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

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

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.

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.

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.

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

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.

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

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

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

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.

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.

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.

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.

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).

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.

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.

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

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.

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.

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)

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.

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.

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.

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

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.

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.

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.

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

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

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.

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

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.

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

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.

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.

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.

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.

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.

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...

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

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.

Effects of deception in social networks

PubMed Central

Iñiguez, Gerardo; Govezensky, Tzipe; Dunbar, Robin; Kaski, Kimmo; Barrio, Rafael A.

2014-01-01

Honesty plays a crucial role in any situation where organisms exchange information or resources. Dishonesty can thus be expected to have damaging effects on social coherence if agents cannot trust the information or goods they receive. However, a distinction is often drawn between prosocial lies (‘white’ lies) and antisocial lying (i.e. deception for personal gain), with the former being considered much less destructive than the latter. We use an agent-based model to show that antisocial lying causes social networks to become increasingly fragmented. Antisocial dishonesty thus places strong constraints on the size and cohesion of social communities, providing a major hurdle that organisms have to overcome (e.g. by evolving counter-deception strategies) in order to evolve large, socially cohesive communities. In contrast, white lies can prove to be beneficial in smoothing the flow of interactions and facilitating a larger, more integrated network. Our results demonstrate that these group-level effects can arise as emergent properties of interactions at the dyadic level. The balance between prosocial and antisocial lies may set constraints on the structure of social networks, and hence the shape of society as a whole. PMID:25056625

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.

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.

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

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.

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…

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.

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.

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

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.

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.

Effects of deception in social networks.

PubMed

Iñiguez, Gerardo; Govezensky, Tzipe; Dunbar, Robin; Kaski, Kimmo; Barrio, Rafael A

2014-09-07

Honesty plays a crucial role in any situation where organisms exchange information or resources. Dishonesty can thus be expected to have damaging effects on social coherence if agents cannot trust the information or goods they receive. However, a distinction is often drawn between prosocial lies ('white' lies) and antisocial lying (i.e. deception for personal gain), with the former being considered much less destructive than the latter. We use an agent-based model to show that antisocial lying causes social networks to become increasingly fragmented. Antisocial dishonesty thus places strong constraints on the size and cohesion of social communities, providing a major hurdle that organisms have to overcome (e.g. by evolving counter-deception strategies) in order to evolve large, socially cohesive communities. In contrast, white lies can prove to be beneficial in smoothing the flow of interactions and facilitating a larger, more integrated network. Our results demonstrate that these group-level effects can arise as emergent properties of interactions at the dyadic level. The balance between prosocial and antisocial lies may set constraints on the structure of social networks, and hence the shape of society as a whole. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

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.

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.

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.

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.

Associations between herd-level factors and lying behavior of freestall-housed dairy cows.

PubMed

Ito, K; Chapinal, N; Weary, D M; von Keyserlingk, M A G

2014-01-01

Our objective was to investigate the associations between herd-level factors and lying behavior of high-producing dairy cows housed in freestall barns. Lying behavior of approximately 40 focal cows in one high-producing pen was monitored on each of 40 farms in the northeastern United States (NE) and 39 farms in California (CA). All cows within the pen were gait scored using a 1-to-5 scale to calculate the prevalence of clinical lameness (score ≥3) and severe lameness (score ≥4). Facility and management measures, including stall design, bedding, and flooring type within the pen, were collected. Herd-level factors associated with daily lying time, standard deviation (SD) of daily lying time, frequency of lying bouts, and lying bout duration at the univariate level were submitted to multivariable general linear models. In the NE, daily lying time increased with the use of deep bedding (estimate = 0.80±0.31h/d) and as average days in milk (DIM) of the focal cows increased (estimate = 0.08±0.04h/d for a 10-d increase in DIM). The SD of daily lying time decreased as stall stocking density increased (estimate = -0.08±0.03h/d for a 10% increase), and increased with the presence of rubber flooring in the pen (estimate = 0.16±0.08h/d) and percentage of stalls with fecal contamination (estimate = 0.04±0.01h/d for a 10% increase). Frequency of lying bouts decreased (estimate = -1.90±0.63 bouts/d) and average bout duration increased (estimate = 15.44±3.02 min) with the use of deep bedding. In CA, where all farms used deep bedding, daily lying time increased as average DIM of the focal cows increased (estimate = 0.08±0.03h/d for a 10-d increase). The SD of daily lying time decreased when feed was delivered more than once per day (estimate = -0.24±0.08h/d). The percentage of lame cows was correlated with the percentage of stalls with fecal contamination (r=0.45), which in turn was associated with fewer (estimate = -0.25±0.06 bouts/d) and longer lying bouts (estimate = 1.85±0.39 min/d). These findings suggest that lying time be interpreted in conjunction with variability in lying time and bout structure and in context with lameness prevalence, production parameters, and facility characteristics. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

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.

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.

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.

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.

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.

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.

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.

Low-lying π∗ resonances associated with cyano groups: A CAP/SAC-CI study

NASA Astrophysics Data System (ADS)

Ehara, Masahiro; Kanazawa, Yuki; Sommerfeld, Thomas

2017-01-01

The complex absorbing potential (CAP)/symmetry-adapted cluster-configuration interaction (SAC-CI) method is applied to low-lying π∗ resonance states of molecules containing one or two cyano (CN) groups. Benchmark calculations are carried out comparing the non-variational and approximate variational approach of SAC-CI and studying the selection threshold of operators. Experimental resonance positions from electron transmission spectroscopy (ETS) are reproduced provided the anticipated deviations due to vibronic effects are taken into account. Moreover, the calculated positions and widths agree well with those obtained in previous electron scattering calculations for HCN, CH3CN and their isonitriles. Based on our results, we suggest a reassignment of the experimental ETS of fumaronitrile and malononitrile. Our present results demonstrate again that the CAP/SAC-CI method reliably predicts low-lying π∗ resonances, and regarding the total numbers of molecules and resonances investigated, it is fair to say that it is presently the most extensively used high-level method in the temporary anion field.

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.

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.

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.

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.

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.

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,…

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.

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.

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.

Low-Rank Discriminant Embedding for Multiview Learning.

PubMed

Li, Jingjing; Wu, Yue; Zhao, Jidong; Lu, Ke

2017-11-01

This paper focuses on the specific problem of multiview learning where samples have the same feature set but different probability distributions, e.g., different viewpoints or different modalities. Since samples lying in different distributions cannot be compared directly, this paper aims to learn a latent subspace shared by multiple views assuming that the input views are generated from this latent subspace. Previous approaches usually learn the common subspace by either maximizing the empirical likelihood, or preserving the geometric structure. However, considering the complementarity between the two objectives, this paper proposes a novel approach, named low-rank discriminant embedding (LRDE), for multiview learning by taking full advantage of both sides. By further considering the duality between data points and features of multiview scene, i.e., data points can be grouped based on their distribution on features, while features can be grouped based on their distribution on the data points, LRDE not only deploys low-rank constraints on both sample level and feature level to dig out the shared factors across different views, but also preserves geometric information in both the ambient sample space and the embedding feature space by designing a novel graph structure under the framework of graph embedding. Finally, LRDE jointly optimizes low-rank representation and graph embedding in a unified framework. Comprehensive experiments in both multiview manner and pairwise manner demonstrate that LRDE performs much better than previous approaches proposed in recent literatures.

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…

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.

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

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.

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

Microscopic study of low-lying spectra of Λ hypernuclei based on a beyond-mean-field approach with a covariant energy density functional

NASA Astrophysics Data System (ADS)

Mei, H.; Hagino, K.; Yao, J. M.; Motoba, T.

2015-06-01

We present a detailed formalism of the microscopic particle-rotor model for hypernuclear low-lying states based on a covariant density functional theory. In this method, the hypernuclear states are constructed by coupling a hyperon to low-lying states of the core nucleus, which are described by the generator coordinate method (GCM) with the particle number and angular momentum projections. We apply this method to study in detail the low-lying spectrum of C13Λ and Ne21Λ hypernuclei. We also briefly discuss the structure of Sm155Λ as an example of heavy deformed hypernuclei. It is shown that the low-lying excitation spectra with positive-parity states of the hypernuclei, which are dominated by Λ hyperon in the s orbital coupled to the core states, are similar to that for the corresponding core states, while the electric quadrupole transition strength, B (E 2 ) , from the 21+ state to the ground state is reduced according to the mass number of the hypernuclei. Our study indicates that the energy splitting between the first 1 /2- and 3 /2- hypernuclear states is generally small for all the hypernuclei which we study. However, their configurations depend much on the properties of a core nucleus, in particular on the sign of deformation parameter. That is, the first 1 /2- and 3 /2- states in Λ13C are dominated by a single configuration with Λ particle in the p -wave orbits and thus provide good candidates for a study of the Λ spin-orbit splitting. On the other hand, those states in the other hypernuclei exhibit a large configuration mixing and thus their energy difference cannot be interpreted as the spin-orbit splitting for the p orbits.

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

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

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.

Particle-like structure of coaxial Lie algebras

NASA Astrophysics Data System (ADS)

Vinogradov, A. M.

2018-01-01

This paper is a natural continuation of Vinogradov [J. Math. Phys. 58, 071703 (2017)] where we proved that any Lie algebra over an algebraically closed field or over R can be assembled in a number of steps from two elementary constituents, called dyons and triadons. Here we consider the problems of the construction and classification of those Lie algebras which can be assembled in one step from base dyons and triadons, called coaxial Lie algebras. The base dyons and triadons are Lie algebra structures that have only one non-trivial structure constant in a given basis, while coaxial Lie algebras are linear combinations of pairwise compatible base dyons and triadons. We describe the maximal families of pairwise compatible base dyons and triadons called clusters, and, as a consequence, we give a complete description of the coaxial Lie algebras. The remarkable fact is that dyons and triadons in clusters are self-organised in structural groups which are surrounded by casings and linked by connectives. We discuss generalisations and applications to the theory of deformations of Lie algebras.

Studies of positive-parity low-spin states in the A = 150 region

NASA Astrophysics Data System (ADS)

Bark, Robert; Li, Zhipan; Majola, Siyabonga; Sharpey-Schafer, John; Shi, Zhi; Zhang, Shuangquan

2018-05-01

A systematic investigation of low-lying levels of nuclides in the mass 150 region has been undertaken at iThemba LABS. An extensive set of data on the low-lying, positive-parity bands in the nuclides between N = 88 and 92 and Sm to Yb has been obtained from γ-γ coincidence measurements following fusion-evaporation reactions optimized of the population of low-spin states. The energies and electromagnetic properties of the so-called β- and γ-bands of nuclei in this region have been compared with the solutions of a five dimensional collective Hamiltonian for quadrupole vibrational and rotational degrees of freedom, with moments-of-inertia and mass parameters determined by constrained self-consistent relativistic mean-field calculations using the PC-F1 relativistic functional. Some of the results of this comparison are presented here.

Spectroscopic Factors of low-lying levels in 18Ne

NASA Astrophysics Data System (ADS)

O'Malley, Patrick; Allen, Jacob; Bardayan, Dan; Becchetti, Fred; Cizewski, Jolie; Febbraro, Michael; Hall, Matthew; Jones, Kate; Grzywacz, Robert; Paulauaskas, Stan; Smith, Karl; Thornsberry, Cory

2017-09-01

Much effort has been made to understand the origins of 18F in novae. Due to its relatively long half-life, 18F can survive until nova envelope is transparent, and therefore can provide a sensitive diagnostic of nova nucleosynthesis. It is likely produced through the beta decay of 18Ne, which is itself primarily produced through the 17F(p,gamma) reaction. Understanding the direct capture to the 17F(p,gamma) reaction is important to accurately model it. As such, the spectroscopic strengths of low-lying levels in 18Ne are needed. At the University of Notre Dame a measurement of the 17F(d,n) reaction has been performed using a beam produced by the TwinSol low energy radioactive ion beam facility. The neutrons were neutrons were detected using a combination of Versatile Array of Neutron Detectors (VANDLE) and UoM Deuterated Scintillator Array (UMDSA). Data will be shown and results discussed. Research supported by U.S. DOE and NSF.

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.

Invariant Poisson-Nijenhuis structures on Lie groups and classification

NASA Astrophysics Data System (ADS)

Ravanpak, Zohreh; Rezaei-Aghdam, Adel; Haghighatdoost, Ghorbanali

We study right-invariant (respectively, left-invariant) Poisson-Nijenhuis structures (P-N) on a Lie group G and introduce their infinitesimal counterpart, the so-called r-n structures on the corresponding Lie algebra 𝔤. We show that r-n structures can be used to find compatible solutions of the classical Yang-Baxter equation (CYBE). Conversely, two compatible r-matrices from which one is invertible determine an r-n structure. We classify, up to a natural equivalence, all r-matrices and all r-n structures with invertible r on four-dimensional symplectic real Lie algebras. The result is applied to show that a number of dynamical systems which can be constructed by r-matrices on a phase space whose symmetry group is Lie group a G, can be specifically determined.

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

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.

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.

Atiyah classes and dg-Lie algebroids for matched pairs

NASA Astrophysics Data System (ADS)

Batakidis, Panagiotis; Voglaire, Yannick

2018-01-01

For every Lie pair (L , A) of algebroids we construct a dg-manifold structure on the Z-graded manifold M = L [ 1 ] ⊕ L / A such that the inclusion ι : A [ 1 ] → M and the projection p : M → L [ 1 ] are morphisms of dg-manifolds. The vertical tangent bundle Tp M then inherits a structure of dg-Lie algebroid over M. When the Lie pair comes from a matched pair of Lie algebroids, we show that the inclusion ι induces a quasi-isomorphism that sends the Atiyah class of this dg-Lie algebroid to the Atiyah class of the Lie pair. We also show how (Atiyah classes of) Lie pairs and dg-Lie algebroids give rise to (Atiyah classes of) dDG-algebras.

A theoretical study of bond selective photochemistry in CH2BrI

NASA Astrophysics Data System (ADS)

Liu, Kun; Zhao, Hongmei; Wang, Caixia; Zhang, Aihua; Ma, Siyu; Li, Zonghe

2005-01-01

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 electronic structures at Franck-Condon points, and bond selectivity are discussed.

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.

Faculty Salaries and the Personnel Structure of Institutions.

ERIC Educational Resources Information Center

Sagen, H. Bradley

Internal determinants of college faculty salary levels are discussed. It is argued that the task of maintaining faculty compensation at an adequate level is affected considerably by the nature of the faculty personnel systems, particularly the system of faculty rank and its relationship to pay. The basic dilemma lies in the way the faculty is…

Towards Accurate Ab Initio Predictions of the Spectrum of Methane

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Kwak, Dochan (Technical Monitor)

2001-01-01

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.

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.

An analysis of fracture trace patterns in areas of flat-lying sedimentary rocks for the detection of buried geologic structure. [Kansas and Texas

NASA Technical Reports Server (NTRS)

Podwysocki, M. H.

1974-01-01

Two study areas in a cratonic platform underlain by flat-lying sedimentary rocks were analyzed to determine if a quantitative relationship exists between fracture trace patterns and their frequency distributions and subsurface structural closures which might contain petroleum. Fracture trace lengths and frequency (number of fracture traces per unit area) were analyzed by trend surface analysis and length frequency distributions also were compared to a standard Gaussian distribution. Composite rose diagrams of fracture traces were analyzed using a multivariate analysis method which grouped or clustered the rose diagrams and their respective areas on the basis of the behavior of the rays of the rose diagram. Analysis indicates that the lengths of fracture traces are log-normally distributed according to the mapping technique used. Fracture trace frequency appeared higher on the flanks of active structures and lower around passive reef structures. Fracture trace log-mean lengths were shorter over several types of structures, perhaps due to increased fracturing and subsequent erosion. Analysis of rose diagrams using a multivariate technique indicated lithology as the primary control for the lower grouping levels. Groupings at higher levels indicated that areas overlying active structures may be isolated from their neighbors by this technique while passive structures showed no differences which could be isolated.

Hidden symmetries and Lie algebra structures from geometric and supergravity Killing spinors

NASA Astrophysics Data System (ADS)

Açık, Özgür; Ertem, Ümit

2016-08-01

We consider geometric and supergravity Killing spinors and the spinor bilinears constructed out of them. The spinor bilinears of geometric Killing spinors correspond to the antisymmetric generalizations of Killing vector fields which are called Killing-Yano forms. They constitute a Lie superalgebra structure in constant curvature spacetimes. We show that the Dirac currents of geometric Killing spinors satisfy a Lie algebra structure up to a condition on 2-form spinor bilinears. We propose that the spinor bilinears of supergravity Killing spinors give way to different generalizations of Killing vector fields to higher degree forms. It is also shown that those supergravity Killing forms constitute a Lie algebra structure in six- and ten-dimensional cases. For five- and eleven-dimensional cases, the Lie algebra structure depends on an extra condition on supergravity Killing forms.

Shape Evolution in Neutron-Rich Krypton Isotopes Beyond N =60 : First Spectroscopy of Kr,10098

NASA Astrophysics Data System (ADS)

Flavigny, F.; Doornenbal, P.; Obertelli, A.; Delaroche, J.-P.; Girod, M.; Libert, J.; Rodriguez, T. R.; Authelet, G.; Baba, H.; Calvet, D.; Château, F.; Chen, S.; Corsi, A.; Delbart, A.; Gheller, J.-M.; Giganon, A.; Gillibert, A.; Lapoux, V.; Motobayashi, T.; Niikura, M.; Paul, N.; Roussé, J.-Y.; Sakurai, H.; Santamaria, C.; Steppenbeck, D.; Taniuchi, R.; Uesaka, T.; Ando, T.; Arici, T.; Blazhev, A.; Browne, F.; Bruce, A.; Carroll, R.; Chung, L. X.; Cortés, M. L.; Dewald, M.; Ding, B.; Franchoo, S.; Górska, M.; Gottardo, A.; Jungclaus, A.; Lee, J.; Lettmann, M.; Linh, B. D.; Liu, J.; Liu, Z.; Lizarazo, C.; Momiyama, S.; Moschner, K.; Nagamine, S.; Nakatsuka, N.; Nita, C.; Nobs, C. R.; Olivier, L.; Orlandi, R.; Patel, Z.; Podolyák, Zs.; Rudigier, M.; Saito, T.; Shand, C.; Söderström, P. A.; Stefan, I.; Vaquero, V.; Werner, V.; Wimmer, K.; Xu, Z.

2017-06-01

We report on the first γ -ray spectroscopy of low-lying states in neutron-rich Kr,10098 isotopes obtained from Rb,10199(p ,2 p ) reactions at ˜220 MeV /nucleon . A reduction of the 21+ state energies beyond N =60 demonstrates a significant increase of deformation, shifted in neutron number compared to the sharper transition observed in strontium and zirconium isotopes. State-of-the-art beyond-mean-field calculations using the Gogny D1S interaction predict level energies in good agreement with experimental results. The identification of a low-lying (02+, 22+) state in Kr 98 provides the first experimental evidence of a competing configuration at low energy in neutron-rich krypton isotopes consistent with the oblate-prolate shape coexistence picture suggested by theory.

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.

Study of the β- decay of 116m1In: A new interpretation of low-lying 0+ states in 116Sn

NASA Astrophysics Data System (ADS)

Pore, J. L.; Cross, D. S.; Andreoiu, C.; Ashley, R.; Ball, G. C.; Bender, P. C.; Chester, A. S.; Diaz Varela, A.; Demand, G. A.; Dunlop, R.; Garnsworthy, A. B.; Garrett, P. E.; Hackman, G.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A. T.; Liblong, A.; Kanungo, R.; Noakes, B.; Petrache, C. M.; Rajabali, M. M.; Starosta, K.; Svensson, C. E.; Voss, P. J.; Wang, Z. M.; Wood, J. L.; Yates, S. W.

2017-02-01

The 116Sn nucleus contains a collective rotational band originating from proton π 2 p-2 h excitations across the proton Z=50 shell gap. Even though this nucleus has been extensively investigated in the past, there was still missing information on the low-energy interband transitions connecting the intruder and normal structures. The low-lying structure of 116Sn was investigated through a high-statistics study of the β- decay of 116m1In with the 8π spectrometer and its ancillary detectors at TRIUMF. These measurements are critical in order to properly characterize the π 2 p-2 h rotational band. Weak γ-decay branches are observed utilizing γ-γ coincidence spectroscopy methods, leading to the first direct observation of the 85 keV 22+→ 03+ γ ray with a transition strength of B(E2) = 99.7(84) W.u. The analysis of these results strongly suggests that the 2027 keV 03+ state should replace the previously assigned 1757 keV 02+ state as the band-head of the π 2 p-2 h rotational band.

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

Shear wave velocity variation across the Taupo Volcanic Zone, New Zealand, from receiver function inversion

USGS Publications Warehouse

Bannister, S.; Bryan, C.J.; Bibby, H.M.

2004-01-01

The Taupo Volcanic Zone (TVZ), New Zealand is a region characterized by very high magma eruption rates and extremely high heat flow, which is manifest in high-temperature geothermal waters. The shear wave velocity structure across the region is inferred using non-linear inversion of receiver functions, which were derived from teleseismic earthquake data. Results from the non-linear inversion, and from forward synthetic modelling, indicate low S velocities at ???6- 16 km depth near the Rotorua and Reporoa calderas. We infer these low-velocity layers to represent the presence of high-level bodies of partial melt associated with the volcanism. Receiver functions at other stations are complicated by reverberations associated with near-surface sedimentary layers. The receiver function data also indicate that the Moho lies between 25 and 30 km, deeper than the 15 ?? 2 km depth previously inferred for the crust-mantle boundary beneath the TVZ. ?? 2004 RAS.

On the Ground Electronic States of TiF and TiCl

NASA Astrophysics Data System (ADS)

Boldyrev, Alexander I.; Simons, Jack

1998-04-01

The low-lying electronic states of TiF and TiCl have been studied using high levelab initiotechniques. Both are found to have two low-lying excited electronic states,4Σ-(0.080 eV (TiF) and 0.236 eV (TiCl)) and2Δ (0.266 eV (TiF) and 0.348 eV (TiCl)), and4Φ ground states at the highest CCSD(T)/6-311++G(2d,2f) level of theory. Our theoretical predictions of4Φ 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.

The low-lying quartet electronic states of group 14 diatomic borides XB (X = C, Si, Ge, Sn, Pb)

NASA Astrophysics Data System (ADS)

Pontes, Marcelo A. P.; de Oliveira, Marcos H.; Fernandes, Gabriel F. S.; Da Motta Neto, Joaquim D.; Ferrão, Luiz F. A.; Machado, Francisco B. C.

2018-04-01

The present work focuses in the characterization of the low-lying quartet electronic and spin-orbit states of diatomic borides XB, in which X is an element of group 14 (C, Si, Ge, Sn, PB). The wavefunction was obtained at the CASSCF/MRCI level with a quintuple-ζ quality basis set. Scalar relativistic effects were also taken into account. A systematic and comparative analysis of the spectroscopic properties for the title molecular series was carried out, showing that the (1)4Π→X4Σ- transition band is expected to be measurable by emission spectroscopy to the GeB, SnB and PbB molecules, as already observed for the lighter CB and SiB species.

On the low-lying states of TiC

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.; Siegbahn, P. E. M.

1984-01-01

The ground and low-lying excited states of TiC are investigated using a CASSCF-externally contracted CI approach. The calculations yield a 3Sigma(+) ground state, but the 1Sigma(+) state is only 780/cm higher and cannot be ruled out. The low-lying states have some triple bond character. The nature of the bonding and origin of the states are discussed.

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.

Segmentation of plate coupling, fate of subduction fluids, and modes of arc magmatism in Cascadia, inferred from magnetotelluric resistivity

USGS Publications Warehouse

Wannamaker, Philip E.; Evans, Rob L.; Bedrosian, Paul A.; Unsworth, Martyn J.; Maris, Virginie; McGary, R. Shane

2014-01-01

Five magnetotelluric (MT) profiles have been acquired across the Cascadia subduction system and transformed using 2-D and 3-D nonlinear inversion to yield electrical resistivity cross sections to depths of ∼200 km. Distinct changes in plate coupling, subduction fluid evolution, and modes of arc magmatism along the length of Cascadia are clearly expressed in the resistivity structure. Relatively high resistivities under the coasts of northern and southern Cascadia correlate with elevated degrees of inferred plate locking, and suggest fluid- and sediment-deficient conditions. In contrast, the north-central Oregon coastal structure is quite conductive from the plate interface to shallow depths offshore, correlating with poor plate locking and the possible presence of subducted sediments. Low-resistivity fluidized zones develop at slab depths of 35–40 km starting ∼100 km west of the arc on all profiles, and are interpreted to represent prograde metamorphic fluid release from the subducting slab. The fluids rise to forearc Moho levels, and sometimes shallower, as the arc is approached. The zones begin close to clusters of low-frequency earthquakes, suggesting fluid controls on the transition to steady sliding. Under the northern and southern Cascadia arc segments, low upper mantle resistivities are consistent with flux melting above the slab plus possible deep convective backarc upwelling toward the arc. In central Cascadia, extensional deformation is interpreted to segregate upper mantle melts leading to underplating and low resistivities at Moho to lower crustal levels below the arc and nearby backarc. The low- to high-temperature mantle wedge transition lies slightly trenchward of the arc.

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

Assessing sea-level rise impact on saltwater intrusion into the root zone of a geo-typical area in coastal east-central Florida.

PubMed

Xiao, Han; Wang, Dingbao; Medeiros, Stephen C; Hagen, Scott C; Hall, Carlton R

2018-07-15

Saltwater intrusion (SWI) into root zone in low-lying coastal areas can affect the survival and spatial distribution of various vegetation species by altering plant communities and the wildlife habitats they support. In this study, a baseline model was developed based on FEMWATER to simulate the monthly variation of root zone salinity of a geo-typical area located at the Cape Canaveral Barrier Island Complex (CCBIC) of coastal east-central Florida (USA) in 2010. Based on the developed and calibrated baseline model, three diagnostic FEMWATER models were developed to predict the extent of SWI into root zone by modifying the boundary values representing the rising sea level based on various sea-level rise (SLR) scenarios projected for 2080. The simulation results indicated that the extent of SWI would be insignificant if SLR is either low (23.4cm) or intermediate (59.0cm), but would be significant if SLR is high (119.5cm) in that infiltration/diffusion of overtopping seawater in coastal low-lying areas can greatly increase root zone salinity level, since the sand dunes may fail to prevent the landward migration of seawater because the waves of the rising sea level can reach and pass over the crest under high (119.5cm) SLR scenario. Copyright © 2018 Elsevier B.V. All rights reserved.

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.

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.

Energy and Spectroscopic Characterization of the Isomers of C4H3-, C6H3-, and C6H5-

NASA Technical Reports Server (NTRS)

Wright, Danielle; Bera, Partha P.; Lee, Timothy J.

2015-01-01

Organic and inorganic molecules, neutral and ions have been observed in the interstellar medium. A few anions of organic molecules have also been observed recently. The Cassini spacecraft in the upper atmosphere of Titan has observed anions of large organic molecules. In this project we have studied the physical and spectroscopic properties of C4H3-, C6H3-, and C6H5-. We have optimized the geometrical structures of all low-lying isomers of the anions, calculated rotational, and harmonic vibrational frequencies of the anions mentioned above using the B3LYP density functional along with the augmented correlation consistent polar valence triple zeta (aug-cc-pVTZ) basis set. We have found many low-lying isomers on the potential energy surface of these anions.

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.

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

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

Experimental Evidence of Low Density Liquid Water under Decompression

NASA Astrophysics Data System (ADS)

Shen, G.; Lin, C.; Sinogeikin, S. V.; Smith, J.

2017-12-01

Water is not only the most important substance for life, but also plays important roles in liquid science for its anomalous properties. It has been widely accepted that water's anomalies are not a result of simple thermal fluctuation, but are connected to the formation of various structural aggregates in the hydrogen bonding network. Among several proposed scenarios, one model of fluctuations between two different liquids has gradually gained traction. These two liquids are referred to as a low-density liquid (LDL) and a high-density liquid (HDL) with a coexistence line in the deeply supercooled regime at elevated pressure. The LDL-HDL transition ends with decreasing pressure at a liquid-liquid critical point (LLCP) with its Widom line extending to low pressures. Above the Widom line lies mostly HDL which is favored by entropy, while LDL, mostly lying below the Widom line, is favored by enthalpy in the tetrahedral hydrogen bonding network. The origin of water's anomalies can then be explained by the increase in structural fluctuations, as water is cooled down to deeply supercooled temperatures approaching the Widom line. Because both the LLCP and the LDL-HDL transition line lie in water's "no man's land" between the homogeneous nucleation temperature (TH, 232 K) and the crystallization temperature (TX, 150 K), the success of experiments exploring this region has been limited thus far. Using a rapid decompression technique integrated with in situ x-ray diffraction, we observe that a high-pressure ice phase transforms to a low-density noncrystalline (LDN) form upon rapid release of pressure at temperatures of 140-165K. The LDN subsequently crystallizes into ice-Ic through a diffusion-controlled process. The change in crystallization rate with temperature indicates that the LDN is a LDL with its tetrahedrally-coordinated network fully developed and clearly linked to low-density amorphous ices. The observation of the tetrahedral LDL supports the two-liquid model for water including the existence of a LLCP.

Photon Strength Function at Low Energies in 95Mo

DOE PAGES

Wiedeking, M.; Bernstein, L. A.; Allmond, J. M.; ...

2014-05-01

A new and model-independent experimental method has been developed to determine the energy dependence of the photon strength function. It is designed to study statistical feeding from the quasi continuum to individual low-lying discrete levels. This new technique is presented and results for 95Mo are compared to data from the University of Oslo. In particular, questions regarding the existence of the low-energy enhancement in the photon strength function are addressed.

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.

Pygmy dipole mode in deformed neutron-rich Mg isotopes close to the drip line

NASA Astrophysics Data System (ADS)

Yoshida, Kenichi

2009-10-01

We investigate the microscopic structure of the low-lying isovector-dipole excitation mode in neutron-rich Mg36,38,40 close to the drip line by means of the deformed quasiparticle random-phase approximation employing the Skyrme and the local pairing energy-density functionals. It is found that the low-lying bump structure above the neutron emission-threshold energy develops when the drip line is approached, and that the isovector dipole strength at Ex<10 MeV exhausts about 6.0% of the classical Thomas-Reiche-Kuhn dipole sum rule in Mg40. We obtained the collective dipole modes at around 8-10 MeV in Mg isotopes, that consist of many two-quasiparticle excitations of the neutron. The transition density clearly shows an oscillation of the neutron skin against the isoscalar core. We found significant coupling effects between the dipole and octupole excitation modes due to the nuclear deformation. It is also found that the responses for the compressional dipole and isoscalar octupole excitations are much enhanced in the lower energy region.

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.

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.

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.

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.

Radiative lifetime and energy of the low-energy isomeric level in 229Th

NASA Astrophysics Data System (ADS)

Tkalya, E. V.; Schneider, Christian; Jeet, Justin; Hudson, Eric R.

2015-11-01

We estimate the range of the radiative lifetime and energy of the anomalous, low-energy 3 /2+(7.8 ±0.5 eV) state in the 229Th nucleus. Our phenomenological calculations are based on the available experimental data for the intensities of M 1 and E 2 transitions between excited levels of the 229Th nucleus in the Kπ[N nZΛ ] =5 /2+[633 ] and 3 /2+[631 ] rotational bands. We also discuss the influence of certain branching coefficients, which affect the currently accepted measured energy of the isomeric state. From this work, we establish a favored region, 0.66 ×106seV3/ω3≤τ ≤2.2 ×106seV3/ω3 , where the transition lifetime τ as a function of transition energy ω should lie at roughly the 95% confidence level. Together with the result of Beck et al. [LLNL-PROC-415170 (2009)], we establish a favored area where transition lifetime and energy should lie at roughly the 90% confidence level. We also suggest new nuclear physics measurements, which would significantly reduce the ambiguity in the present data.

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.

Spectroscopy of the odd-odd fp-shell nucleus {sup 52}Sc from secondary fragmentation

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

Gade, A.; Bazin, D.; Mueller, W.F.

2006-03-15

The odd-odd fp-shell nucleus {sup 52}Sc was investigated using in-beam {gamma}-ray spectroscopy following secondary fragmentation of a {sup 55}V and {sup 57}Cr cocktail beam. Aside from the known {gamma}-ray transition at 674(5) keV, a new decay at E{sub {gamma}}=212(3) keV was observed. It is attributed to the depopulation of a low-lying excited level. This new state is discussed in the framework of shell-model calculations with the GXPF1, GXPF1A, and KB3G effective interactions. These calculations are found to be fairly robust for the low-lying level scheme of {sup 52}Sc irrespective of the choice of the effective interaction. In addition, the frequencymore » of spin values predicted by the shell model is successfully modeled by a spin distribution formulated in a statistical approach with an empirical, energy-independent spin-cutoff parameter.« less

Shell evolution beyond Z = 28 and N = 50: Spectroscopy of 81,82,83,84Zn

NASA Astrophysics Data System (ADS)

Shand, C. M.; Podolyák, Zs.; Górska, M.; Doornenbal, P.; Obertelli, A.; Nowacki, F.; Otsuka, T.; Sieja, K.; Tostevin, J. A.; Tsunoda, Y.; Authelet, G.; Baba, H.; Calvet, D.; Château, A.; Chen, S.; Corsi, A.; Delbart, A.; Gheller, J. M.; Giganon, A.; Gillibert, A.; Isobe, T.; Lapoux, V.; Matsushita, M.; Momiyama, S.; Motobayashi, T.; Niikura, M.; Otsu, H.; Paul, N.; Péron, C.; Peyaud, A.; Pollacco, E. C.; Roussé, J.-Y.; Sakurai, H.; Santamaria, C.; Sasano, M.; Shiga, Y.; Steppenbeck, D.; Takeuchi, S.; Taniuchi, R.; Uesaka, T.; Wang, H.; Yoneda, K.; Ando, T.; Arici, T.; Blazhev, A.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chung, L. X.; Cortés, M. L.; Dewald, M.; Ding, B.; Dombrádi, Zs.; Flavigny, F.; Franchoo, S.; Giacoppo, F.; Gottardo, A.; Hadyńska-Klęk, K.; Jungclaus, A.; Korkulu, Z.; Koyama, S.; Kubota, Y.; Lee, J.; Lettmann, M.; Linh, B. D.; Liu, J.; Liu, Z.; Lizarazo, C.; Louchart, C.; Lozeva, R.; Matsui, K.; Miyazaki, T.; Moschner, K.; Nagamine, M.; Nakatsuka, N.; Nishimura, S.; Nita, C. R.; Nobs, C. R.; Olivier, L.; Ota, S.; Orlandi, R.; Patel, Z.; Regan, P. H.; Rudigier, M.; Şahin, E.; Saito, T.; Söderström, P.-A.; Stefan, I.; Sumikama, T.; Suzuki, D.; Vajta, Zs.; Vaquero, V.; Werner, V.; Wimmer, K.; Wu, J.; Xu, Z. Y.

2017-10-01

We report on the measurement of new low-lying states in the neutron-rich 81,82,83,84Zn nuclei via in-beam γ-ray spectroscopy. These include the 41+ → 21+ transition in 82Zn, the 21+ → 0g.s.+ and 41+ → 21+ transitions in 84Zn, and low-lying states in 81,83Zn were observed for the first time. The reduced E ( 21+) energies and increased E (41+) / E (2+1) ratios at N = 52, 54 compared to those in 80Zn attest that the magicity is confined to the neutron number N = 50 only. The deduced level schemes are compared to three state-of-the-art shell model calculations and a good agreement is observed with all three calculations. The newly observed 2+ and 4+ levels in 84Zn suggest the onset of deformation towards heavier Zn isotopes, which has been incorporated by taking into account the upper sdg orbitals in the Ni78-II and the PFSDG-U models.

Photon strength and the low-energy enhancement

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

Wiedeking, M.; Bernstein, L. A.; Bleuel, D. L.

2014-08-14

Several measurements in medium mass nuclei have reported a low-energy enhancement in the photon strength function. Although, much effort has been invested in unraveling the mysteries of this effect, its physical origin is still not conclusively understood. Here, a completely model-independent experimental approach to investigate the existence of this enhancement is presented. The experiment was designed to study statistical feeding from the quasi-continuum (below the neutron separation energy) to individual low-lying discrete levels in {sup 95}Mo produced in the (d, p) reaction. A key aspect to successfully study gamma decay from the region of high-level density is the detection andmore » extraction of correlated particle-gamma-gamma events which was accomplished using an array of Clover HPGe detectors and large area annular silicon detectors. The entrance channel excitation energy into the residual nucleus produced in the reaction was inferred from the detected proton energies in the silicon detectors. Gating on gamma-transitions originating from low-lying discrete levels specifies the state fed by statistical gamma-rays. Any particle-gamma-gamma event in combination with specific energy sum requirements ensures a clean and unambiguous determination of the initial and final state of the observed gamma rays. With these requirements the statistical feeding to individual discrete levels is extracted on an event-by-event basis. The results are presented and compared to {sup 95}Mo photon strength function data measured at the University of Oslo.« less

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.

The Pfi-Zeke Spectroscopy Study of HfS+ and the Ionization Energy of HfS

NASA Astrophysics Data System (ADS)

Antonov, I. O.; Barker, B. J.; Heaven, M. C.

2011-06-01

Spectroscopic data for the ground and low-lying states HfS+ have been obtained using the technique of pulse field ionization - zero electron kinetic energy (PFI-ZEKE) spectroscopy. PFI-ZEKE spectra were recorded for the levels X2Σ+ (v=0-18), 2Δ5/2 (v=0-8) and 2Δ3/2 (v=0-3). Assignments of the electronically excited states of HfS+ are based on CCSD(T) and DFT calculations with SDB-aug-cc-pVTZ basis set. Rotationally resolved spectra were recorded for the X2Σ+ (v=0) state using single rotational line excitation of the intermediate state. The ionization energy for HfS, term energies and molecular constants for the ground and low-lying states of HfS+ will be reported.

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

Assessing the impacts of sea-level rise and precipitation change on the surficial aquifer in the low-lying coastal alluvial plains and barrier islands, east-central Florida (USA)

NASA Astrophysics Data System (ADS)

Xiao, Han; Wang, Dingbao; Hagen, Scott C.; Medeiros, Stephen C.; Hall, Carlton R.

2016-11-01

A three-dimensional variable-density groundwater flow and salinity transport model is implemented using the SEAWAT code to quantify the spatial variation of water-table depth and salinity of the surficial aquifer in Merritt Island and Cape Canaveral Island in east-central Florida (USA) under steady-state 2010 hydrologic and hydrogeologic conditions. The developed model is referred to as the `reference' model and calibrated against field-measured groundwater levels and a map of land use and land cover. Then, five prediction/projection models are developed based on modification of the boundary conditions of the calibrated `reference' model to quantify climate change impacts under various scenarios of sea-level rise and precipitation change projected to 2050. Model results indicate that west Merritt Island will encounter lowland inundation and saltwater intrusion due to its low elevation and flat topography, while climate change impacts on Cape Canaveral Island and east Merritt Island are not significant. The SEAWAT models developed for this study are useful and effective tools for water resources management, land use planning, and climate-change adaptation decision-making in these and other low-lying coastal alluvial plains and barrier island systems.

Predictors of children's prosocial lie-telling: Motivation, socialization variables, and moral understanding.

PubMed

Popliger, Mina; Talwar, Victoria; Crossman, Angela

2011-11-01

Children tell prosocial lies for self- and other-oriented reasons. However, it is unclear how motivational and socialization factors affect their lying. Furthermore, it is unclear whether children's moral understanding and evaluations of prosocial lie scenarios (including perceptions of vignette characters' feelings) predict their actual prosocial behaviors. These were explored in two studies. In Study 1, 72 children (36 second graders and 36 fourth graders) participated in a disappointing gift paradigm in either a high-cost condition (lost a good gift for a disappointing one) or a low-cost condition (received a disappointing gift). More children lied in the low-cost condition (94%) than in the high-cost condition (72%), with no age difference. In Study 2, 117 children (42 preschoolers, 41 early elementary school age, and 34 late elementary school age) participated in either a high- or low-cost disappointing gift paradigm and responded to prosocial vignette scenarios. Parents reported on their parenting practices and family emotional expressivity. Again, more children lied in the low-cost condition (68%) than in the high-cost condition (40%); however, there was an age effect among children in the high-cost condition. Preschoolers were less likely than older children to lie when there was a high personal cost. In addition, compared with truth-tellers, prosocial liars had parents who were more authoritative but expressed less positive emotion within the family. Finally, there was an interaction between children's prosocial lie-telling behavior and their evaluations of the protagonist's and recipient's feelings. Findings contribute to understanding the trajectory of children's prosocial lie-telling, their reasons for telling such lies, and their knowledge about interpersonal communication. Copyright © 2011 Elsevier Inc. All rights reserved.

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.

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.

On the Storm Surge and Sea Level Rise Projections for Infrastructure Risk Analysis and Adaptation

EPA Science Inventory

Storm surge can cause coastal hydrology changes, flooding, water quality changes, and even inundation of low-lying terrain. Strong wave actions and disruptive winds can damage water infrastructure and other environmental assets (hazardous and solid waste management facilities, w...

Nanowire electron scattering spectroscopy

NASA Technical Reports Server (NTRS)

Hunt, Brian D. (Inventor); Bronikowski, Michael (Inventor); Wong, Eric W. (Inventor); von Allmen, Paul (Inventor); Oyafuso, Fabiano A. (Inventor)

2009-01-01

Methods and devices for spectroscopic identification of molecules using nanoscale wires are disclosed. According to one of the methods, nanoscale wires are provided, electrons are injected into the nanoscale wire; and inelastic electron scattering is measured via excitation of low-lying vibrational energy levels of molecules bound to the nanoscale wire.

Probing Electrochemical Adsorbate Structure and Reactions with In-Situ Atomic-Resolution Scanning Microscopy: Some Progress and Prospects

DTIC Science & Technology

1992-10-01

organized into hexagonal patterns, but unlike the monoatomic iodine adlayers noted above the close-packed atomic strings tend to lie along the gold ...adsorbate systems. Illustrative results of the former type are presented for the potential-dependent adsorption of iodide at low-index gold electrodes. The...presented for the potential-dependent adsorption of iodide at low-index gold electrodes. The virtues of acquiring "composite-domain" STM images, where

Most atolls will be uninhabitable by the mid-21st century because of sea-level rise exacerbating wave-driven flooding

USGS Publications Warehouse

Storlazzi, Curt; Gingerich, Stephen B.; van Dongeren, Ap; Cheriton, Olivia; Swarzenski, Peter W.; Quataert, Ellen; Voss, Clifford I.; Field, Donald W.; Annamalai, Hariharasubramanian; Piniak, Greg A.; McCall, Robert T.

2018-01-01

Sea levels are rising, with the highest rates in the tropics, where thousands of low-lying coral atoll islands are located. Most studies on the resilience of these islands to sea-level rise have projected that they will experience minimal inundation impacts until at least the end of the 21st century. However, these have not taken into account the additional hazard of wave-driven overwash or its impact on freshwater availability. We project the impact of sea-level rise and wave-driven flooding on atoll infrastructure and freshwater availability under a variety of climate change scenarios. We show that, on the basis of current greenhouse gas emission rates, the nonlinear interactions between sea-level rise and wave dynamics over reefs will lead to the annual wave-driven overwash of most atoll islands by the mid-21st century. This annual flooding will result in the islands becoming uninhabitable because of frequent damage to infrastructure and the inability of their freshwater aquifers to recover between overwash events. This study provides critical information for understanding the timing and magnitude of climate change impacts on atoll islands that will result in significant, unavoidable geopolitical issues if it becomes necessary to abandon and relocate low-lying island states.

Most atolls will be uninhabitable by the mid-21st century because of sea-level rise exacerbating wave-driven flooding.

PubMed

Storlazzi, Curt D; Gingerich, Stephen B; van Dongeren, Ap; Cheriton, Olivia M; Swarzenski, Peter W; Quataert, Ellen; Voss, Clifford I; Field, Donald W; Annamalai, Hariharasubramanian; Piniak, Greg A; McCall, Robert

2018-04-01

Sea levels are rising, with the highest rates in the tropics, where thousands of low-lying coral atoll islands are located. Most studies on the resilience of these islands to sea-level rise have projected that they will experience minimal inundation impacts until at least the end of the 21st century. However, these have not taken into account the additional hazard of wave-driven overwash or its impact on freshwater availability. We project the impact of sea-level rise and wave-driven flooding on atoll infrastructure and freshwater availability under a variety of climate change scenarios. We show that, on the basis of current greenhouse gas emission rates, the nonlinear interactions between sea-level rise and wave dynamics over reefs will lead to the annual wave-driven overwash of most atoll islands by the mid-21st century. This annual flooding will result in the islands becoming uninhabitable because of frequent damage to infrastructure and the inability of their freshwater aquifers to recover between overwash events. This study provides critical information for understanding the timing and magnitude of climate change impacts on atoll islands that will result in significant, unavoidable geopolitical issues if it becomes necessary to abandon and relocate low-lying island states.

Most atolls will be uninhabitable by the mid-21st century because of sea-level rise exacerbating wave-driven flooding

PubMed Central

2018-01-01

Sea levels are rising, with the highest rates in the tropics, where thousands of low-lying coral atoll islands are located. Most studies on the resilience of these islands to sea-level rise have projected that they will experience minimal inundation impacts until at least the end of the 21st century. However, these have not taken into account the additional hazard of wave-driven overwash or its impact on freshwater availability. We project the impact of sea-level rise and wave-driven flooding on atoll infrastructure and freshwater availability under a variety of climate change scenarios. We show that, on the basis of current greenhouse gas emission rates, the nonlinear interactions between sea-level rise and wave dynamics over reefs will lead to the annual wave-driven overwash of most atoll islands by the mid-21st century. This annual flooding will result in the islands becoming uninhabitable because of frequent damage to infrastructure and the inability of their freshwater aquifers to recover between overwash events. This study provides critical information for understanding the timing and magnitude of climate change impacts on atoll islands that will result in significant, unavoidable geopolitical issues if it becomes necessary to abandon and relocate low-lying island states. PMID:29707635

Operational flood control of a low-lying delta system using large time step Model Predictive Control

NASA Astrophysics Data System (ADS)

Tian, Xin; van Overloop, Peter-Jules; Negenborn, Rudy R.; van de Giesen, Nick

2015-01-01

The safety of low-lying deltas is threatened not only by riverine flooding but by storm-induced coastal flooding as well. For the purpose of flood control, these deltas are mostly protected in a man-made environment, where dikes, dams and other adjustable infrastructures, such as gates, barriers and pumps are widely constructed. Instead of always reinforcing and heightening these structures, it is worth considering making the most of the existing infrastructure to reduce the damage and manage the delta in an operational and overall way. In this study, an advanced real-time control approach, Model Predictive Control, is proposed to operate these structures in the Dutch delta system (the Rhine-Meuse delta). The application covers non-linearity in the dynamic behavior of the water system and the structures. To deal with the non-linearity, a linearization scheme is applied which directly uses the gate height instead of the structure flow as the control variable. Given the fact that MPC needs to compute control actions in real-time, we address issues regarding computational time. A new large time step scheme is proposed in order to save computation time, in which different control variables can have different control time steps. Simulation experiments demonstrate that Model Predictive Control with the large time step setting is able to control a delta system better and much more efficiently than the conventional operational schemes.

4. Exterior view of LongTerm Hydrazine Silo (T28E), looking west. ...

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

4. Exterior view of Long-Term Hydrazine Silo (T-28E), looking west. The low-lying building to the immediate left of the silo is the Fuel Purification Structure (T-28E). - Air Force Plant PJKS, Systems Integration Laboratory, Long-Term Hydrazine Silo, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

2. Exterior view of LongTerm Hydrazine Silo (T28E), looking east. ...

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

2. Exterior view of Long-Term Hydrazine Silo (T-28E), looking east. The low-lying building to the immediate right of the silo is the Fuel Purification Structure T-28E). - Air Force Plant PJKS, Systems Integration Laboratory, Long-Term Hydrazine Silo, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

3. Exterior view of LongTerm Hydrazine Silo (T28E), looking southwest. ...

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

3. Exterior view of Long-Term Hydrazine Silo (T-28E), looking southwest. The low-lying building to the immediate left of the silo is the Fuel Purification Structure (T-28E). - Air Force Plant PJKS, Systems Integration Laboratory, Long-Term Hydrazine Silo, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

Getting out of harm's way - evacuation from tsunamis

USGS Publications Warehouse

Jones, Jeanne M.; Wood, Nathan J.; Gordon, Leslie C.

2015-01-01

Maps of travel time can be used by emergency managers and community planners to identify where to focus evacuation training and tsunami education. The tool can also be used to examine the potential benefits of vertical-evacuation structures, which are buildings or berms designed to provide a local high ground in low-lying areas of the hazard zone. 

Environmental Stress and Human Migration in a Low-lying Developing Nation: A Comparison of Co-evolving Natural and Human Landscapes in the Physically and Culturally Diverse Context of Bangladesh

DTIC Science & Technology

2012-09-30

different livelihood strategies? How have community resilience and household vulnerability changed in response to engineered structures, shifting...impacts of environmental change by strengthening the factors that contribute to community resilience . 6 IMPACT/APPLICATIONS Our research will

Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate

PubMed Central

Luo, Yixiu; Wang, Jiemin; Li, Yiran; Wang, Jingyang

2016-01-01

Modification of lattice thermal conductivity (κL) of a solid by means of hydrostatic pressure (P) has been a crucially interesting approach that targets a broad range of advanced materials from thermoelectrics and thermal insulators to minerals in mantle. Although it is well documented knowledge that thermal conductivity of bulk materials normally increase upon hydrostatic pressure, such positive relationship is seriously challenged when it comes to ceramics with complex crystal structure and heterogeneous chemical bonds. In this paper, we predict an abnormally negative trend dκL/dP < 0 in Y2Si2O7 silicate using density functional theoretical calculations. The mechanism is disclosed as combined effects of slightly decreased group velocity and significantly augmented scattering of heat-carrying acoustic phonons in pressured lattice, which is originated from pressure-induced downward shift of low-lying optic and acoustic phonons. The structural origin of low-lying optic phonons as well as the induced phonon anharmonicity is also qualitatively elucidated with respect to intrinsic bonding heterogeneity of Y2Si2O7. The present results are expected to bring deeper insights for phonon engineering and modulation of thermal conductivity in complex solids with diverging structural flexibility, enormous bonding heterogeneity, and giant phonon anharmonicity. PMID:27430670

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.

Global climate change and sea level rise: potential losses of intertidal habitat for shorebirds

Treesearch

H. Galbraith; R. Jones; R. Park; J. Clough; S. Herrod-Julius; B. Harrington; G. Page

2005-01-01

Global warming is expected to result in an acceleration of current rates of sea level rise, inundating many low-lying coastal and intertidal areas. This could have important implications for organisms that depend on these sites, including shorebirds that rely on them for foraging habitat during their migrations and in winter. We modeled the potential changes in the...

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.

Theoretical studies of the low-lying states of ScO, ScS, VO, and VS

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.

1986-01-01

Bonding in the low-lying states of ScO, ScS, VO, and VS is theoretically studied. Excellent agreement is obtained with experimental spectroscopic constants for the low-lying states of ScO and VO. The results for VS and ScS show that the bonding in the oxides and sulfides is similar, but that the smaller electronegativity in S leads to a smaller ionic component in the bonding. The computed D0 of the sulfides are about 86 percent of the corresponding oxides, and the low-lying excited states are lower in the sulfides than in the corresponding oxides. The CPF method is shown to be an accurate and cost-effective method for obtaining reliable spectroscopic constants for these systems.

ROBUST ESTIMATION OF MEAN AND VARIANCE USING ENVIRONMENTAL DATA SETS WITH BELOW DETECTION LIMIT OBSERVATIONS

EPA Science Inventory

Scientists, especially environmental scientists often encounter trace level concentrations that are typically reported as less than a certain limit of detection, L. Type 1, left-censored data arise when certain low values lying below L are ignored or unknown as they cannot be mea...

Soft x-ray emission of galliumlike rare-earth atoms produced by high-temperature low-density tokamak and high-density laser plasmas

NASA Astrophysics Data System (ADS)

Fournier, K. B.; Goldstein, W. H.; Osterheld, A.; Finkenthal, M.; Lippmann, S.; Huang, L. K.; Moos, H. W.; Spector, N.

1994-09-01

Spectra of rare-earth atoms praseodymium, Z=59, to ytterbium, Z=70, emitted from the high-temperature (1 keV) low-density (1013 cm-3) TEXT tokamak (at the Fusion Research Center, University of Texas, Austin) and high-density (1020 cm-3) laser plasmas have been recorded in the soft-x-ray range of 50-200 Å with an image intensifier detector and on photographic plates. The brightest n=4 to n=4 transitions of galliumlike ions have been identified and their emission patterns have been studied by comparison with ab initio atomic structure calculations and collisional radiative models under the respective plasma conditions. We have investigated the use of the ratios of the intensities of 4-4 transitions as indicators of plasma densities. This is possible owing to the doublet structure of the galliumlike ground state, which leads to a strong density dependence for ratios of transitions between low-lying levels. We have also used semiempirical ionization balance calculations to characterize the charge state distribution of the tokamak plasmas, in preparation for an investigation of the use of ratios of galliumlike to zinclike and copperlike emission features as indicators of whether the impurities are in coronal equilibrium or undergoing ionization.

Schools, Air Pollution, and Active Transportation: An Exploratory Spatial Analysis of Calgary, Canada.

PubMed

Bertazzon, Stefania; Shahid, Rizwan

2017-07-25

An exploratory spatial analysis investigates the location of schools in Calgary (Canada) in relation to air pollution and active transportation options. Air pollution exhibits marked spatial variation throughout the city, along with distinct spatial patterns in summer and winter; however, all school locations lie within low to moderate pollution levels. Conversely, the study shows that almost half of the schools lie in low walkability locations; likewise, transitability is low for 60% of schools, and only bikability is widespread, with 93% of schools in very bikable locations. School locations are subsequently categorized by pollution exposure and active transportation options. This analysis identifies and maps schools according to two levels of concern: schools in car-dependent locations and relatively high pollution; and schools in locations conducive of active transportation, yet exposed to relatively high pollution. The findings can be mapped and effectively communicated to the public, health practitioners, and school boards. The study contributes with an explicitly spatial approach to the intra-urban public health literature. Developed for a moderately polluted city, the methods can be extended to more severely polluted environments, to assist in developing spatial public health policies to improve respiratory outcomes, neurodevelopment, and metabolic and attention disorders in school-aged children.

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.

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

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

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.

Two-cluster structure of some alpha-scattering resonances in the sd shell

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

Budzanowski, A.; Grotowski, K.; Strzalkowski, A.

1975-01-01

The excitation functions of the elastic scattering of alpha particles at backward angles on $sup 24$Mg and $sup 28$Si nuclei in the energy range from 23 to 28 MeV measured by Bobrowska et al. exhibit distinct maxima. It was shown that these maxima are not correlated with the structures seen in the excitation functions of the ($alpha$,$alpha$') and ($alpha$,p) reactions leading to low- lying excited states of the final nucleus possibly indicating the presence of Ericson fluctuations. (auth)

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.

Why CO bonds side-on at low coverage and both side-on and upright at high coverage on the Cr(110) surface

NASA Technical Reports Server (NTRS)

Mehandru, S. P.; Anderson, A. B.

1985-01-01

An atom superposition and electron delocalization molecular orbital study of CO adsorption on the Cr(110) surface shows a high coordinate lying down orientation is favored. This is a result of the large number of empty d-band energy levels in chromium, which allows the antibonding counterparts to sigma and pi donation bonds to the surface to be empty. When lying down, backbonding to CO pi sup * orbitals is enhanced. Repulsive interactions cause additional CO to stand upright at 1/4 monolyer coverage. The results confirm the recent experimental study of Shinn and Madey.

Laser-Induced-Emission Spectroscopy In Hg/Ar Discharge

NASA Technical Reports Server (NTRS)

Maleki, Lutfollah; Blasenheim, Barry J.; Janik, Gary R.

1992-01-01

Laser-induced-emission (LIE) spectroscopy used to probe low-pressure mercury/argon discharge to determine influence of mercury atoms in metastable 6(Sup3)P(Sub2) state on emission of light from discharge. LIE used to study all excitation processes affected by metastable population, including possible effects on excitation of atoms, ions, and buffer gas. Technique applied to emissions of other plasmas. Provides data used to make more-accurate models of such emissions, exploited by lighting and laser industries and by laboratories studying discharges. Also useful in making quantitative measurements of relative rates and cross sections of direct and two-step collisional processes involving metastable level.

Ab initio calculations of the electronic structure of the low-lying states for the ultracold LiYb molecule

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

Tohme, Samir N.; Korek, Mahmoud, E-mail: mahmoud.korek@bau.edu.lb, E-mail: fkorek@yahoo.com; Awad, Ramadan

Ab initio techniques have been applied to investigate the electronic structure of the LiYb molecule. The potential energy curves have been computed in the Born–Oppenheimer approximation for the ground and 29 low-lying doublet and quartet excited electronic states. Complete active space self-consistent field, multi-reference configuration interaction, and Rayleigh Schrödinger perturbation theory to second order calculations have been utilized to investigate these states. The spectroscopic constants, ω{sub e}, R{sub e}, B{sub e}, …, and the static dipole moment, μ, have been investigated by using the two different techniques of calculation with five different types of basis. The eigenvalues, E{sub v}, themore » rotational constant, B{sub v}, the centrifugal distortion constant, D{sub v}, and the abscissas of the turning points, R{sub min} and R{sub max}, have been calculated by using the canonical functions approach. The comparison between the values of the present work, calculated by different techniques, and those available in the literature for several electronic states shows a very good agreement. Twenty-one new electronic states have been studied here for the first time.« less

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.

Immediate Effects of Core Stabilization Exercise on β-Endorphin and Cortisol Levels Among Patients With Chronic Nonspecific Low Back Pain: A Randomized Crossover Design.

PubMed

Paungmali, Aatit; Joseph, Leonard Henry; Punturee, Khanittha; Sitilertpisan, Patraporn; Pirunsan, Ubon; Uthaikhup, Sureeporn

The main objective of the study was to measure the levels of plasma β-endorphin (PB) and plasma cortisol (PC) under lumbar core stabilization exercise (LCSE), placebo and control conditions in patients with chronic nonspecific low back pain. Twenty-four participants with chronic nonspecific low back pain participated in a randomized, placebo-controlled, crossover design study. There were 3 experimental exercise conditions: control condition (positioning in crook lying and rest), placebo condition (passive cycling in crook lying using automatic cycler), and LCSE on a Pilates device tested with a 48-hour interval between sessions by concealed randomization. A blood sample was collected before and after the exercise conditions. Plasma β-endorphin and PC were measured through enzyme-linked immunosorbent assay and electrochemiluminescence in a Cobas E411 auto analyzer. A significant difference in PB level was identified before and after the LCSE condition (P < .05), whereas no significant differences were noted in control and placebo exercise conditions. Also, the trend of elevation of PB under the LCSE was significantly different compared with the placebo and control conditions (P < .01). In contrast, the PC level remained unchanged in all 3 conditions. The findings of this study indicate that LCSE could possibly influence PB but not PC level among patients with chronic nonspecific low back pain. The mechanism of action of the pain-relieving effect of LCSE might be related to an endogenous opioid mechanism as part of its effects and might not be involved with a stress-induced analgesia mechanism. Copyright © 2018. Published by Elsevier Inc.

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.

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.

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.

No Aboriginal Students left Behind in Taiwan

ERIC Educational Resources Information Center

Wu, Sue-Jen; Hartzler-Miller, Cynthia

2005-01-01

The project is motivated by Taiwan's huge gap of educational levels between the aborigines and the Hans. The low achievement of aboriginal students lies in factors related to problems in finance, health, and cultural difference, which contribute to their sense of self-deprecation. The purpose of the project is to provide early intervention and…

Process-based model predictions of hurricane induced morphodynamic change on low-lying barrier islands

USGS Publications Warehouse

Plant, Nathaniel G.; Thompson, David M.; Elias, Edwin; Wang, Ping; Rosati, Julie D.; Roberts, Tiffany M.

2011-01-01

Using Delft3D, a Chandeleur Island model was constructed to examine the sediment-transport patterns and morphodynamic change caused by Hurricane Katrina and similar storm events. The model setup included a coarse Gulf of Mexico domain and a nested finer-resolution Chandeleur Island domain. The finer-resolution domain resolved morphodynamic processes driven by storms and tides. A sensitivity analysis of the simulated morphodynamic response was performed to investigate the effects of variations in surge levels. The Chandeleur morphodynamic model reproduced several important features that matched observed morphodynamic changes. A simulation of bathymetric change driven by storm surge alone (no waves) along the central portion of the Chandeleur Islands showed (1) a general landward retreat and lowering of the island chain and (2) multiple breaches that increased the degree of island dissection. The locations of many of the breaches correspond with the low-lying or narrow sections of the initial bathymetry. The major part of the morphological change occurred prior to the peak of the surge when overtopping of the islands produced a strong water-level gradient and induced significant flow velocities.

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.

Low-lying dipole modes in 26,28Ne in the quasiparticle relativistic random phase approximation

NASA Astrophysics Data System (ADS)

Cao, Li-Gang; Ma, Zhong-Yu

2005-03-01

The low-lying isovector dipole strengths in the neutron-rich nuclei 26Ne and 28Ne are investigated in the quasiparticle relativistic random phase approximation. Nuclear ground-state properties are calculated in an extended relativistic mean field theory plus Bardeen-Cooper-Schrieffer (BCS) method where the contribution of the resonant continuum to pairing correlations is properly treated. Numerical calculations are tested in the case of isovector dipole and isoscalar quadrupole modes in the neutron-rich nucleus 22O. It is found that in the present calculation, low-lying isovector dipole strengths at Ex<10MeV in nuclei 26Ne and 26Ne exhaust about 4.9% and 5.8% of the Thomas-Reiche-Kuhn dipole sum rule, respectively. The centroid energy of the low-lying dipole excitation is located at 8.3 MeV in 26Ne and 7.9 MeV in 28Ne.

High-spin structure, K isomers, and state mixing in the neutron-rich isotopes 173Tm and 175Tm

NASA Astrophysics Data System (ADS)

Hughes, R. O.; Lane, G. J.; Dracoulis, G. D.; Byrne, A. P.; Nieminen, P. H.; Watanabe, H.; Carpenter, M. P.; Chowdhury, P.; Janssens, R. V. F.; Kondev, F. G.; Lauritsen, T.; Seweryniak, D.; Zhu, S.

2012-11-01

High-spin states in the odd-proton thulium isotopes 173Tm and 175Tm have been studied using deep-inelastic reactions and γ-ray spectroscopy. In 173Tm, the low-lying structure has been confirmed and numerous new states have been identified, including a three-quasiparticle Kπ= 19/2- isomer with a lifetime of τ=360(100) ns at 1906 keV and a five-quasiparticle Kπ=35/2- isomer with a lifetime of τ= 175(40) ns at 4048 keV. The Kπ=35/2- state is interpreted as a t-band configuration that shows anomalously fast decays. In 175Tm, the low-lying structure has been reevaluated, a candidate state for the 9/2-[514] orbital has been identified at 1175 keV, and the 7/2-[523] bandhead has been measured to have a lifetime of τ= 460(50) ns. Newly identified high-K structures in 175Tm include a Kπ=15/2- isomer with a lifetime of τ= 64(3) ns at 947 keV and a Kπ= 23/2+ isomer with a lifetime of τ= 30(20) μs at 1518 keV. The Kπ=15/2- isomer shows relatively enhanced decays to the 7/2-[523] band that can be explained by chance mixing with the 15/2- member of the 7/2- band. Multiquasiparticle calculations have been performed for 173Tm and 175Tm, the results of which compare well with the experimentally observed high-spin states.

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.

Thermodynamic signatures for the existence of Dirac electrons in ZrTe 5

DOE PAGES

Nair, Nityan L.; Dumitrescu, Philipp T.; Channa, Sanyum; ...

2017-09-12

We combine transport, magnetization, and torque magnetometry measurements to investigate the electronic structure of ZrTe 5 and its evolution with temperature. At fields beyond the quantum limit, we observe a magnetization reversal from paramagnetic to diamagnetic response, which is characteristic of a Dirac semi-metal. We also observe a strong non-linearity in the magnetization that suggests the presence of additional low-lying carriers from other low-energy bands. Finally, we observe a striking sensitivity of the magnetic reversal to temperature that is not readily explained by simple band-structure models, but may be connected to a temperature dependent Lifshitz transition proposed to exist inmore » this material.« 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

Winter water; the flooding at Boise, Idaho, January 11-12, 1979

USGS Publications Warehouse

Harper, Robert William; Hubbard, E.F.

1980-01-01

On January 11 and 12, 1979, unseasonally warm temperatures and rain on several inches of snow lying on frozen ground caused widespread flooding in and around Boise, Idaho. Streams north of Boise crested on January 11, flooding neighborhoods in and adjacent to the mountain foothills. On January 12, streams south and west of the city reached their highest stages. Flooding was confined to ground levels and basements of homes and businesses in low-lying areas. The U.S. Geological Survey made indirect measurements of peak dicharges at selected sites on streams that had the worst flooding. The peak discharges were relatively low in comparison with data from historic floods. Much more severe flooding than this event is likely to occur in the future. More data are needed on the occurrence of flooding in Boise Valley to aid in flood-protection planning. (USGS)

Distant storms as drivers of environmental change at Pacific atolls.

PubMed

Gardner, Jonathan P A; Garton, David W; Collen, John D; Zwartz, Daniel

2014-01-01

The central Pacific Ocean with its many low lying islands and atolls is under threat from sea level rise and increased storm activity. Here, we illustrate how increasing frequency and severity of large scale storm events associated with global climate change may be particularly profound at the local scale for human populations that rely on lagoon systems for provision of a variety of goods and services. In August 2011 a storm originating in the Southern Ocean caused a large amplitude ocean swell to move northward through the Pacific Ocean. Its arrival at Palmyra Atoll coincided with transient elevated sea surface height and triggered turnover of the lagoon water column. This storm-induced change to the lagoon reflects long distance connectivity with propagated wave energy from the Southern Ocean and illustrates the increasing threats generated by climate change that are faced by human populations on most low-lying Pacific islands and atolls.

Electronic spectroscopy of HRe(CO) 5: a CASSCF/CASPT2 and TD-DFT study

NASA Astrophysics Data System (ADS)

Bossert, J.; Ben Amor, N.; Strich, A.; Daniel, C.

2001-07-01

The low-lying excited states of HRe(CO) 5 have been calculated at the CASSCF/CASPT2 and TD-DFT level of theory using relativistic effective core potentials (ECP) or ab initio model potentials (AIMP). The theoretical absorption spectrum is compared to the experimental one. Despite the similarity between the experimental absorption spectra of HMn(CO) 5 and HRe(CO) 5 in the UV/visible energy domain it is shown that the assignment differs significantly between the two molecules. The low-lying excited states of HRe(CO) 5 correspond to 5d→π *CO excitations whereas the spectrum of HMn(CO) 5 consists mainly of 3d→3d and 3d→ σ*Mn-H excitations. If the CASPT2 and TD-DFT results are quite comparable for the lowest excited states, the upper part assignment is more problematic with the TD-DFT method.

Distant Storms as Drivers of Environmental Change at Pacific Atolls

PubMed Central

Gardner, Jonathan P. A.; Garton, David W.; Collen, John D.; Zwartz, Daniel

2014-01-01

The central Pacific Ocean with its many low lying islands and atolls is under threat from sea level rise and increased storm activity. Here, we illustrate how increasing frequency and severity of large scale storm events associated with global climate change may be particularly profound at the local scale for human populations that rely on lagoon systems for provision of a variety of goods and services. In August 2011 a storm originating in the Southern Ocean caused a large amplitude ocean swell to move northward through the Pacific Ocean. Its arrival at Palmyra Atoll coincided with transient elevated sea surface height and triggered turnover of the lagoon water column. This storm-induced change to the lagoon reflects long distance connectivity with propagated wave energy from the Southern Ocean and illustrates the increasing threats generated by climate change that are faced by human populations on most low-lying Pacific islands and atolls. PMID:24498232

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

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.

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;.

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.

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.

Anomalous Abundances in Gaseous Nebulae From Recombination and Collisional Lines: Improved Photoionization and Recombination Studies

NASA Astrophysics Data System (ADS)

Pradhan, Anil Kumar; Nahar, S. N.; Eissner, W. B.; Montenegro, M.

2011-01-01

A perplexing anomaly arises in the determination of abundances of common elements in gaseous nebulae, as derived from collisionally excited lines (CEL) as opposed to those from Recombination Lines (RCL). The "abundance discrepancy factors" can range from a factor of 2 to an order of magnitude or more. That has led to quite different interpretation of the physical structure and processes in gaseous nebulae, such as temperature fluctuations across the object, or metal-rich concentrations leading to a dual-abundnace scenario. We show that the problem may lie in inaccuracies in photoionization and recombination models neglecting low-energy resonance phenomena due to fine structure. Whereas the atomic physics of electron impact excitation of forbidden lines is well understood, and accurate collision strengths have long been available, that is not generally the case for electron-ion recombination cross sections. A major problem is the inclusion of relativisitic effects as it pertains to the existence of very low-energy fine structure resonances in photoionization cross sections. We carry out new relativistic calculations for photoionization and recombination cross sections using a recently extended version of the Breit-Pauli R-matrix codes, and the unified electron-ion recombination method that subsumes both the radiative and the dielectronic recombination (RR and DR) processes in an ab initio and self-consistent manner. We find that near-thresold resonances manifest themselves within fine structure levels of the ground state of ions, enhancing low-temperature recombination rate coefficients at 1000-10,000 K. The resulting enahncement in level-specific and total recombination rate coefficients should therefore lead to reduced abundances derived from RCL, and in accordance with those from CEL. We present results for photoionization of O II into, and recombination from, O III. Theoretical cross sections are benchmarked against high-resolution measurements from synchrotron based light sources. Work on other atomic species is in progress.

A statistical learning approach to the modeling of chromatographic retention of oligonucleotides incorporating sequence and secondary structure data

PubMed Central

Sturm, Marc; Quinten, Sascha; Huber, Christian G.; Kohlbacher, Oliver

2007-01-01

We propose a new model for predicting the retention time of oligonucleotides. The model is based on ν support vector regression using features derived from base sequence and predicted secondary structure of oligonucleotides. Because of the secondary structure information, the model is applicable even at relatively low temperatures where the secondary structure is not suppressed by thermal denaturing. This makes the prediction of oligonucleotide retention time for arbitrary temperatures possible, provided that the target temperature lies within the temperature range of the training data. We describe different possibilities of feature calculation from base sequence and secondary structure, present the results and compare our model to existing models. PMID:17567619

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

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

Determination of transport wind speed in the gaussian plume diffusion equation for low-lying point sources

NASA Astrophysics Data System (ADS)

Wang, I. T.

A general method for determining the effective transport wind speed, overlineu, in the Gaussian plume equation is discussed. Physical arguments are given for using the generalized overlineu instead of the often adopted release-level wind speed with the plume diffusion equation. Simple analytical expressions for overlineu applicable to low-level point releases and a wide range of atmospheric conditions are developed. A non-linear plume kinematic equation is derived using these expressions. Crosswind-integrated SF 6 concentration data from the 1983 PNL tracer experiment are used to evaluate the proposed analytical procedures along with the usual approach of using the release-level wind speed. Results of the evaluation are briefly discussed.

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

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

Zhang, Du; Yang, Weitao

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and doublemore » excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.« less

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

DOE PAGES

Zhang, Du; Yang, Weitao

2016-10-13

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and doublemore » excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.« less

Physical Activity Levels During Acute Inpatient Admission After Hip Fracture are Very Low.

PubMed

Davenport, Sarah J; Arnold, Meaghan; Hua, Carol; Schenck, Amie; Batten, Sarah; Taylor, Nicholas F

2015-09-01

Hip fractures are very common in older adults and result in serious health consequences. Early mobilization post-surgical intervention for hip fractures is very important. The purpose of this study was to determine physical activity levels during an acute inpatient admission of patients after surgery for hip fracture. The observational study was completed on an orthopaedic ward in an acute general hospital. Twenty patients (18 women, mean age ± standard deviation, 79.1 ± 9.3 years) post-surgical intervention for a hip fracture were included. Physical activity levels were measured using an accelerometer to record the percentage of time spent in lying/sitting, standing and walking, number of steps taken and average energy expenditure. Physical activity levels were extremely low, with participants spending an average of 99% of the day either lying or sitting and a little more than 1% of the day either standing or walking (16 min). Participants took an average of 35.7 ± 80.4 steps per day. Patients received more physiotherapy intervention on weekdays compared with weekends. There was no significant difference in activity levels between weekdays to weekends. No measures of physical activity were associated with length of stay. A mild to moderate association (r = 0.26-0.41) was observed between the measures of physical activity and the amount of physiotherapy received during the weekdays. Physical activity levels during an acute inpatient admission surgery for hip fracture are very low. Patients may have difficulty completing basic activities of daily living post-discharge into the community. Physical activity should be optimized as early in the rehabilitation process as able. Copyright © 2014 John Wiley & Sons, Ltd.

Schools, Air Pollution, and Active Transportation: An Exploratory Spatial Analysis of Calgary, Canada

PubMed Central

Bertazzon, Stefania; Shahid, Rizwan

2017-01-01

An exploratory spatial analysis investigates the location of schools in Calgary (Canada) in relation to air pollution and active transportation options. Air pollution exhibits marked spatial variation throughout the city, along with distinct spatial patterns in summer and winter; however, all school locations lie within low to moderate pollution levels. Conversely, the study shows that almost half of the schools lie in low walkability locations; likewise, transitability is low for 60% of schools, and only bikability is widespread, with 93% of schools in very bikable locations. School locations are subsequently categorized by pollution exposure and active transportation options. This analysis identifies and maps schools according to two levels of concern: schools in car-dependent locations and relatively high pollution; and schools in locations conducive of active transportation, yet exposed to relatively high pollution. The findings can be mapped and effectively communicated to the public, health practitioners, and school boards. The study contributes with an explicitly spatial approach to the intra-urban public health literature. Developed for a moderately polluted city, the methods can be extended to more severely polluted environments, to assist in developing spatial public health policies to improve respiratory outcomes, neurodevelopment, and metabolic and attention disorders in school-aged children. PMID:28757577

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.

Literacy Look-Fors: An Observation Protocol to Guide K-6 Classroom Walkthroughs

ERIC Educational Resources Information Center

McEwan-Adkins, Elaine K.

2011-01-01

With all of the reform models, research-based programs, leadership training, and professional development focused on reading and writing, we certainly know more about literacy today than we ever have before. So why are schools still suffering with low literacy levels? The answer lies in ineffective and unbalanced literacy instruction. Through the…

Does increased salinity influence the competitive outcome of two producer species?

PubMed

Venâncio, C; Anselmo, E; Soares, A; Lopes, I

2017-02-01

Within the context of global climate changes, it is expected that low-lying coastal freshwater ecosystems will face seawater intrusion with concomitant increase in salinity levels. Increased salinity may provoke disruption of competitive relationships among freshwater species. However, species may be capable of acclimating to salinity, which, in turn, may influence the resilience of ecosystems. Accordingly, this work aimed at assessing the effects of multigenerational exposure to low levels of salinity in the competitive outcome of two species of green microalgae: Raphidocelis subcapitata and Chlorella vulgaris. To attain this, three specific objectives were delineated: (1) compare the toxicity of natural seawater (SW) and NaCl (as a surrogate of SW) to the two microalgae, (2) determine the capacity of the two microalgae species to acclimate to low salinity levels, and (3) assess the influence of exposure to low salinity levels in the competitive outcome of the two microalgae. Results revealed SW to be slightly less toxic than NaCl for the two microalgae. The EC 25,72 h for growth rate was 4.63 and 10.3 mS cm -1 for R. subcapitata and 6.94 and 15.4 mS cm -1 for C. vulgaris, respectively for NaCl and SW. Both algae were capable of acclimating to low levels of salinity, but C. vulgaris seemed to acclimate faster than R. subcapitata. When exposed in competition, under control conditions, the growth rates of C. vulgaris were lower than those of R. subcapitata. However, C. vulgaris was capable of acquiring competitive advantage equaling or surpassing the growth rate of R. subcapitata with the addition of NaCl or SW, respectively. The multigenerational exposure to low levels of salinity influenced the competitive outcome of the two algae both under control and salinity exposure. These results suggest that long-term exposure to low salinity stress can cause shifts in structure of algae communities and, therefore, should not be neglected since algae are at the basis of food web constituting important energetic resources to higher trophic levels.

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.

Photoabsorption in sodium clusters: first principles configuration interaction calculations

NASA Astrophysics Data System (ADS)

Priya, Pradip Kumar; Rai, Deepak Kumar; Shukla, Alok

2017-05-01

We present systematic and comprehensive correlated-electron calculations of the linear photoabsorption spectra of small neutral closed- and open-shell sodium clusters (Nan, n = 2 - 6), as well as closed-shell cation clusters (Nan+, n = 3, 5). We have employed the configuration interaction (CI) methodology at the full CI (FCI) and quadruple CI (QCI) levels to compute the ground, and the low-lying excited states of the clusters. For most clusters, besides the minimum energy structures, we also consider their energetically close isomers. The photoabsorption spectra were computed under the electric-dipole approximation, employing the dipole-matrix elements connecting the ground state with the excited states of each isomer. Our calculations were tested rigorously for convergence with respect to the basis set, as well as with respect to the size of the active orbital space employed in the CI calculations. These calculations reveal that as far as electron-correlation effects are concerned, core excitations play an important role in determining the optimized ground state geometries of various clusters, thereby requiring all-electron correlated calculations. But, when it comes to low-lying optical excitations, only valence electron correlation effects play an important role, and excellent agreement with the experimental results is obtained within the frozen-core approximation. For the case of Na6, the largest cluster studied in this work, we also discuss the possibility of occurrence of plasmonic resonance in the optical absorption spectrum. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-70728-3

Modeling the thermal conductivities of the zinc antimonides ZnSb and Zn4Sb3

NASA Astrophysics Data System (ADS)

Bjerg, Lasse; Iversen, Bo B.; Madsen, Georg K. H.

2014-01-01

ZnSb and Zn4Sb3 are interesting as thermoelectric materials because of their low cost and low thermal conductivity. We introduce a model of the lattice thermal conductivity which is independent of fitting parameters and takes the full phonon dispersions into account. The model is found to give thermal conductivities with the correct relative magnitudes and in reasonable quantitative agreement with experiment for a number of semiconductor structures. The thermal conductivities of the zinc antimonides are reviewed and the relatively large effect of nanostructuring on the zinc antimonides is rationalized in terms of the mean free paths of the heat carrying phonons. The very low thermal conductivity of Zn4Sb3 is found to be intrinsic to the structure. However, the low-lying optical modes are observed in both Zn-Sb structures and involve both Zn and Sb vibrations, thereby strongly questioning dumbbell rattling. A mechanism for the very low thermal conductivity observed in Zn4Sb3 is identified. The large Grüneisen parameter of this compound is traced to the Sb atoms which coordinate only Zn atoms.

Magnetization process and low-temperature thermodynamics of a spin-1/2 Heisenberg octahedral chain

NASA Astrophysics Data System (ADS)

Strečka, Jozef; Richter, Johannes; Derzhko, Oleg; Verkholyak, Taras; Karľová, Katarína

2018-05-01

Low-temperature magnetization curves and thermodynamics of a spin-1/2 Heisenberg octahedral chain with the intra-plaquette and monomer-plaquette interactions are examined within a two-component lattice-gas model of hard-core monomers, which takes into account all low-lying energy modes in a highly frustrated parameter space involving the monomer-tetramer, localized many-magnon and fully polarized ground states. It is shown that the developed lattice-gas model satisfactorily describes all pronounced features of the low-temperature magnetization process and the magneto-thermodynamics such as abrupt changes of the isothermal magnetization curves, a double-peak structure of the specific heat or a giant magnetocaloric effect.

Effects of the earthquake of March 27, 1964, on the communities of Kodiak and nearby islands: Chapter F in The Alaska earthquake, March 27, 1964: effects on communities

USGS Publications Warehouse

Kachadoorian, Reuben; Plafker, George

1967-01-01

The great earthquake (Richter magnitude of 8.4–8.5) that struck south-central Alaska at 5:36 p.m., Alaska standard time, on March 27, 1964 (03:36, March 28, Greenwich mean time), was felt in every community on Kodiak Island and the nearby islands. It was the most severe earthquake to strike this part of Alaska in modern time, and took the lives of 18 persons in the area by drowning; this includes two in Kodiak and three at Kaguyak. Property damage and loss of income to the communities is estimated at more than $45 million. The largest community, Kodiak, had the greatest loss from the earthquake. Damage was caused chiefly by 5.6 feet of tectonic subsidence and a train of 10 seismic sea waves that inundated the low-lying areas of the town. The seismic sea waves destroyed all but one of the docking facilities and more than 215 structures; many other structures were severely damaged. The waves struck the town during the evening hours of March 27 and early morning hours of March 28. They moved from the southwest and northeast: and reached their maximum height of 20–30 feet above mean lower low water at Shahafka Cove between 11:00 and 11:45 p.m., March 27. The violently destructive seismic sea waves not only severely damaged homes, shops, and naval-station structures but also temporarily crippled the fishing industry in Kodiak by destroying the processing plants and most of the fishing vessels. The waves scoured out 10 feet of sediments in the channel between Kodiak Island and Near Island and exposed bedrock. This bedrock presented a major post-earthquake construction problem because no sediments remained into which piles could be driven for foundations of waterfront facilities. Because of tectonic subsidence, high tides now flood Mission and Potatopatch Lakes which, before the earthquake, had not been subject to tidal action. The subsidence also accelerated erosion of the unconsolidated sediments along the shoreline in the city of Kodiak. Seismic shaking lasted 4½–5½ minutes at Kodiak and had a rolling motion. Inasmuch as most of Kodiak is underlain by bedrock or by only a thin veneer of unconsolidated sediments, very little if any damage occurred from ground motion or seismic shaking. The ground motion, however, did cause a massive short circuit and power failure at Kodiak. The Kodiak Naval Station, 5 miles southwest of Kodiak, was also severely damaged by the earthquake. The station was inundated by at least 10 seismic sea waves which reached a maximum height of 25 feet above post-earthquake mean lower low water between 11:16 and 11:34 p.m. on March 27, 1964. The first seismic sea wave that inundated the station did not do severe damage because it behaved much like a rapid rise of tide, but the subsequent and more violent waves destroyed most of the docking facilities and several other shoreline structures. The waves struck the station from the southwest and from the east. The shoreline structures that were not destroyed required rehabilitation because the 5.6 feet of tectonic subsidence put them under water during the highest tides. Furthermore the subsidence accelerated erosion during high tide of the soft unconsolidated sediments and fill in the low-lying areas of the station. Seismic shaking did little damage to the station housing facility, but it was responsible for compaction of sediments, lateral displacement of a seawall, and the development of fissures in the aircraft parking area. The ground motion was as south-southeast–north-northwest to north-south in direction. An unusual case of radioactive contamination was reported at the naval station. The inundating seismic sea waves entered a building in which radionuclides were stored. The contamination was restricted to the building only, however, and did not spread throughout the station. Afognak was abandoned because of the extensive damage incurred from tectonic subsistence and seismic sea waves. The seismic effects, estimated Mercalli intensity VI-VII, did not directly cause any significant property damage at Afognak Serious long-term damage, however, resulted from tectonic subsidence estimated to be from 3½ to 5½ feet. The subsidence has resulted in rapid erosion of the coast, landward shift and building up of bench berms to the new higher sea levels, and flooding of extensive low-lying areas behind the barrier beaches. Inundation of low-lying parts of the village by a train of seismic sea waves having maximum heights of 10.8 feet above post-earthquake tide level (14.5 ft above post-earthquake mean lower low water) caused losses of about half a million dollars to homes, vehicles, bridges, and personal possessions. Uzinki was damaged by tectonic subsidence and seismic sea waves. No significant damage resulted from the ground motion during the earthquake; the Mercalli intensity was about VI. However, tectonic subsidence, estimated to be 5 feet, caused inundation of a narrow zone along the waterfront. Structures and vessels were damaged as a result of the seismic sea waves that repeatedly flooded the waterfront area after the earthquake. Old Harbor was damaged by seismic shock, subsidence, and seismic sea waves. The tremors, which had a Mercalli intensity estimated at VII-VIII, toppled two concrete-block chimneys, cracked interior walls, and caused minor breakage of personal property in the homes. Regional tectonic subsidence and superficial subsidence of the unconsolidated deposits on which the village is situated apparently caused incursion of salt water into the school well. A quarter of million yards of fill was required to raise the waterfront areas to their pre-earthquake elevations relative to sea level. Seismic sea waves having a maximum runup of about 12 feet above tide level (16 ft above post-earthquake mean lower low water) destroyed 34 of the 35 residences in the village and presumably drowned one man who lived immediately across the strait from Old Harbor. At Kaguyak, seismic sea waves having a maximum runup of about 25 feet above mean lower low water carried away all 10 buildings in the village, took three lives, and damaged an unknown number of fishing vessels. The village site has been abandoned. The communities of Akhiok, Karluk, and Larsen Bay were virtually undamaged by the earthquake tremors, which had estimated Mercalli intensities of VI-VII, but tectonic subsidence of about 2–2½ feet at Larsen Bay made it necessary to raise the cannery dock level at an estimated cost of $80,000.

Theoretical study of the potential energy surfaces and dynamics of CaNC/CaCN

NASA Astrophysics Data System (ADS)

Nanbu, Shinkoh; Minamino, Satoshi; Aoyagi, Mutsumi

1997-05-01

Potential energy surfaces for the ground and two low-lying electronically excited states of CaNC/CaCN, are calculated using the ab initio molecular orbital (MO) configuration interaction (CI) method. The absorption and emission spectra of the system are computed by performing time-dependent quantum dynamical calculations on these surfaces. The most stable geometries for the two lowest lying 12Σ+ and 12Π electronic states correspond to the calcium isocyanide (CaNC) structure. These two states are characterized by ionic bonding and the potential energy curves along the bending coordinate are relatively isotropic. The result of our wave packet dynamics shows that the characteristics of the experimental spectra observed by the laser-induced fluorescence spectroscopy can be explained by the Renner-Teller splitting.

Lie algebraic approach to valence bond theory of π-electron systems: a preliminary study of excited states

NASA Astrophysics Data System (ADS)

Paldus, J.; Li, X.

1992-10-01

Following a brief outline of various developments and exploitations of the unitary group approach (UGA), and its extension referred to as Clifford algebra UGA (CAUGA), in molecular electronic structure calculations, we present a summary of a recently introduced implementation of CAUGA for the valence bond (VB) method based on the Pariser-Parr-Pople (PPP)-type Hamiltonian. The existing applications of this PPP-VB approach have been limited to groundstates of various π-electron systems or, at any rate, to the lowest states of a given multiplicity. In this paper the method is applied to the low-lying excited states of several archetypal models, namely cyclobutadiene and benzene, representing antiaromatic and aromatic systems, hexatriene, representing linear polyenic systems and, finally, naphthalene, representing polyacenes.

The Chennai floods of 2015 and the health system response.

PubMed

Gaitonde, Rakhal; Gopichandran, Vijayaprasad

2016-01-01

The Chennai floods of 2015 were a calamity of unexpected proportions (1). The impact on the lives of the poor has been immense. Thousands needed to abandon their already precarious dwellings on the banks of the Adyar River, and other low-lying areas for temporary shelters. The differential experience and impact of disasters on different segments of the population helps understand the dynamics of sociopolitical structures and supports.

5. Exterior view of LongTerm Hydrazine Silo (T28E), looking west. ...

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

5. Exterior view of Long-Term Hydrazine Silo (T-28E), looking west. The low-lying building to the left of the silo is the Fuel Purification Structure (T-28E). A hydrazine tank is in the concrete truck well in the immediate foreground. - Air Force Plant PJKS, Systems Integration Laboratory, Long-Term Hydrazine Silo, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

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.

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.

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.

Scaling of the low-energy structure in above-threshold ionization in the tunneling regime: theory and experiment.

PubMed

Guo, L; Han, S S; Liu, X; Cheng, Y; Xu, Z Z; Fan, J; Chen, J; Chen, S G; Becker, W; Blaga, C I; DiChiara, A D; Sistrunk, E; Agostini, P; DiMauro, L F

2013-01-04

A calculation of the second-order (rescattering) term in the S-matrix expansion of above-threshold ionization is presented for the case when the binding potential is the unscreened Coulomb potential. Technical problems related to the divergence of the Coulomb scattering amplitude are avoided in the theory by considering the depletion of the atomic ground state due to the applied laser field, which is well defined and does not require the introduction of a screening constant. We focus on the low-energy structure, which was observed in recent experiments with a midinfrared wavelength laser field. Both the spectra and, in particular, the observed scaling versus the Keldysh parameter and the ponderomotive energy are reproduced. The theory provides evidence that the origin of the structure lies in the long-range Coulomb interaction.

Waste Isolation Pilot Plant (WIPP) conceptual design report. Part I: executive summary. Part II: facilities and system

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

Not Available

1977-06-01

The pilot plant is developed for ERDA low-level contact-handled transuranic waste, ERDA remote-handled intermediate-level transuranic waste, and for high-level waste experiments. All wastes placed in the WIPP arrive at the site processed and packaged; no waste processing is done at the WIPP. All wastes placed into the WIPP are retrievable. The proposed site for WIPP lies 26 miles east of Carlsbad, New Mexico. This document includes the executive summary and a detailed description of the facilities and systems. (DLC)

Microscopic particle-rotor model for the low-lying spectrum of Λ hypernuclei

NASA Astrophysics Data System (ADS)

Mei, H.; Hagino, K.; Yao, J. M.; Motoba, T.

2014-12-01

We propose a novel method for low-lying states of hypernuclei based on the particle-rotor model, in which hypernuclear states are constructed by coupling the hyperon to low-lying states of the core nucleus. In contrast to the conventional particle-rotor model, we employ a microscopic approach for the core states; that is, the generator coordinate method (GCM) with the particle number and angular momentum projections. We apply this microscopic particle-rotor model to Λ9Be as an example employing a point-coupling version of the relativistic mean-field Lagrangian. A reasonable agreement with the experimental data for the low-spin spectrum is achieved using the Λ N coupling strengths determined to reproduce the binding energy of the Λ particle.

Making markets work for clean water.

PubMed

Carpenter, G

2003-01-01

Part of the solution to close the gap to meet the UN Millennium safe water goal lies in the domestic consumer marketplace. Multinational corporations must design products for low income consumers to deliver clean water at a household level. The future of business is linked to improving the lives of developing country consumers and to the improved economic status of those consumers.

Nonadiabatic Photo-Process Involving the πσ* State in Intramolecular Charge Transfer: a Concerted Spectroscopic and Computational Study 4-(DIMETHYLAMINO)BENZETHYNE and 4-(DIMETHYLAMINO)BENZONITRILE.

NASA Astrophysics Data System (ADS)

Fujiwara, Takashige; Segarra-Martí, Javier; Coto, Pedro B.

2014-06-01

The ubiquitous nature of the low-lying πσ* state in the photo-excited aromatic molecules or biomolecules is widely recognized to play an important role in nonadiabatic photo-process such as photodissociation or intramolecular charge transfer (ICT). For instance, the O--H elimination channel in phenol is attributed to the state-cross of the repulsive πσ* state that exhibits a conical intersection with the lowest bright ππ* state and with the ground state, leading to ultrafast electronic deactivation. A similar decay pathway has been found in the ICT formation of 4-(dialkylamino)benzonitriles in a polar environment, where an initially photoexcited Frank-Condon state bifurcates in the presence of a dark intermediate πσ* state that crosses the fluorescent ππ* state, followed by a conical intersection with the twisted intramolecular charge transfer (TICT) state. We proposed such a two-fold decay mechanism that πσ*-state highly mediates intramolecular charge transfer in 4-(dialkylamino)benzonitriles, which is supported from both our high-level ab initio calculations and ultrafast laser spectroscopies in the previous study. 4-(Dimethylamino)benzethyne (DMABE) is isoelectronic with 4-(dimethylamino)benzonitrile (DMABN), and the electronic structures and electronic spectra of the two molecules bear very close resemblance. However, DMABN does show the ICT formation in a polar environment, whereas DMABE does not. To probe the photophysical differences among the low-lying excited-state configurations, we performed concerted time-resolved laser spectroscopies and high level ab initio multireference perturbation theory quantum-chemical (CASPT2//CASSCF) computations on the two molecules. In this paper we demonstrate the importance of the bound excited-state of a πσ* configuration that induce highly πσ*-state mediated intramolecular charge transfer in 4-(dialkylamino)benzonitriles.

Configuration interaction studies on the spectroscopic properties of PbO including spin-orbit coupling

NASA Astrophysics Data System (ADS)

Wang, Luo; Rui, Li; Zhiqiang, Gai; RuiBo, Ai; Hongmin, Zhang; Xiaomei, Zhang; Bing, Yan

2016-07-01

Lead oxide (PbO), which plays the key roles in a range of research fields, has received a great deal of attention. Owing to the large density of electronic states and heavy atom Pb including in PbO, the excited states of the molecule have not been well studied. In this work, high level multireference configuration interaction calculations on the low-lying states of PbO have been carried out by utilizing the relativistic effective core potential. The effects of the core-valence correlation correction, the Davidson modification, and the spin-orbital coupling on the electronic structure of the PbO molecule are estimated. The potential energy curves of 18 Λ-S states correlated to the lowest dissociation limit (Pb (3Pg) + O(3Pg)) are reported. The calculated spectroscopic parameters of the electronic states below 30000 cm-1, for instance, X1Σ+, 13Σ+, and 13Σ-, and their spin-orbit coupling interaction, are compared with the experimental results, and good agreements are derived. The dipole moments of the 18 Λ-S states are computed with the configuration interaction method, and the calculated dipole moments of X1Σ+ and 13Σ+ are consistent with the previous experimental results. The transition dipole moments from 11Π, 21Π, and 21Σ+ to X1Σ+ and other singlet excited states are estimated. The radiative lifetime of several low-lying vibrational levels of 11Π, 21Π, and 21Σ+ states are evaluated. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404180 and 11574114), the Natural Science Foundation of Heilongjiang Province, China (Grant No. A2015010), the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province, China (Grant No. UNPYSCT-2015095), and the Natural Science Foundation of Jilin Province, China (Grant No. 20150101003JC).

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.

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.

β decay of Si 38 , 40 ( T z = + 5 , + 6 ) to low-lying core excited states in odd-odd P 38 , 40 isotopes

DOE PAGES

Tripathi, Vandana; Lubna, R. S.; Abromeit, B.; ...

2017-02-08

Low-lying excited states in P 38,40 have been identified in the β decay of T z=+5,+6, Si 38,40. Based on the allowed nature of the Gamow-Teller (GT) decay observed, these states are assigned spin and parity of 1 + and are core-excited 1p1h intruder states with a parity opposite to the ground state. The occurrence of intruder states at low energies highlights the importance of pairing and quadrupole correlation energies in lowering the intruder states despite the N=20 shell gap. Configuration interaction shell model calculations with the state-of-art SDPF-MU effective interaction were performed to understand the structure of these 1p1hmore » states in the even-A phosphorus isotopes. States in P 40 with N=25 were found to have very complex configurations involving all the fp orbitals leading to deformed states as seen in neutron-rich nuclei with N≈28. The calculated GT matrix elements for the β decay highlight the dominance of the decay of the core neutrons rather than the valence neutrons.« less

Properties of the low-lying electronic states of phenanthrene: Exact PPP results

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

Chakrabarti, A.; Ramasesha, S.

1996-10-05

The authors report properties of the exact low-lying states of phenanthrene, its anion and dianion within the Pariser-Parr-Pople (PPP) model. The experimentally known singlet states of the neutral molecule are well reproduced by the model. The intensities for one and two photon absorption to various single states are also in good agreement with experiment. From the bond orders of these states, the authors predict the equilibrium geometries. The relaxation energies of these states, computed from charge-charge correlations and bond orders, are presented. The authors also present results of ring current calculations in the singlet ground state of phenanthrene. The authorsmore » have also reported energies, spin densities, bond orders, and relaxation energies of several triplet states and compared then with experiments as well as with other calculations, where available. The fine structure constants D and E, computed in the lowest triplet state, compare well with those obtained from experiments. These properties are also presented for the anions and the dianions. The PPP model in these cases predicts a low-energy (< 1 eV) dipole excitation. 31 refs., 4 figs., 9 tabs.« less

β decay of Si 38 , 40 ( T z = + 5 , + 6 ) to low-lying core excited states in odd-odd P 38 , 40 isotopes

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

Tripathi, Vandana; Lubna, R. S.; Abromeit, B.

Low-lying excited states in P 38,40 have been identified in the β decay of T z=+5,+6, Si 38,40. Based on the allowed nature of the Gamow-Teller (GT) decay observed, these states are assigned spin and parity of 1 + and are core-excited 1p1h intruder states with a parity opposite to the ground state. The occurrence of intruder states at low energies highlights the importance of pairing and quadrupole correlation energies in lowering the intruder states despite the N=20 shell gap. Configuration interaction shell model calculations with the state-of-art SDPF-MU effective interaction were performed to understand the structure of these 1p1hmore » states in the even-A phosphorus isotopes. States in P 40 with N=25 were found to have very complex configurations involving all the fp orbitals leading to deformed states as seen in neutron-rich nuclei with N≈28. The calculated GT matrix elements for the β decay highlight the dominance of the decay of the core neutrons rather than the valence neutrons.« less

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.

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.

Morphology of auroral zone radio wave scintillation

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

Rino, C.L.; Matthews, S.J.

1980-08-01

This paper describes the morphology of midnight sector and morning sector auroral zone scintillation observations made over a two-year period using the Wideband satelite, which is in a sun-synchronous, low-altitude orbit. No definitive seasonal variation was found. The nighttime data showed the highest scintillation ocurrence levels, but significant amounts of morning scintillation were observed. For the most part the scintillation activity followed the general pattern of local magnetic activity. The most prominent feature in the nightime data is a localized amplitude and phase scintillation enhancement at the point where the propagation vector lies within an L shell. A geometrical effectmore » due to a dynamic slab of sheetlike structures in the F region is hypothesized as the source of his enhancement. The data have been sorted by magnetic activity, proximity to local midnight, and season. The general features of the data are in agreement with the accepted morphology of auroral zone scintillation.« less

Deformed shell model study of event rates for WIMP-73Ge scattering

NASA Astrophysics Data System (ADS)

Sahu, R.; Kota, V. K. B.

2017-12-01

The event detection rates for the Weakly Interacting Massive Particles (WIMP) (a dark matter candidate) are calculated with 73Ge as the detector. The calculations are performed within the deformed shell model (DSM) based on Hartree-Fock states. First, the energy levels and magnetic moment for the ground state and two low-lying positive parity states for this nucleus are calculated and compared with experiment. The agreement is quite satisfactory. Then the nuclear wave functions are used to investigate the elastic and inelastic scattering of WIMP from 73Ge; inelastic scattering, especially for the 9/2+ → 5/2+ transition, is studied for the first time. The nuclear structure factors which are independent of supersymmetric model are also calculated as a function of WIMP mass. The event rates are calculated for a given set of nucleonic current parameters. The calculation shows that 73Ge is a good detector for detecting dark matter.

Hole generation associated with intrinsic defects in SOI-based SiGe thin films formed by solid-source molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Satoh, Motoki; Arimoto, Keisuke; Yamanaka, Junji; Sawano, Kentarou; Shiraki, Yasuhiro; Nakagawa, Kiyokazu

2018-04-01

The electronic properties of SiGe on insulator (SGOI) structure are under intense investigation due to its importance as an electronic material. In the previous investigations, a p-type conduction was observed in SGOI even in the absence of extrinsic chemical acceptors, which is a serious problem for device applications. In this paper, the electrical properties of intrinsic-defect-related acceptor states generated during the SGOI formation are reported. It is found that freeze-out is hard to be achieved even at temperatures below 10 K, which indicates that the Fermi level lies near the valence band at low temperatures. With an aim to annihilate these defects, thermal annealing at 1050 °C for 12 h in N2 ambient was carried out. It was found that the thermal treatment is effective in reducing the densities of the acceptor states and in improving the crystalline quality.

p-π Conjugated Polymers Based on Stable Triarylborane with n-Type Behavior in Optoelectronic Devices.

PubMed

Meng, Bin; Ren, Yi; Liu, Jun; Jäkle, Frieder; Wang, Lixiang

2018-02-19

p-π conjugation with embedded heteroatoms offers unique opportunities to tune the electronic structure of conjugated polymers. An approach is presented to form highly electron-deficient p-π conjugated polymers based on triarylboranes, demonstrate their n-type behavior, and explore device applications. By combining alternating [2,4,6-tris(trifluoromethyl)phenyl]di(thien-2-yl)borane (FBDT) and electron-deficient isoindigo (IID)/pyridine-flanked diketopyrrolopyrrole (DPPPy) units, we achieve low-lying lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) energy levels, high electron mobilities, and broad absorptions in the visible region. All-polymer solar cells with these polymers as electron acceptors exhibit encouraging photovoltaic performance with power conversion efficiencies of up to 2.83 %. These results unambiguously prove the n-type behavior and demonstrate the photovoltaic applications of p-π conjugated polymers based on triarylborane. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transport velocity transformation - A convenient method for performance analysis of multilayer solar cell structure

NASA Technical Reports Server (NTRS)

Wolf, M.

1981-01-01

It is noted that in the case of low-level injection, space-charge quasi-neutrality, and spatially constant material parameters (including an electrostatic field), the individual layer can be treated analytically and the basic solar cell performance parameters can be evaluated from three equations. The first equation represents the transformation of the transport velocity across the layer from the other layer boundary. The second establishes the light-generated current output from the layer interface, under the influence of the transport velocities and minority-carrier density at both layer boundaries and of bulk recombination. The third equation describes the flow of these carriers across other layers. The power of the approach is considered to lie in its facility for analysis of the solar cell's performance layer by layer, giving a clear picture of the individual layer's influence on cell efficiency.

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.

Systematic study of α preformation probability of nuclear isomeric and ground states

NASA Astrophysics Data System (ADS)

Sun, Xiao-Dong; Wu, Xi-Jun; Zheng, Bo; Xiang, Dong; Guo, Ping; Li, Xiao-Hua

2017-01-01

In this paper, based on the two-potential approach combining with the isospin dependent nuclear potential, we systematically compare the α preformation probabilities of odd-A nuclei between nuclear isomeric states and ground states. The results indicate that during the process of α particle preforming, the low lying nuclear isomeric states are similar to ground states. Meanwhile, in the framework of single nucleon energy level structure, we find that for nuclei with nucleon number below the magic numbers, the α preformation probabilities of high-spin states seem to be larger than low ones. For nuclei with nucleon number above the magic numbers, the α preformation probabilities of isomeric states are larger than those of ground states. Supported by National Natural Science Foundation of China (11205083), Construct Program of Key Discipline in Hunan Province, Research Foundation of Education Bureau of Hunan Province, China (15A159), Natural Science Foundation of Hunan Province, China (2015JJ3103, 2015JJ2123), Innovation Group of Nuclear and Particle Physics in USC, Hunan Provincial Innovation Foundation for Postgraduate (CX2015B398)

Dynamical structure of extreme ultraviolet macrospicules

NASA Technical Reports Server (NTRS)

Karovska, Margarita; Habbal, Shadia Rifai

1994-01-01

We describe the substructures forming the macrospicules and their temporal evolution, as revealed by the application of an image enhancement algorithm to extreme ultraviolet (EUV) observations of macrospicules. The enhanced images uncover, for the first time, the substructures forming the column-like structures within the macrospicules and the low-lying arches at their base. The spatial and temporal evolution of macrospicules clearly show continuous interaction between these substructures with occasional ejection of plasma following a ballistic trajectory. We comment on the importance of these results for planning near future space observations of macrospicules with better temporal and spatial resolution.

1. Exterior view of LongTerm Hydrazine Silo (T28E), looking southeast. ...

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

1. Exterior view of Long-Term Hydrazine Silo (T-28E), looking southeast. The structure was designed to assess long-term environmental impacts on storage of the Titan's fuel (hydrazine). The low-lying building to the immediate right of the silo is the Fuel Purification Structure (T-28E), constructed during the late 1960s to purify hydrazine for long-term hardware requirements for satellites and space expedition vehicles associated with the Titan III. - Air Force Plant PJKS, Systems Integration Laboratory, Long-Term Hydrazine Silo, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

Multiple band structures in 70Ge

NASA Astrophysics Data System (ADS)

Haring-Kaye, R. A.; Morrow, S. I.; Döring, J.; Tabor, S. L.; Le, K. Q.; Allegro, P. R. P.; Bender, P. C.; Elder, R. M.; Medina, N. H.; Oliveira, J. R. B.; Tripathi, Vandana

2018-02-01

High-spin states in 70Ge were studied using the 55Mn(18O,p 2 n ) fusion-evaporation reaction at a beam energy of 50 MeV. Prompt γ -γ coincidences were measured using the Florida State University Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. An investigation of these coincidences resulted in the addition of 31 new transitions and the rearrangement of four others in the 70Ge level scheme, providing a more complete picture of the high-spin decay pattern involving both positive- and negative-parity states with multiple band structures. Spins were assigned based on directional correlation of oriented nuclei ratios, which many times also led to unambiguous parity determinations based on the firm assignments for low-lying states made in previous work. Total Routhian surface calculations, along with the observed trends in the experimental kinematic moment of inertia with rotational frequency, support the multiquasiparticle configurations of the various crossing bands proposed in recent studies. The high-spin excitation spectra predicted by previous shell-model calculations compare favorably with the experimental one determined from this study.

Electronic transitions of tantalum monofluoride

NASA Astrophysics Data System (ADS)

Ng, K. F.; Zou, Wenli; Liu, Wenjian; Cheung, A. S.-C.

2017-03-01

The electronic transition spectrum of the tantalum monofluoride (TaF) molecule in the spectral region between 448 and 560 nm has been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. The TaF molecule was produced by reacting laser-ablated tantalum atoms with sulfur hexafluoride gas seeded in argon. Twenty-two vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into seven electronic transitions. The X3Σ-(0+) state has been identified to be the ground state and the determined equilibrium bond length, re, and vibrational frequency, ωe, are 1.8184 Å and 700.1 cm-1, respectively. The low-lying Λ-S states and Ω sub-states of TaF were also theoretically studied at the MRCISD+Q level of theory with spin-orbit coupling. The Ω = 0+ and 2 sub-states from the -3Σ and 3Φ state have been found to be the ground and the first excited states, respectively, which agrees well with our experimental determinations. This work represents the first experimental investigation of the molecular structure of the TaF molecule.

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.

Groundwater movement on a Low-lying Carbonate Atoll Island and its Response to Climatic and Sea-level Fluctuations: Roi Namur, Republic of the Marshall Islands

NASA Astrophysics Data System (ADS)

Oberle, F. J.; Swarzenski, P. W.; Storlazzi, C. D.

2017-12-01

Atoll islands, most of which only average 1-2 meters above today's sea level, provide a tremendous natural laboratory in which to study and better understand the intensifying impacts of high rates of sea-level rise on tropical reef-lined islands. These islands are unique and on the frontline of negative societal impacts due to their geologic structure and limited water supply. Groundwater resources on atolls are typically minimal due to the low elevation and small surface area of the islands and are also subject to recurring droughts, and more frequent, storm-driven seawater overwash events. Although groundwater is the principal means of freshwater storage on atoll islands and is a major factor in determining the overall sustainability of island settlements, hydrological data on how an aquifer will response to changes in sea-level rise or storm-driven overwash remain limited. Here we present high-resolution time series hydrogeological and geochemical data from a 16 month study to determine the role of an atoll's carbonate geology, land use, and atmospheric and oceanographic forcing in driving coastal groundwater exchange including submarine groundwater discharge on the island of Roi-Namur on Kwajalein Atoll in the Republic of the Marshall Islands. This information can provide new estimates on the recovery and resilience of coastal groundwater resources on similar islands that are expected to experience climate change-driven perturbations.

Low-lying Photoexcited States of a One-Dimensional Ionic Extended Hubbard Model

NASA Astrophysics Data System (ADS)

Yokoi, Kota; Maeshima, Nobuya; Hino, Ken-ichi

2017-10-01

We investigate the properties of low-lying photoexcited states of a one-dimensional (1D) ionic extended Hubbard model at half-filling. Numerical analysis by using the full and Lanczos diagonalization methods shows that, in the ionic phase, there exist low-lying photoexcited states below the charge transfer gap. As a result of comparison with numerical data for the 1D antiferromagnetic (AF) Heisenberg model, it was found that, for a small alternating potential Δ, these low-lying photoexcited states are spin excitations, which is consistent with a previous analytical study [Katsura et al., Phys. Rev. Lett. 103, 177402 (2009)]. As Δ increases, the spectral intensity of the 1D ionic extended Hubbard model rapidly deviates from that of the 1D AF Heisenberg model and it is clarified that this deviation is due to the neutral-ionic domain wall, an elementary excitation near the neutral-ionic transition point.

State of Louisiana - Highlighting low-lying areas derived from USGS Digital Elevation Data

USGS Publications Warehouse

Kosovich, John J.

2008-01-01

In support of U.S. Geological Survey (USGS) disaster preparedness efforts, this map depicts a color shaded relief representation highlighting the State of Louisiana and depicts the surrounding areas using muted elevation colors. The first 30 feet of relief above mean sea level are displayed as brightly colored 5-foot elevation bands, which highlight low-elevation areas at a coarse spatial resolution. Areas below sea level typically are surrounded by levees or some other type of flood-control structures. Standard USGS National Elevation Dataset (NED) 1 arc-second (nominally 30-meter) digital elevation model (DEM) data are the basis for the map, which is designed to be used at a broad scale and for informational purposes only. The NED data are a mixture of data and were derived from the original 1:24,000-scale USGS topographic map bare-earth contours, which were converted into gridded quadrangle-based DEM tiles at a constant post spacing (grid cell size) of either 30 meters (data before the mid-1990s) or 10 meters (mid-1990s and later data). These individual-quadrangle DEMs were then converted to spherical coordinates (latitude/longitude decimal degrees) and edge-matched to ensure seamlessness. Approximately one-half of the area shown on this map has DEM source data at a 30-meter resolution, with the remaining half consisting of mostly 10-meter contour-derived DEM data and some small areas of higher-resolution LIght Detection And Ranging (LIDAR) data along parts of the coastline. Areas below sea level typically are surrounded by levees or some other type of flood-control structures. State and parish boundary, hydrography, city, and road layers were modified from USGS National Atlas data downloaded in 2003. The NED data were downloaded in 2007.

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.

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.

Searching for a 4 α linear-chain structure in excited states of 16O with covariant density functional theory

NASA Astrophysics Data System (ADS)

Yao, J. M.; Itagaki, N.; Meng, J.

2014-11-01

A study of the 4 α linear-chain structure in high-lying collective excitation states of 16O with covariant density functional theory is presented. The low-spin states are obtained by configuration mixing of particle-number and angular-momentum projected quadrupole deformed mean-field states with the generator coordinate method. The high-spin states are determined by cranking calculations. These two calculations are based on the same energy density functional PC-PK1. We have found a rotational band at low spin with the dominant intrinsic configuration considered to be the one whereby 4 α clusters stay along a common axis. The strongly deformed rod shape also appears in the high-spin region with the angular momentum 13 ℏ to18 ℏ ; however, whether the state is a pure 4 α linear chain is less obvious than for the low-spin states.

Gambling Motives in a Representative Swedish Sample of Risk Gamblers.

PubMed

Sundqvist, Kristina; Jonsson, Jakob; Wennberg, Peter

2016-12-01

Motives for gambling have been shown to be associated with gambling involvement, and hence important in the understanding of the etiology of problem gambling. The aim of this study was to describe differences in gambling motives in different subgroups of lifetime risk gamblers, categorized by: age, gender, alcohol- and drug habits and type of game preferred, when considering the level of risk gambling. A random Swedish sample (n = 19,530) was screened for risk gambling, using the Lie/Bet questionnaire. The study sample (n = 257) consisted of the respondents screening positive on Lie/Bet and completing a postal questionnaire about gambling and motives for gambling (measured with the NODS-PERC and the RGQ respectively). When considering the level of risk gambling, motives for gambling were not associated with gender, whereas younger persons gambled for the challenge more often than did older participants. Card/Casino and Sport gamblers played to a greater extent for social and challenge reasons then did Lotto/Bingo-gamblers. EGM-gamblers played more for coping reasons than did Lotto/Bingo gamblers. However, this association turned non-significant when considering the level of risk gambling. Moderate risk gamblers played for the challenge and coping reasons to a greater extent than low risk gamblers motives for gambling differ across subgroups of preferred game and between gamblers with low and moderate risk. The level of risk gambling is intertwined with motives for gambling and should be considered when examining gambling reasons.

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.

Computational prediction of the spectroscopic parameters of methanediol, an elusive molecule for interstellar detection

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

Barrientos, Carmen; Redondo, Pilar; Largo, Antonio

2014-04-01

The molecular structure of methanediol has been investigated by means of quantum chemical calculations. Two conformers, corresponding to C{sub 2} and C {sub s} symmetries, respectively, were considered. The C{sub 2} conformer is found to lie about 1.7 (at 298 K) or 2.3 (at 0 K) kcal mol{sup –1} below the C {sub s} conformer. Predictions for their rotational constants, vibrational frequencies, IR intensities, and dipole moments have been provided. The lowest-lying isomer has a very low dipole moment, around 0.03 D, whereas the C {sub s} conformer has a relatively high dipole moment, namely, 2.7 D. The barrier formore » the C {sub s} →C{sub 2} process is predicted to be around 0.7-1 kcal mol{sup –1}. Based on the energetic results the proportion of the C{sub s} conformer is likely to be negligible under low temperature conditions, such as in the interstellar medium. Therefore, it is predicted that detection by radioastronomy of methanediol would be rather unlikely.« less

Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF

NASA Astrophysics Data System (ADS)

Koukounas, Constantine; Kardahakis, Stavros; Mavridis, Aristides

2004-06-01

The electronic structure of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF was examined by multireference and coupled cluster methods in conjunction with extended basis sets. For a total of 34 states we report binding energies, spectroscopic constants, dipole moments, separation energies, and charge distributions. In addition, for all states we have constructed full potential curves. The suggested ground state binding energies of TiF(X 4Φ), VF(X 5Π), CrF(X 6Σ+), and MnF(X 7Σ+) are 135, 130, 110, and 108 kcal/mol, respectively, with first excited states A 4Σ-, A 5Δ, A 6Π, and a 5Σ+ about 2, 3, 23, and 19 kcal/mol higher. In essence all our numerical findings are in harmony with experimental results. For all molecules and states studied it is clear that the in situ metal atom (M) shows highly ionic character, therefore the binding is described realistically by M+F-.

Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF.

PubMed

Koukounas, Constantine; Kardahakis, Stavros; Mavridis, Aristides

2004-06-22

The electronic structure of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF was examined by multireference and coupled cluster methods in conjunction with extended basis sets. For a total of 34 states we report binding energies, spectroscopic constants, dipole moments, separation energies, and charge distributions. In addition, for all states we have constructed full potential curves. The suggested ground state binding energies of TiF(X (4)Phi), VF(X (5)Pi), CrF(X (6)Sigma(+)), and MnF(X (7)Sigma(+)) are 135, 130, 110, and 108 kcal/mol, respectively, with first excited states A (4)Sigma(-), A (5)Delta, A (6)Pi, and a (5)Sigma(+) about 2, 3, 23, and 19 kcal/mol higher. In essence all our numerical findings are in harmony with experimental results. For all molecules and states studied it is clear that the in situ metal atom (M) shows highly ionic character, therefore the binding is described realistically by M(+)F(-). (c) 2004 American Institute of Physics.

MCD spectroscopy and TD-DFT calculations of low symmetry subnaphthalocyanine analogs.

PubMed

Mack, John; Otaki, Tatsuya; Durfee, William S; Kobayashi, Nagao; Stillman, Martin J

2014-07-01

Magnetic circular dichroism (MCD) spectroscopy and time-dependent density functional theory (TD-DFT) calculations are used to analyze the electronic structure and optical properties of low-symmetry subnaphthalocyanine analogs with AAB and ABB structures formed during mixed condensations of tetrafluorophthalonitrile and 2,3-naphthalenedicarbonitrile. The results demonstrate that trends observed in the properties of phthalocyanine analogs can be used to fine tune the optical properties so that the Q(0,0) bands lie in the red region, in a manner that does not significantly destabilize the highest occupied molecular orbital (HOMO) energy relative to that of the parent subphthalocyanine ligand. Attempts to study the spectroscopy of anion radical species proved unsuccessful, since they proved to be unstable. Copyright © 2014 Elsevier Inc. All rights reserved.

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.

Development of river flood model in lower reach of urbanized river basin

NASA Astrophysics Data System (ADS)

Yoshimura, Kouhei; Tajima, Yoshimitsu; Sanuki, Hiroshi; Shibuo, Yoshihiro; Sato, Shinji; Lee, SungAe; Furumai, Hiroaki; Koike, Toshio

2014-05-01

Japan, with its natural mountainous landscape, has demographic feature that population is concentrated in lower reach of elevation close to the coast, and therefore flood damage with large socio-economic value tends to occur in low-lying region. Modeling of river flood in such low-lying urbanized river basin is complex due to the following reasons. In upstream it has been experienced urbanization, which changed land covers from natural forest or agricultural fields to residential or industrial area. Hence rate of infiltration and runoff are quite different from natural hydrological settings. In downstream, paved covers and construct of sewerage system in urbanized areas affect direct discharges and it enhances higher and faster flood peak arrival. Also tidal effect from river mouth strongly affects water levels in rivers, which must be taken into account. We develop an integrated river flood model in lower reach of urbanized areas to be able to address above described complex feature, by integrating model components: LSM coupled distributed hydrological model that models anthropogenic influence on river discharges to downstream; urban hydrological model that simulates run off response in urbanized areas; Saint Venant's equation approximated river model that integrates upstream and urban hydrological models with considering tidal effect from downstream. These features are integrated in a common modeling framework so that model interaction can be directly performed. The model is applied to the Tsurumi river basin, urbanized low-lying river basin in Yokohama and model results show that it can simulate water levels in rivers with acceptable model errors. Furthermore the model is able to install miscellaneous water planning constructs, such as runoff reduction pond in urbanized area, flood control field along the river channel, levee, etc. This can be a useful tool to investigate cost performance of hypothetical water management plan against impact of climate change in the region.

Katabatic winds diminish precipitation contribution to the Antarctic ice mass balance.

PubMed

Grazioli, Jacopo; Madeleine, Jean-Baptiste; Gallée, Hubert; Forbes, Richard M; Genthon, Christophe; Krinner, Gerhard; Berne, Alexis

2017-10-10

Snowfall in Antarctica is a key term of the ice sheet mass budget that influences the sea level at global scale. Over the continental margins, persistent katabatic winds blow all year long and supply the lower troposphere with unsaturated air. We show that this dry air leads to significant low-level sublimation of snowfall. We found using unprecedented data collected over 1 year on the coast of Adélie Land and simulations from different atmospheric models that low-level sublimation accounts for a 17% reduction of total snowfall over the continent and up to 35% on the margins of East Antarctica, significantly affecting satellite-based estimations close to the ground. Our findings suggest that, as climate warming progresses, this process will be enhanced and will limit expected precipitation increases at the ground level.

Katabatic winds diminish precipitation contribution to the Antarctic ice mass balance

PubMed Central

Grazioli, Jacopo; Madeleine, Jean-Baptiste; Gallée, Hubert; Forbes, Richard M.; Genthon, Christophe; Krinner, Gerhard; Berne, Alexis

2017-01-01

Snowfall in Antarctica is a key term of the ice sheet mass budget that influences the sea level at global scale. Over the continental margins, persistent katabatic winds blow all year long and supply the lower troposphere with unsaturated air. We show that this dry air leads to significant low-level sublimation of snowfall. We found using unprecedented data collected over 1 year on the coast of Adélie Land and simulations from different atmospheric models that low-level sublimation accounts for a 17% reduction of total snowfall over the continent and up to 35% on the margins of East Antarctica, significantly affecting satellite-based estimations close to the ground. Our findings suggest that, as climate warming progresses, this process will be enhanced and will limit expected precipitation increases at the ground level. PMID:28973875

D2+ Molecular complex in non-uniform height quantum ribbon under crossed electric and magnetic fields

NASA Astrophysics Data System (ADS)

Suaza, Y. A.; Laroze, D.; Fulla, M. R.; Marín, J. H.

2018-05-01

The D2+ molecular complex fundamental properties in a uniform and multi-hilled semiconductor quantum ribbon under orthogonal electric and magnetic fields are theoretically studied. The energy structure is calculated by using adiabatic approximation combined with diagonalization procedure. The D2+ energy structure is more strongly controlled by the geometrical structural hills than the Coulomb interaction. The formation of vibrational and rotational states is discussed. Aharanov-Bohm oscillation patterns linked to rotational states as well as the D2+ molecular complex stability are highly sensitive to the number of hills while electric field breaks the electron rotational symmetry and removes the energy degeneration between low-lying states.

First principle study of transport properties of a graphene nano structure

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Sharma, Munish; Sharma, Jyoti Dhar; Ahluwalia, P. K.

2013-06-01

The first principle quantum transport calculations have been performed for graphene using Tran SIESTA which calculates transport properties using nonequilibrium Green's function method in conjunction with density-functional theory. Transmission functions, electron density of states and current-voltage characteristic have been calculated for a graphene nano structure using graphene electrodes. Transmission function, density of states and projected density of states show a discrete band structure which varies with applied voltage. The value of current is very low for applied voltage between 0.0 V to 5.0 V and lies in the range of pico ampere. In the V-I characteristic current shows non-linear fluctuating pattern with increase in voltage.

Broadening of divertor heat flux profile with increasing number of ELM filaments in NSTX

DOE PAGES

Ahn, J. -W.; Maingi, R.; Canik, J. M.; ...

2014-11-13

Edge localized modes (ELMs) represent a challenge to future fusion devices, owing to cyclical high peak heat fluxes on divertor plasma facing surfaces. One ameliorating factor has been that the heat flux characteristic profile width has been observed to broaden with the size of the ELM, as compared with the inter-ELM heat flux profile. In contrast, the heat flux profile has been observed to narrow during ELMs under certain conditions in NSTX. Here we show that the ELM heat flux profile width increases with the number of filamentary striations observed, i.e., profile narrowing is observed with zero or very fewmore » striations. Because NSTX often lies on the long wavelength current-driven mode side of ideal MHD instabilities, few filamentary structures can be expected under many conditions. Lastly, ITER is also projected to lie on the current driven low-n stability boundary, and therefore detailed projections of the unstable modes expected in ITER and the heat flux driven in ensuing filamentary structures is needed.« less

Seawater-overwash impacts on freshwater-lens water supplies of low-lying oceanic islands: example from Roi-Namur Island, Kwajalein Atoll, Republic of the Marshall Islands

NASA Astrophysics Data System (ADS)

Voss, C. I.; Gingerich, S. B.

2015-12-01

Low-lying oceanic islands host thin freshwater lenses subject to long-term aquifer salinization by seawater overwash. The lens is often the sole-source water supply for inhabitants. As maximum elevation for these islands is only a few meters above sea level, overwash can occur during high tides and storm surges. Sea level rise due to climate change will make overwash events even more common. The thin freshwater lenses, a few meters thick, are underlain by seawater, so pumping must be done carefully, often with horizontal skimming wells. Even a small amount of downward seawater infiltration from an overwash event can render the water supply non-potable. Where permeability is high, seawater infiltrates quickly, but seawater that infiltrates lower-permeability zones may remain for many months causing groundwater to remain non-potable, leaving residents without a reliable freshwater source. Initial post-overwash salinization is driven by the higher density of the invading saltwater, which sinks and mixes into the fresher water in potentially-complex patterns determined by: distribution of flooding and post-flood ponding, locations of permeable paths, and the inherently complex flow fields generated when fluid of higher density overlies lower-density fluid. The flow patterns cannot generally be measured or predicted in detail. This study develops basic understanding of overwash salinization processes impacting water supply on low-level islands, using a rare example of a monitored seawater overwash event that occurred in December 2008 at Roi-Namur Island in Kwajalein Atoll, Republic of the Marshall Islands, in which the salinity evolution of well water was measured. Due to typical lack of field data on such islands, a set of plausible alternative simulation-model descriptions of the hydrogeology and overwash event are created for analysis of the monitored salinization and recovery. Despite inability to know the 'true and complete' description of the event and the hydrogeology, the alternative models provide a range of possible evolutions of aquifer salinity. This allows identification of the controls on the rate and extent of initial salinization and of salinity persistence, which can be used as a basis for development of strategies to manage groundwater resources on low-lying islands.

Optimization of coastal protection measures on small islands in the northfrisian part of the North Sea

NASA Astrophysics Data System (ADS)

Wöffler, T.; Jensen, J.; Schüttrumpf, H.

2017-12-01

Low lying small islands are among the most vulnerable regions worldwide due to the consequences of climate change. The reasons for this are the concentration of infrastructure, geographical features and their small size. Worldwide special forms and adaptations of coastal protection strategies and measures can be found on small islands. In the northfrisian part of the North Sea worldwide unique strategies and measures have been developed in the last centuries due to the geographic location and the isolation during extreme events. One special feature of their coastal protection strategy is the lack of dikes. For this reason, the houses are built on artificial dwelling mounds in order to protect the inhabitants and their goods against frequently occurring inundations during storm surge seasons (up to 30 times a year). The Hallig islands themselves benefit by these inundations due to sediments, which are accumulated on the island's surfaces. This sedimentation has enabled a natural adaption to sea level rise in the past. Nevertheless, the construction methods of the coastal protection measures are mainly based on tradition and the knowledge of the inhabitants. No resilient design approaches and safety standards for these special structures like dwelling mounds and elevated revetments exist today. For this reason, neither a cost efficient construction nor a prioritization of measures is possible. Main part of this paper is the scientific investigation of the existing coastal protection measures with the objective of the development of design approaches and safety standards. The results will optimize the construction of the existing coastal protection measures and can be transferred to other small islands and low lying areas worldwide.

Fast Timing Study of the β- Decay of 63Mn to 63Fe

NASA Astrophysics Data System (ADS)

Olaizola, B.; Fraile, L. M.; Mach, H.; Briz, J. A.; Cal-González, J.; Ghita, D.; Köster, U.; Kurcewicz, W.; Lesher, S. R.; Pauwels, D.; Picado, E.; Poves, A.; Radulov, D.; Simpson, G. S.; Udias, J. M.

The β- decay of 63Mn to 63Fe has been studied in an experiment at ISOLDE, CERN. The previously known 63Fe level scheme has been confirmed and greatly expanded, to a total of 31 levels and 73 γ lines. The energy of the 9/2+ isomer state has been measured for the first time at 475.0 keV, completing the systematics of such states in odd-Fe isotopes below 68Ni. In addition, the lifetimes of the low-lying states have been measured, allowing the tentative assignment of the spin-parity sequence for those levels.

Commentary: Working memory training and ADHD - where does its potential lie? Reflections on Chacko et al. (2014).

PubMed

Gathercole, Susan E

2014-03-01

Chacko et al.'s investigation of the clinical utility of WM training to alleviate key symptoms of ADHD is timely and substantial, and marks a significant point in cognitive training research. Cogmed Working Memory Training (CWMT) involves intensive practice on multiple memory span tasks that increase in difficulty as performance improves with practice. Relative to a placebo version in which the span level of the memory tasks are kept at a low fixed level, Chacko et al. () found that CWMT boosted the performance of children with ADHD on short-term memory (STM) tasks similar to trained activities. Complex WM span measures sharing little overlap with the structure of training activities were not enhanced. Neither did active CWMT ameliorate classic symptoms of ADHD such as parent or teacher ratings of attentional problems, or direct measures of motor impulsivity and sustained attention. Reading, spelling, comprehension or mathematics scores similarly showed no response to training. © 2014 The Authors. Journal of Child Psychology and Psychiatry. © 2014 Association for Child and Adolescent Mental Health.

Molecular mechanism of biological and therapeutical effect of low-intensity laser irradiation

NASA Astrophysics Data System (ADS)

Mostovnikov, Vasili A.; Mostovnikova, Galina R.; Plavski, Vitali Y.; Plavskaja, Ljudmila G.; Morozova, Raisa P.

1995-05-01

The investigations carried out in our group on biological systems of various organization level (enzyme molecules in solution, human and animal cell cultures), allowed us to conclude, that the light-induced changes of spatial structure of cells components form the basis of biological activity (and as a consequence therapeutic effect) of various wavelength low-intensity laser emission. Photophysical mechanism of these changes lies in the reorientation of highregulated anisotropic parts (domains) with the liquid-crystalline type of ordering of the cell components due to the interaction between the electric field and the light induced integral electric dipole of the domain. The mechanism of such reorientation is well established in physics of liquid crystals of nematic type and is known as light induced analogue of Frederix's effect. The following results enable us to draw the conclusion about the determining role of the orientations effects on the biological activity mechanism of low-intensity laser radiation: (i) the possibility of reversible modification of spatial structure and enzyme molecules functional activity under the influence of laser radiation outside the band of their own or admixture absorption; (ii) the dependence of biological effect of laser radiation on the functional activity of cells vs. polarization degree of the light with the maximum photobiological effects observed for linear-polarized radiation; (iii) the equivalence of a static magnetic field and low-intensity laser radiation in action on functional activity of the cells and the lowering of the laser field intensity for the achieving the difinite changes of the cell functional activity in the presence of static magnetic field.

Biophysical principles of regulatory action of low-intensity laser irradiation

NASA Astrophysics Data System (ADS)

Mostovnikov, Vasili A.; Mostovnikova, Galina R.; Plavski, Vitali Y.; Plavskaja, Ljudmila G.

1996-01-01

The investigations carried out in our group on biological systems of various organization level (enzyme molecules in solution, human and animal cell cultures), allowed us to conclude, that the light-induced changes of spatial structure of cells components form the basis of biological activity (and as a consequence therapeutic effect) of various wavelength low-intensity laser emission. Photophysical mechanism of these changes lies in the reorientation of highregulated anisotropic parts (domains) with the liquid-crystalline type of ordering of the cell components due to the interaction between the electric field and the light induced integral electric dipole of the domain. The mechanism of such reorientation is well established in physics of liquid crystals of nematic type and is known as light induced analogue of Frederix's effect. The following results enable us to draw the conclusion about the determining role of the orientations effects on the biological activity mechanism of low-intensity laser radiation: (1) the possibility of reversible modification of spatial structure and enzyme molecules functional activity under the influence of laser radiation outside the band of their own or admixture absorption; (2) the dependence of biological effect of laser radiation on the functional activity of cells vs. polarization degree of the light with the maximum photobiological effects observed for linear-polarized radiation; (3) the equivalence of a static magnetic field and low-intensity laser radiation in action on functional activity of the cells and the lowering of the laser field intensity for the achieving the definite changes of the cell functional activity in the presence of static magnetic field.

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.

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.

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.

A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO(-).

PubMed

Roy, Soumendra K; Jian, Tian; Lopez, Gary V; Li, Wei-Li; Su, Jing; Bross, David H; Peterson, Kirk A; Wang, Lai-Sheng; Li, Jun

2016-02-28

The observation of the gaseous UFO(-) anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO(-) is linear with an O-U-F structure and a (3)H4 spectral term derived from a U 7sσ(2)5fφ(1)5fδ(1) electron configuration, whereas the ground state of neutral UFO has a (4)H(7/2) spectral term with a U 7sσ(1)5fφ(1)5fδ(1) electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO-

NASA Astrophysics Data System (ADS)

Roy, Soumendra K.; Jian, Tian; Lopez, Gary V.; Li, Wei-Li; Su, Jing; Bross, David H.; Peterson, Kirk A.; Wang, Lai-Sheng; Li, Jun

2016-02-01

The observation of the gaseous UFO- anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO- is linear with an O-U-F structure and a 3H4 spectral term derived from a U 7sσ25fφ15fδ1 electron configuration, whereas the ground state of neutral UFO has a 4H7/2 spectral term with a U 7sσ15fφ15fδ1 electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

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.

Coastal Impact Underestimated From Rapid Sea Level Rise

NASA Astrophysics Data System (ADS)

Anderson, John; Milliken, Kristy; Wallace, Davin; Rodriguez, Antonio; Simms, Alexander

2010-06-01

A primary effect of global warming is accelerated sea level rise, which will eventually drown low-lying coastal areas, including some of the world's most populated cities. Predictions from the Fourth Assessment Report of the Intergovernmental Panel on Climate Change (IPCC) suggest that sea level may rise by as much as 0.6 meter by 2100 [Solomon et al., 2007]. However, uncertainty remains about how projected melting of the Greenland and Antarctic ice sheets will contribute to sea level rise. Further, considerable variability is introduced to these calculations due to coastal subsidence, especially along the northern Gulf of Mexico (see http://tidesandcurrents.noaa.gov/sltrends/sltrends.shtml).

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.

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.

Low eigenvalues of the entanglement Hamiltonian, localization length, and rare regions in one-dimensional disordered interacting systems

NASA Astrophysics Data System (ADS)

Berkovits, Richard

2018-03-01

The properties of the low-lying eigenvalues of the entanglement Hamiltonian and their relation to the localization length of a disordered interacting one-dimensional many-particle system are studied. The average of the first entanglement Hamiltonian level spacing is proportional to the ground-state localization length and shows the same dependence on the disorder and interaction strength as the localization length. This is the result of the fact that entanglement is limited to distances of order of the localization length. The distribution of the first entanglement level spacing shows a Gaussian-type behavior as expected for level spacings much larger than the disorder broadening. For weakly disordered systems (localization length larger than sample length), the distribution shows an additional peak at low-level spacings. This stems from rare regions in some samples which exhibit metalliclike behavior of large entanglement and large particle-number fluctuations. These intermediate microemulsion metallic regions embedded in the insulating phase are discussed.

Prolonged carbonate diagenesis under an evolving late cenozoic climate; Nullarbor Plain, southern Australia

NASA Astrophysics Data System (ADS)

Miller, Cody R.; James, Noel P.; Bone, Yvonne

2012-06-01

The Nullarbor Plain in southern Australia, the largest areal karst on the globe, is a ~ 240,000 km2 uplifted succession of Cenozoic marine carbonates whose surface has been exposed for 14 to 15 m.y. The middle Miocene Nullarbor Limestone forms the upper surface of the plain and hosts a complex and prolonged record of meteoric diagenesis. Such a complete record offers unique insights into the effects of climate, tectonics, sea level, topography, and hydrology on the style and placement of numerous diagenetic events in flat low lying carbonate plains. Alteration took place during three broad phases comprising eight stages that are interpreted to have formed against a background of dramatic climate change. Middle Miocene phase one diagenesis took place under a humid climate and resulted in rapid mineral equilibration, calcite cementation, extensive karst development, and finally widespread lacustrine and palustrine sedimentation. Resultant palustrine sediments, especially terrestrial ooids, are now preserved at the surface and in underlying karst cavities. Latest middle Miocene to middle Pliocene phase two diagenesis occurred during a prolonged period (~ 8 m.y.) of temperate climate and resulted in initial deep cave dissolution during low sea levels and later shallow cave development in the course of a high sea level. Onset of a somewhat more arid climate in the latest Pliocene led to the development of the modern desolate landscape of the Plain. This final phase of diagenesis involved creation of solution pits filled with black limestone pebbles, open and closed dolines with associated colluvium fill, and pervasive pedogenic calcrete. The Nullarbor Plain demonstrates that low lying carbonate plains can have low surficial erosion rates, precisely record relative sea level positions, be able to have extensive caves with extended periods of arrested calcite precipitation, and finally host extensive terrestrial ooid deposits. The importance of this comprehensive paragenetic record is its applicability to not only recognize unconformities in the rock record but to better appreciate the climate in which they formed.

Sunda epicontinental shelf and Quaternary glacial-interglacial sea level variation and their implications to the regional and global environmental change

NASA Astrophysics Data System (ADS)

Soepri Hantoro, Wahyoe

2018-02-01

Sunda Epicontinental Shelf occupies a large area between Asia and Indonesian Maritime Continent. This shallow shelf developed soon as stability of this area since Pliocene was achieved. Sedimentation and erosion started, following sea level variation of Milankovitch cycle that changed this area to, partly to entirely become a low lying open land. These changes imply a difference height of about 135 m sea level. Consequence of this changes from shallow sea during interglacial to the exposed low land during glacial period is producing different land cover that might influence to the surrounding area. As the large land surface, this area should be covered by low land tropical forest, savanna to wet coastal plain. This large low-lying land belongs an important river drainage system of South East Asia in the north (Gulf of Thailand) and another system that curved from Malay Peninsula, Sumatra, Bangka-Belitung and Kalimantan, named as Palaeo Sunda River. The total area of this land is about 1 million km2, this must bring consequences to the environmental condition. This change belongs to the global change on which the signal may be sent to a distance, then is preserved as geological formation. Being large and flat land, it has a long and winding river valley so this land influences the life of biota as fauna and flora but also human being that may live or just move on the passing through around East Asia. Global sea level changes through time which is then followed by the change of the area of land or water have indeed influenced the hydrology and carbon cycle balance. Through studying the stratigraphy and geology dynamic, based on seismic images and core samples from drilling work, one can be obtained, the better understanding the environmental change and its impact to the regional but could be global scale.

Lifetime measurements in 162Dy

NASA Astrophysics Data System (ADS)

Aprahamian, A.; Lesher, S. R.; Casarella, C.; Börner, H. G.; Jentschel, M.

2017-02-01

Background: The nature of oscillations or excitations around the equilibrium deformed nuclear shape remains an open question in nuclear structure. The 162Dy nucleus is one of the most extensively studied nuclei with the (n ,γ ), (n ,e- ), (α ,2 n ) reactions and most recently the (p ,t ) pickup reaction adding 11 0+ states to an excitation energy of 2.8 MeV to an already-well-developed level scheme. However, a major shortfall for a better understanding of the nature of the plethora of bands and levels in this nucleus has been the lack of lifetime measurements. Purpose: To determine the character of the low-lying excited bands in this 162Dy nucleus, we set out to measure the level lifetimes. Method: Lifetimes were measured in the 162Dy nucleus following neutron capture using the Gamma-Ray-Induced Doppler (GRID) broadening technique at the Institut Laue-Langevin in Grenoble, France. Results: In total, we have measured the lifetimes of 12 levels belonging to a number of excited positive- and negative-parity bands in the low-lying spectrum of the 162Dy nucleus. The lifetime of the Kπ=2+ bandhead at 888.16 keV was previously measured. We confirm this value and measure lifetimes of the 3+ and 4+ members of this band yielding B (E 2 ) values that are consistent with a single γ -vibrational phonon of several Weisskopf units. The first excited Kπ=4+ band, with a bandhead at 1535.66 keV, is strongly connected to the Kπ=2+ band with enhanced collective B (E 2 ) values and it is consistent with a double phonon vibrational (γ γ ) excitation. Lifetime of Kπ=0+ band members have also been measured, including the 4Kπ=02+ state at 1574.29 keV and the 2Kπ= 03+ state at 1728.31 keV. This latter state also displays the characteristics of a double phonon excitation built on the Kπ=2+ band. Conclusions: We discuss our findings in terms of the presence or absence of collective quadrupole and octupole vibrational excitations. We find two positive-parity excited bands at 1535.66 keV (Kπ=4+ ) and the 1728.312-keV 2+ state of a Kπ=0+ band at 1666 keV connected with sizably collective B (E 2 ) values to the (Kπ=2+ )γ band at 888 keV.

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.

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.

Fission fragment excited laser system

DOEpatents

McArthur, David A.; Tollefsrud, Philip B.

1976-01-01

A laser system and method for exciting lasing action in a molecular gas lasing medium which includes cooling the lasing medium to a temperature below about 150 K and injecting fission fragments through the lasing medium so as to preferentially excite low lying vibrational levels of the medium and to cause population inversions therein. The cooled gas lasing medium should have a mass areal density of about 5 .times. 10.sup.-.sup.3 grams/square centimeter, relaxation times of greater than 50 microseconds, and a broad range of excitable vibrational levels which are excitable by molecular collisions.

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.

Electronic Transitions of Tungsten Monosulfide

NASA Astrophysics Data System (ADS)

Tsang, L. F.; Chan, Man-Chor; Zou, Wenli; Cheung, Allan S. C.

2017-06-01

Electronic transition spectrum of the tungsten monosulfide (WS) molecule in the near infrared region between 725 nm and 885 nm has been recorded using laser ablation/reaction free-jet expansion and laser induced fluorescence spectroscopy. The WS molecule was produced by reacting laser - ablated tungsten atoms with 1% CS_{2} seeded in argon. Fifteen vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into seven electronic transition systems. The ground state has been identified to be the X^{3}Σ^{-}(0^{+}) state, and the determined vibrational frequency, ΔG_{1/2} and bond length, r_{0}, are respectively 556.7 cm^{-1} and 2.0676 Å. In addition, vibrational bands belong to another transition system involving lower state with Ω = 1 component have also been analyzed. Least-squares fit of the measured line positions yielded molecular constants for the electronic states involved. The low-lying Λ-S states and Ω sub-states of WS have been calculated using state-averaged complete active space self-consistent field (SA-CASSCF) and followed by MRCISD+Q (internally contracted multi-reference configuration interaction with singles and doubles plus Davidson's cluster correction). The active space consists of 10 electrons in 9 orbitals corresponding to the W 5d6s and S 3p shells. The lower molecular orbitals from W 5s5p and S 3s are inactive but are also correlated, and relativistic effective core potential (RECPs) are adopted to replace the core orbitals with 60 (W) and 10 (S) core electrons, respectively. Spin-orbit coupling (SOC) is calculated via the state-interaction (SI) approach with RECP spin-orbit operators using SA-CASSCF wavefunctions, where the diagonal elements in the SOC matrix are replaced by the corresponding MRCISD+Q energies calculated above. Spectroscopic constants and potential energy curves of the ground and many low-lying Λ-S states and Ω sub-states of the WS molecule are obtained. The calculated spectroscopic constants of the ground and low-lying states are generally in good agreement with our experimental determination. This work represents the first experimental investigation of the electronic and molecular structure of the WS molecule.

Penguin tissue as a proxy for relative krill abundance in East Antarctica during the Holocene.

PubMed

Huang, Tao; Sun, Liguang; Long, Nanye; Wang, Yuhong; Huang, Wen

2013-09-30

Antarctic krill (Euphausia superba) is a key component of the Southern Ocean food web. It supports a large number of upper trophic-level predators, and is also a major fishery resource. Understanding changes in krill abundance has long been a priority for research and conservation in the Southern Ocean. In this study, we performed stable isotope analyses on ancient Adélie penguin tissues and inferred relative krill abundance during the Holocene epoch from paleodiets of Adélie penguin (Pygoscelis adeliae), using inverse of δ¹⁵N (ratio of ¹⁵N/¹⁴N) value as a proxy. We find that variations in krill abundance during the Holocene are in accord with episodes of regional climate changes, showing greater krill abundance in cold periods. Moreover, the low δ¹⁵N values found in modern Adélie penguins indicate relatively high krill availability, which supports the hypothesis of krill surplus in modern ages due to recent hunt for krill-eating seals and whales by humans.

Structure of 8B from elastic and inelastic 7Be+p scattering

NASA Astrophysics Data System (ADS)

Mitchell, J. P.; Rogachev, G. V.; Johnson, E. D.; Baby, L. T.; Kemper, K. W.; Moro, A. M.; Peplowski, P.; Volya, A. S.; Wiedenhöver, I.

2013-05-01

Background: Detailed experimental knowledge of the level structure of light weakly bound nuclei is necessary to guide the development of new theoretical approaches that combine nuclear structure with reaction dynamics.Purpose: The resonant structure of 8B is studied in this work.Method: Excitation functions for elastic and inelastic 7Be+p scattering were measured using a 7Be rare isotope beam. Excitation energies ranging between 1.6 and 3.4 MeV were investigated. An R-matrix analysis of the excitation functions was performed.Results: New low-lying resonances at 1.9, 2.54, and 3.3 MeV in 8B are reported with spin-parity assignment 0+, 2+, and 1+, respectively. Comparison to the time-dependent continuum shell (TDCSM) model and ab initio no-core shell model/resonating-group method (NCSM/RGM) calculations is performed. This work is a more detailed analysis of the data first published as a Rapid Communication. J. P. Mitchell, G. V. Rogachev, E. D. Johnson, L. T. Baby, K. W. Kemper , [Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.82.011601 82, 011601(R) (2010)].Conclusions: Identification of the 0+, 2+, 1+ states that were predicted by some models at relatively low energy but never observed experimentally is an important step toward understanding the structure of 8B. Their identification was aided by having both elastic and inelastic scattering data. Direct comparison of the cross sections and phase shifts predicted by the TDCSM and ab initio no-core shell model coupled with the resonating group method is of particular interest and provides a good test for these theoretical approaches.

Bay-annulated indigo (BAI) as an excellent electron accepting building block for high performance organic semiconductors

DOEpatents

Liu, Yi; He, Bo; Pun, Andrew

2015-11-24

A novel electron acceptor based on bay-annulated indigo (BAI) was synthesized and used for the preparation of a series of high performance donor-acceptor small molecules and polymers. The resulting materials possess low-lying LUMO energy level and small HOMO-LUMO gaps, while their films exhibited high crystallinity upon thermal treatment, commensurate with high field effect mobilities and ambipolar transfer characteristics.

Bay-annulated indigo (BAI) as an excellent electron accepting building block for high performance organic semiconductors

DOEpatents

Liu, Yi; He, Bo; Pun, Andrew

2016-04-19

A novel electron acceptor based on bay-annulated indigo (BAI) was synthesized and used for the preparation of a series of high performance donor-acceptor small molecules and polymers. The resulting materials possess low-lying LUMO energy level and small HOMO-LUMO gaps, while their films exhibited high crystallinity upon thermal treatment, commensurate with high field effect mobilities and ambipolar transfer characteristics.

Climate Change and Development in Africa

DTIC Science & Technology

2013-01-01

level rise will affect low-lying coastal areas with large populations, and yields from agriculture could be reduced up to 50 percent, exacerbating...respect to the quality and consistency of aid reporting standards across various sources, and key gaps in data resources; • Completed three in...ensure that aid reporting is not left to chance but is a part of project implementation. • Work closely with country offices to understand the gaps in

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.

Structure, spectroscopy, and dynamics of the phenol-(water)2 cluster at low and high temperatures

NASA Astrophysics Data System (ADS)

Samala, Nagaprasad Reddy; Agmon, Noam

2017-12-01

Aqueous solutions are complex due to hydrogen bonding (HBing). While gas-phase clusters could provide clues on the solution behavior, most neutral clusters were studied at cryogenic temperatures. Recent results of Shimamori and Fujii provide the first IR spectrum of warm phenol-(H2O)2 clusters. To understand the temperature (T) effect, we have revisited the structure and spectroscopy of phenol-(H2O)2 at all T. While older quantum chemistry work concluded that the cyclic isomers are the most stable, the inclusion of dispersion interactions reveals that they are nearly isoenergetic with isomers forming π-HBs with the phenyl ring. Whereas the OH-stretch bands were previously assigned to purely local modes, we show that at low T they involve a concerted component. We have calculated the (static) anharmonic IR spectra for all low-lying isomers, showing that at the MP2 level, one can single out one isomer (udu) as accounting for the low-T spectrum to 3 cm-1 accuracy. Yet no isomer can explain the substantial blueshift of the phenyl-OH band at elevated temperatures. We describe the temperature effect using ab initio molecular dynamics with a density functional and basis-set (B3LYP-D3/aug-cc-pVTZ) that provide a realistic description of OH⋯O vs. OH⋯π HBing. From the dipole moment autocorrelation function, we obtain good description for both low- and high-T spectra. Trajectory visualization suggests that the ring structure remains mostly intact even at high T, with intermittent switching between OH⋯O and OH⋯π HBing and lengthening of all 3 HBs. The phenyl-OH blueshift is thus attributed to strengthening of its OH bond. A model for three beads on a ring suggests that this shift is partly offset by the elimination of coupling to the other OH bonds in the ring, whereas for the two water molecules these two effects nearly cancel.

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.

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

Jenkovszky, L. L., E-mail: jenk@bitp.kiev.ua; Kuprash, O. E., E-mail: oleg.kuprash@desy.de; Orava, R., E-mail: risto.orava@cern.ch

The cross sections for single and double diffraction dissociation at low missing masses are calculated for the LHC energies on the basis of the dual (Regge) model under the assumption of a dominant contribution of the exchange of the Pomeron Regge pole. The model reproduces the rich resonance structure in the region of low missing masses M{sub x}. Diffractively excited states lie on the nucleon trajectory M{sub x} supplemented with the isolated Roper resonance. Detailed predictions for the squared momentum transfer and missing-mass dependence of the differential and integrated single and double diffraction dissociation in the kinematical range of presentmore » and future LHC measurements are given.« less

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.

Persistent organic pollutants and porphyrins biomarkers in penguin faeces from Kopaitic Island and Antarctic Peninsula.

PubMed

Rudolph, Ignacio; Chiang, Gustavo; Galbán-Malagón, Cristóbal; Mendoza, Rafael; Martinez, Miguel; Gonzalez, Carlos; Becerra, José; Servos, Mark R; Munkittrick, Kelly R; Barra, Ricardo

2016-12-15

Polychlorinated biphenyl (PCB) levels were determined in the faeces of three Antarctic Peninsula penguin species to assess viability as a non-invasive approach for sampling PCBs in Antarctic biota. These determinations were complemented with stable isotope and porphyrins assessments, and together this methodology determined the role of diet and metabolic disruption in penguins. Up to 60% of the collected faecal samples evidenced low molecular weight PCBs, of which, the more volatile compounds were predominant, in agreement with previous results. The highest PCB levels were reported in the gentoo penguin (Pygoscelis papua; 35.3ngg -1 wet weight average), followed by the chinstrap (Pygoscelis antarctica; 6.4ngg -1 wet weight average) and Adélie penguins (Pygoscelis adeliae; 12.9ngg -1 wet weight average). Stable isotope analyses (δ 15 N and δ 13 C) demonstrated that gentoo feeding and foraging habits differed from those of Adélie and chinstrap penguins. A strong positive correlation was found between PCB concentrations and δ 15 N, indicating the role of diet on the observed pollutant levels. Porphyrins metabolite levels were also directly correlated with PCB concentrations. These results suggest that PCB levels impair the health of Antarctic penguins. Copyright © 2016 Elsevier B.V. All rights reserved.

Pressure Dependence of Excitation Cross Sections for Resonant Levels of Rare Gases

NASA Astrophysics Data System (ADS)

Stewart, Michael D.; Chilton, J. Ethan; Lin, Chun C.

2000-06-01

In the rare gases, the excited n'p^5ns and n'p^5nd levels with J = 1 are optically coupled to ground as well as lower lying p levels. Resonant photons emitted when the atom decays to ground can be reabsorbed by another ground-state atom. At low gas pressures this reabsorption occurs infrequently, but at higher pressures becomes increasingly likely until the resonant transition is completely suppressed. This enhances the cascade transitions into lower p levels, resulting in pressure dependent optical emission cross sections. This reabsorption process can be understood quantitatively with a model developed by Heddle et al(D. W. O. Heddle and N. J. Samuel, J. Phys. B 3), 1593 (1970).. The radiation from transitions into the nonresonant levels often lie in the ir, while the resonant radiation is always in the uv spectral region. Using a Fourier-transform spectrometer, one can measure the cross sections for the ir transitions as a function of pressure. The Heddle model can be fit to these data with the use of theoretical values for the Einstein A coefficients. This provides a test of the accuracy of calculated A values. Discussion will include cross section measurements for Ne, Ar, and Kr excited by electron impact over a range of gas pressures.

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.

Structure of the exotic He 9 nucleus from the no-core shell model with continuum

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

Vorabbi, Matteo; Calci, Angelo; Navratil, Petr

2018-03-13

Here, the exotic 9He nucleus, which presents one of the most extreme neutron-to-proton ratios, belongs to the N = 7 isotonic chain famous for the phenomenon of ground-state parity inversion with decreasing number of protons. Consequently, it would be expected to have an unnatural (positive) parity ground state similar to 11Be and 10Li. Despite many experimental and theoretical investigations, its structure remains uncertain. Apart from the fact that it is unbound, other properties including the spin and parity of its ground state, and the very existence of additional low-lying resonances are still a matter of debate

Magnetic and transport properties of Ga-Mn-Co full Heusler alloy

NASA Astrophysics Data System (ADS)

Samanta, Tamalika; Bhobe, P. A.

2018-04-01

We report structural, electrical and magnetic studies of the Ga rich Heusler compound Ga48Mn25Co27. The Ga-Co-Mn compounds have been predicted to be useful candidates for spintronic applications. We found that the Ga48Mn25Co27 compound crystallizes in cubic L21 structure. It shows a very low curie temperature of 88 K and a soft magnetic behavior. We observed an unusual, non-saturating magnetic hysteresis loop where the virgin curve stays out of the loop. The origin of such behavior might lie in the fact that there exist two competing magnetic sub-lattices with different exchange interactions.

Calculation of the nucleon structure function from the nucleon wave function

NASA Technical Reports Server (NTRS)

Hussar, Paul E.

1993-01-01

Harmonic oscillator wave functions have played an historically important role in our understanding of the structure of the nucleon, most notably by providing insight into the mass spectra of the low-lying states. High energy scattering experiments are known to give us a picture of the nucleon wave function at high-momentum transfer and in a frame in which the nucleon is traveling fast. A simple model that crosses the twin bridges of momentum scale and Lorentz frame that separate the pictures of the nucleon wave function provided by the deep inelastic scattering data and by the oscillator model is presented.

Vibronic structure and coupling of higher excited electronic states in carotenoids

NASA Astrophysics Data System (ADS)

Krawczyk, Stanisław; Luchowski, Rafał

2013-03-01

Absorption spectra of all-trans carotenoids (lycopene, violaxanthin, ζ-carotene) at low temperature exhibit peculiar features in the UV range. The transition to the 11Ag+ state ('cis-band') weakens on cooling, indicating that it is induced by thermal deformations of the conjugated chain. The higher energy band has unique vibrational structure indicating the vibronic coupling of nBu with another electronic state. The electroabsorption spectra point to the electric field-induced mixing of the nBu state with the vibrational continuum of a lower-lying excited state (Fano effect). These observations widen the basis for elucidation of the vibronic coupling effects in the lower excited states.

Molecular geometry of vanadium dichloride and vanadium trichloride: a gas-phase electron diffraction and computational study.

PubMed

Varga, Zoltán; Vest, Brian; Schwerdtfeger, Peter; Hargittai, Magdolna

2010-03-15

The molecular geometries of VCl2 and VCl3 have been determined by computations and gas-phase electron diffraction (ED). The ED study is a reinvestigation of the previously published analysis for VCl2. The structure of the vanadium dichloride dimer has also been calculated. According to our joint ED and computational study, the evaporation of a solid sample of VCl2 resulted in about 66% vanadium trichloride and 34% vanadium dichloride in the vapor. Vanadium dichloride is unambiguously linear in its 4Sigma(g)+ ground electronic state. For VCl3, all computations yielded a Jahn-Teller-distorted ground-state structure of C(2v) symmetry. However, it lies merely less than 3 kJ/mol lower than the 3E'' state (D(3h) symmetry). Due to the dynamic nature of the Jahn-Teller effect in this case, rigorous distinction cannot be made between the planar models of either D(3h) symmetry or C(2v) symmetry for the equilibrium structure of VCl3. Furthermore, the presence of several low-lying excited electronic states of VCl3 is expected in the high-temperature vapor. To our knowledge, this is the first experimental and computational study of the VCl3 molecule.

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.

[Thermoplastic mask in radiotherapy: a source of anxiety for the patient?].

PubMed

Arino, C; Stadelmaier, N; Dupin, C; Kantor, G; Henriques de Figueiredo, B

2014-12-01

The thermoplastic mask often used to immobilize patients in radiotherapy can cause varying levels of stress and anxiety. This study aimed at evaluating the anxiety related to the use of radiotherapy masks and the coping strategies adopted by patients. Nineteen patients treated with radiotherapy mask for head and neck cancer, a brain tumour or a lymphoma, were met twice by a psychologist, either after the making of the mask and the first course of radiotherapy, or in the middle and at the end of treatment. Thirty-four semi-structured interviews were treated using a thematic content analysis and 13 patients answered to anxiety (STAI-YB) and coping (WCC) scales. The STAI-YB anxiety scores related to wearing the masks were low during the radiotherapy treatment period, and were confirmed by the remarks of patients recorded during the semi-structured interviews. Most patients had a positive perception of the mask, and considered it as a friend or protection. Twelve out of the 13 patients admitting to anxiety benefited from problem focused coping strategies. Thermoplastic mask-related anxiety is low and possibly lies in the positive representation patients have about the mask. The explanations provided by health professionals on the radiotherapy mask possibly have a very positive effect on this perception. Copyright © 2014 Société française de radiothérapie oncologique (SFRO). Published by Elsevier SAS. All rights reserved.

Repeated ruminal acidosis challenges in lactating dairy cows at high and low risk for developing acidosis: feeding, ruminating, and lying behavior.

PubMed

DeVries, T J; Beauchemin, K A; Dohme, F; Schwartzkopf-Genswein, K S

2009-10-01

An experiment was conducted to determine whether the susceptibility to ruminal acidosis, as defined through differences in days in milk (DIM), milk production level, and ration composition, influences cow feeding, ruminating, and lying behavior and whether these behaviors change during an acute bout of ruminal acidosis. Eight ruminally cannulated cows were assigned to 1 of 2 acidosis risk levels: low risk (LR, mid-lactation cows fed a 60:40 forage:concentrate ratio diet) or high risk (HR, early lactation cows fed a 45:55 forage:concentrate diet). As a result, diets were intentionally confounded with DIM and milk production to represent 2 different acidosis risk scenarios. Cows were exposed to an acidosis challenge in each of three 14-d periods. Each period consisted of 3 baseline days, a feed restriction day (restricting total mixed ration to 50% of ad libitum intake), an acidosis challenge day (1 h meal of 4 kg of ground barley/wheat before allocating the total mixed ration), and a recovery phase. Feeding, rumination, and standing/lying behavior were recorded for 2 baseline days, on the challenge day, and 1 and 4 d after the challenge day for each cow. Across the study, there were no differences in measures of standing, lying, or feeding behavior between the 2 groups of cows. The HR cows did, on average, spend less time ruminating (491 vs. 555 min/d) than the LR cows, resulting in a lesser percentage of observed cows ruminating across the day (44.6 vs. 48.1%). The acidosis challenge resulted in changes in behavior in all cows. Compared with the baseline, feeding time increased on the first day after the challenge (395 vs. 310 min/d), whereas lying time decreased (565 vs. 634 min/d). Rumination time decreased the first day following the challenge (436 min/d) relative to the baseline (533 min/d), but increased the following day (572 min/d). Fewer cows were observed to be ruminating at a given time on the first day following the challenge as compared with the baseline period. Despite this, on a herd level, numerous observations of the proportion of cows ruminating at any one time would need to be taken to accurately detect an acute bout of acidosis using changes in rumination behavior. Overall, these results suggest that risk of acidosis may have little overall effect on general behavior, with the exception of rumination. Furthermore, an acute bout of acidosis alters behavioral patterns of lactating dairy cows, particularly rumination behavior, and identification of these changes in behavior through repeated measurements may assist in the detection of an acidosis event within a herd.

Geological and hydrogeological investigation in West Malaysia

NASA Technical Reports Server (NTRS)

Ahmad, J. B. (Principal Investigator)

1976-01-01

The author has identified the following significant results. The broad synoptic view of the images allowed easy identification of circular features and major fault traces in low lying areas. Sedimentary units were delineated in accordance with the prevailing rock types and where applicable the folding characteristics. Igneous units could easily be differentiated by tone, degree of fracturing, texture, and drainage pattern. The larger fold structures, anticlinoriums and synclinoriums, of the younger sediments on the eastern edge of the central belt could also be easily delineated.

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.

Subspace-Aware Index Codes

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

Kailkhura, Bhavya; Theagarajan, Lakshmi Narasimhan; Varshney, Pramod K.

In this paper, we generalize the well-known index coding problem to exploit the structure in the source-data to improve system throughput. In many applications (e.g., multimedia), the data to be transmitted may lie (or can be well approximated) in a low-dimensional subspace. We exploit this low-dimensional structure of the data using an algebraic framework to solve the index coding problem (referred to as subspace-aware index coding) as opposed to the traditional index coding problem which is subspace-unaware. Also, we propose an efficient algorithm based on the alternating minimization approach to obtain near optimal index codes for both subspace-aware and -unawaremore » cases. In conclusion, our simulations indicate that under certain conditions, a significant throughput gain (about 90%) can be achieved by subspace-aware index codes over conventional subspace-unaware index codes.« less

Subspace-Aware Index Codes

DOE PAGES

Kailkhura, Bhavya; Theagarajan, Lakshmi Narasimhan; Varshney, Pramod K.

2017-04-12

In this paper, we generalize the well-known index coding problem to exploit the structure in the source-data to improve system throughput. In many applications (e.g., multimedia), the data to be transmitted may lie (or can be well approximated) in a low-dimensional subspace. We exploit this low-dimensional structure of the data using an algebraic framework to solve the index coding problem (referred to as subspace-aware index coding) as opposed to the traditional index coding problem which is subspace-unaware. Also, we propose an efficient algorithm based on the alternating minimization approach to obtain near optimal index codes for both subspace-aware and -unawaremore » cases. In conclusion, our simulations indicate that under certain conditions, a significant throughput gain (about 90%) can be achieved by subspace-aware index codes over conventional subspace-unaware index codes.« less

Space-based detection of wetlands' surface water level changes from L-band SAR interferometry

USGS Publications Warehouse

Wdowinski, S.; Kim, S.-W.; Amelung, F.; Dixon, T.H.; Miralles-Wilhelm, F.; Sonenshein, R.

2008-01-01

Interferometric processing of JERS-1 L-band Synthetic Aperture Radar (SAR) data acquired over south Florida during 1993-1996 reveals detectable surface changes in the Everglades wetlands. Although our study is limited to south Florida it has implication for other large-scale wetlands, because south Florida wetlands have diverse vegetation types and both managed and natural flow environments. Our analysis reveals that interferometric coherence level is sensitive to wetland vegetation type and to the interferogram time span. Interferograms with time spans less than six months maintain phase observations for all wetland types, allowing characterization of water level changes in different wetland environments. The most noticeable changes occur between the managed and the natural flow wetlands. In the managed wetlands, fringes are organized, follow patterns related to some of the managed water control structures and have high fringe-rate. In the natural flow areas, fringes are irregular and have a low fringe-rate. The high fringe rate in managed areas reflects dynamic water topography caused by high flow rate due to gate operation. Although this organized fringe pattern is not characteristic of most large-scale wetlands, the high level of water level change enables accurate estimation of the wetland InSAR technique, which lies in the range of 5-10??cm. The irregular and low rate fringe pattern in the natural flow area reflects uninterrupted flow that diffuses water efficiently and evenly. Most of the interferograms in the natural flow area show an elongated fringe located along the transitional zone between salt- and fresh-water wetlands, reflecting water level changes due to ocean tides. ?? 2007 Elsevier Inc. All rights reserved.

Antarctic climate change: extreme events disrupt plastic phenotypic response in Adélie penguins.

PubMed

Lescroël, Amélie; Ballard, Grant; Grémillet, David; Authier, Matthieu; Ainley, David G

2014-01-01

In the context of predicted alteration of sea ice cover and increased frequency of extreme events, it is especially timely to investigate plasticity within Antarctic species responding to a key environmental aspect of their ecology: sea ice variability. Using 13 years of longitudinal data, we investigated the effect of sea ice concentration (SIC) on the foraging efficiency of Adélie penguins (Pygoscelis adeliae) breeding in the Ross Sea. A 'natural experiment' brought by the exceptional presence of giant icebergs during 5 consecutive years provided unprecedented habitat variation for testing the effects of extreme events on the relationship between SIC and foraging efficiency in this sea-ice dependent species. Significant levels of phenotypic plasticity were evident in response to changes in SIC in normal environmental conditions. Maximum foraging efficiency occurred at relatively low SIC, peaking at 6.1% and decreasing with higher SIC. The 'natural experiment' uncoupled efficiency levels from SIC variations. Our study suggests that lower summer SIC than currently observed would benefit the foraging performance of Adélie penguins in their southernmost breeding area. Importantly, it also provides evidence that extreme climatic events can disrupt response plasticity in a wild seabird population. This questions the predictive power of relationships built on past observations, when not only the average climatic conditions are changing but the frequency of extreme climatic anomalies is also on the rise.

Antarctic Climate Change: Extreme Events Disrupt Plastic Phenotypic Response in Adélie Penguins

PubMed Central

Lescroël, Amélie; Ballard, Grant; Grémillet, David; Authier, Matthieu; Ainley, David G.

2014-01-01

In the context of predicted alteration of sea ice cover and increased frequency of extreme events, it is especially timely to investigate plasticity within Antarctic species responding to a key environmental aspect of their ecology: sea ice variability. Using 13 years of longitudinal data, we investigated the effect of sea ice concentration (SIC) on the foraging efficiency of Adélie penguins (Pygoscelis adeliae) breeding in the Ross Sea. A ‘natural experiment’ brought by the exceptional presence of giant icebergs during 5 consecutive years provided unprecedented habitat variation for testing the effects of extreme events on the relationship between SIC and foraging efficiency in this sea-ice dependent species. Significant levels of phenotypic plasticity were evident in response to changes in SIC in normal environmental conditions. Maximum foraging efficiency occurred at relatively low SIC, peaking at 6.1% and decreasing with higher SIC. The ‘natural experiment’ uncoupled efficiency levels from SIC variations. Our study suggests that lower summer SIC than currently observed would benefit the foraging performance of Adélie penguins in their southernmost breeding area. Importantly, it also provides evidence that extreme climatic events can disrupt response plasticity in a wild seabird population. This questions the predictive power of relationships built on past observations, when not only the average climatic conditions are changing but the frequency of extreme climatic anomalies is also on the rise. PMID:24489657

Resolution of a Low-Lying Placenta and Placenta Previa Diagnosed at the Midtrimester Anatomy Scan.

PubMed

Durst, Jennifer K; Tuuli, Methodius G; Temming, Lorene A; Hamilton, Owen; Dicke, Jeffrey M

2018-02-05

To identify the incidence and resolution rates of a low-lying placenta or placenta previa and to assess the optimal time to perform follow-up ultrasonography (US) to assess for resolution. We conducted a retrospective cohort study of women with a diagnosis of a low-lying placenta or placenta previa at routine anatomic screening. Follow-up US examinations were reviewed to estimate the proportion of women who had resolution. A Kaplan-Meier survival curve was generated to estimate the median time to resolution. The distance of the placental edge from the internal cervical os was used to categorize the placenta as previa or low-lying (0.1-10 or ≥ 10-20 mm). A time-to-event analysis was used to estimate predictive factors and the time to resolution by distance from the os. A total of 1663 (8.7%) women had a diagnosis of a low-lying placenta or placenta previa. The cumulative resolution for women who completed 1 or more additional US examinations was 91.9% (95% confidence interval, 90.2%-93.3%). The median time to resolution was 10 (interquartile range [IQR], 7-13) weeks. The distance from the internal cervical os was known for 658 (51.0%) women. The probability of resolution was inversely proportional to the distance from the internal os: 99.5% (≥10-20 mm), 95.4% (0.1-10 mm), and 72.3% (placenta previa; P < .001). The median times to resolution were 9 (IQR, 7-12) weeks for 10 to 20 mm, 10 (IQR, 7-13) weeks for 0.1 to 10 mm, and 12 (IQR, 9-15) weeks for placenta previa (P = .0003, log rank test). A low-lying placenta or placenta previa diagnosed at the midtrimester anatomy survey resolves in most patients. Resolution is near universal in patients with an initial distance from the internal os of 10 mm or greater. © 2018 by the American Institute of Ultrasound in Medicine.

Hydrodynamic Restoration to Vulnerable Marsh Ecosystems to Improve Response to Sea Level Rise

NASA Astrophysics Data System (ADS)

Orescanin, M. M.; Hamilton, R. P., Jr.

2016-12-01

Rising sea levels pose imminent threats to low-lying marsh ecosystems owing to delicate balances between water levels, salinity, and sediment transport. Further complications arise from human modifications to these low-lying coastal areas that modify topography, thus altering tidal exchanges. The Milford Neck Conservation Area, near Milford, DE, is a salt marsh system on Delaware Bay that has undergone morphological modifications owing to both human activity and natural processes resulting in damage to the surrounding marsh habitats. A century-old abandoned canal acted as a physical barrier to any tidal exchange for upland marsh for decades, allowing land at low elevations to be dry and used for agricultural activities. However, a breach to the system in the 1980s created a link to Delaware Bay that flooded salt hay fields, creating a large area of open water. Owing to tidal restrictions in the system, it has been difficult to transport sufficient sediment and water into the system to promote natural marsh growth. At the same time, the eroding barrier beach increases vulnerability to sea level rise and storms of increasing severity and frequency, and places upland forest at risk of episodic salt intrusion. To increase the effectiveness of this area as a barrier to sea level rise, it is necessary to increase marsh resiliency. Hydrodynamic measurements collected during fall 2015 and spring/summer 2016 show tidal choking in the system that limits exchange of salt water from Delaware Bay and prevents drainage from storm runoff. Numerical model results using the hydrodynamic model, CMS-flow, confirm tidal choking in this system and suggest localized areas are responsible for the most significant reduction in tidal exchange between the marsh and Delaware Bay. Analysis of hypsometry of the area combined with potential for improving tidal flushing suggest the possibility of restoring close to 400 acres of open water and damaged marsh.

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.

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).

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

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.

Incorporating Tsunami Projections to Sea Level Rise Vulnerability Assessments -A Case Study for Midway Atoll-

NASA Astrophysics Data System (ADS)

Gica, E.; Reynolds, M.

2012-12-01

Recent global models predict a rise of approximately one meter in global sea level by 2100, with potentially larger increases in areas of the Pacific Ocean. If current climate change trends continue, low-lying islands across the globe may become inundated over the next century, placing island biodiversity at risk. Adding to the risk of inundation due to sea level rise is the occurrence of cyclones and tsunamis. This combined trend will affect the low-lying islands of the Northwestern Hawaiian Islands and it is therefore important to assess its impact since these islands are critical habitats to many endangered endemic species and support the largest tropical seabird rookery in the world. The 11 March 2011 Tohoku (Mw=8.8) earthquake-tsunami affected the habitat of many endangered endemic species in Midway Atoll National Wildlife Refuge because all three islands (Sand, Eastern and Spit) were inundated by tsunami waves. At present sea level, some tsunamis from certain source regions would not affect Midway Atoll. For example, the previous earthquake-tsunamis such as the 15 November 2006 Kuril (Mw=8.1) and 13 February 2007 Kuril (Mw=7.9) were not significant enough to affect Midway Atoll. But at higher sea levels, tsunamis with similar characteristics could pose a threat to such terrestrial habitats and wildlife. To visualize projected impacts to vegetation composition, wildlife habitat, and wildlife populations, we explored and analyzed inundation vulnerability for a range of possible sea level rise and tsunami scenarios at Midway Atoll National Wildlife Refuge. Studying the combined threat of tsunamis and sea level rise can provide more accurate and comprehensive assessments of the vulnerability of the unique natural resources on low-lying islands. A passive sea level rise model was used to determine how much inundation will occur at different sea level rise values for the three islands of Midway Atoll and each scenario was coupled with NOAA Center for Tsunami Research's tsunami forecasting tool. The tsunami forecasting tool was used to generate tsunami scenarios from different source regions and served as boundary conditions for inundation models to project the coastal impact at Midway Atoll. Underlying the tsunami forecast tool is a database of pre-computed tsunami propagation runs for discrete sections of the earth's subduction zones that are the principal locus of tsunami-generating activity. The new LiDAR topographic data, which is the first high resolution elevation data for three individual islands of Midway Atoll, was used for both the passive sea level rise model and inundation model for Midway Atoll. Results of the study will indicate how the combined climate change and tsunami occurrence will affect Midway Atoll and can therefore be used for early climate change adaptation and mitigation planning, especially for vulnerable species and areas of the Atoll.

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.

Utilizing the NASA and NOAA Joint Ocean Surface Topography Mission to Assess Patterns and Trends in Sea-Surface Height in the U.S. Affiliated Pacific Islands

NASA Astrophysics Data System (ADS)

Fitzgerald, S. S.; Walker, K. A.; Courtright, A. B.; Young, I. J.

2017-12-01

The United States Affiliated Pacific Islands (USAPI) are home to a population of low-lying coral atolls which are extremely vulnerable to sea level rise. Coastal infrastructure like groundwater reservoirs, harbor operations, and sewage systems, as well as natural coastal features such as reefs and beach ecosystems, are most vulnerable during inundation events. These Pacific Islanders face increasing hazards as coastal flooding infiltrates freshwater resources and may even lead to displacement. The two main components of inundation include tidal fluctuations and sea level anomalies; however, low-lying atolls are also vulnerable to the additional influence of waves. This study created a climatology of significant wave height in the Republic of the Marshall Islands (RMI), and incorporated this dataset with tides and sea level anomalies to create a novel approach to assessing inundation flood risk in the RMI. The risk metric was applied to the RMI as a study site with the goal of assessing wider-scale applicability across the rest of the USAPI. The inclusion of wave height and wave direction as a crucial component of the risk metric will better inform USAPI coastal-managers for future inundation events and disaster preparedness. In addition to the risk metric, a wave-rose atlas was created for decision-makers in the RMI. This study highlights the often-overlooked region of the Pacific and demonstrates the application of the risk metric to specific examples in the RMI.

Genetic and epigenetic diversity and structure of Phragmites australis from local habitats of the Songnen Prairie using amplified fragment length polymorphism markers.

PubMed

Qiu, T; Jiang, L L; Yang, Y F

2016-08-19

The genetic and epigenetic diversity and structure of naturally occurring Phragmites australis populations occupying two different habitats on a small spatial scale in the Songnen Prairie in northeastern China were investigated by assessing amplified fragment length polymorphisms (AFLPs) and methylation-sensitive amplified polymorphisms (MSAPs) through fluorescent capillary detection. The two groups of P. australis were located in a seasonal waterlogged low-lying and alkalized meadow with a pH of 8-8.5 and in an alkaline patch without accumulated rainwater and with a pH greater than 10. These groups showed high levels of genetic diversity at the habitat level based on the percentage of polymorphic bands (90.32, 82.56%), Nei's gene diversity index (0.262, 0.248), and the Shannon diversity index (0.407, 0.383). Although little is known about the between-habitat genetic differentiation of P. australis on a small spatial scale, our results implied significant genetic differentiation between habitats. Extensive epigenetic diversity within habitats, along with clear differentiation, was found. Specifically, the former habitat (Habitat 1, designated H1) harbored higher levels of genetic and epigenetic diversity than the latter (Habitat 2, designated H2), and population-level diversity was also high. This study represents one of few attempts to predict habitat-based genetic differentiation of reeds on a small scale. These assessments of genetic and epigenetic variation are integral aspects of molecular ecological studies on P. australis. Possible causes for within- and between-habitat genetic and epigenetic variations are discussed.

Theory of mind deficits for processing counterfactual information in persons with chronic schizophrenia

PubMed Central

Kern, Robert S.; Green, Michael F.; Fiske, Alan P.; Kee, Kimmy S.; Lee, Junghee; Sergi, Mark J.; Horan, William P.; Subotnik, Kenneth L.; Sugar, Catherine A.; Nuechterlein, Keith H.

2010-01-01

Background Interpersonal communication problems are common among persons with schizophrenia and may be tied, in part, to deficits in theory of mind – 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. Method The present study included 50 schizophrenia or schizoaffective outpatients and 44 demographically comparable healthy adults who were administered Part III of The Awareness of Social Inferences Test (TASIT; a measure assessing comprehension of sarcasm vs. lies) as well as measures of positive and negative symptoms and community functioning. Results The TASIT data were analyzed using a 2 (group: patients vs. healthy adults) x 2 (condition: sarcasm vs. lie) repeated measures ANOVA. The results showed 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 patients to perform significantly worse on sarcasm vs. lie scenes; controls performed comparably on both. In patients, performance on the 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. Conclusions 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. PMID:18694537

Children and Parents: Together in the World. 1970 White House Conference on Children, Report of Forum 15. (Working Copy).

ERIC Educational Resources Information Center

Department of Health, Education, and Welfare, Washington, DC.

The low priority according to children and families in our way of life is reflected in policies and actions at national, state, and local levels. We like to think of America as a child-oriented society but, in fact, our priorities lie more in the pursuit of affluence, and the worship of material things and technology. A broken television set or a…

Exciton States in a Gaussian Confining Potential Well

NASA Astrophysics Data System (ADS)

Xie, Wen-Fang; Gu, Juan

2003-11-01

We consider the problem of an electron-hole pair in a Gaussian confining potential well. This problem is treated within the effective-mass approximation framework using the method of numerical matrix diagonalization. The energy levels of the low-lying states are calculated as a function of the electron-hole effective mass ratio and the size of the confining potential. The project supported by National Natural Science Foundation of China under Grant No. 10275014

Regional P wave velocity structure of the Northern Cascadia Subduction Zone

USGS Publications Warehouse

Ramachandran, K.; Hyndman, R.D.; Brocher, T.M.

2006-01-01

This paper presents the first regional three-dimensional, P wave velocity model for the Northern Cascadia Subduction. Zone (SW British Columbia and NW Washington State) constructed through tomographic inversion of first-arrival traveltime data from active source experiments together with earthquake traveltime data recorded at permanent stations. The velocity model images the structure of the subducting Juan de Fuca plate, megathrust, and the fore-arc crust and upper mantle. Beneath southern Vancouver Island the megathrust above the Juan de Fuca plate is characterized by a broad zone (25-35 km depth) having relatively low velocities of 6.4-6.6 km/s. This relative low velocity zone coincides with the location of most of the episodic tremors recently mapped beneath Vancouver Island, and its low velocity may also partially reflect the presence of trapped fluids and sheared lower crustal rocks. The rocks of the Olympic Subduction Complex are inferred to deform aseismically as evidenced by the lack of earthquakes withi the low-velocity rocks. The fore-arc upper mantle beneath the Strait of Georgia and Puget Sound is characterized by velocities of 7.2-7.6 km/s. Such low velocities represent regional serpentinization of the upper fore-arc mantle and provide evidence for slab dewatering and densification. Tertiary sedimentary basins in the Strait of Georgia and Puget Lowland imaged by the velocity model lie above the inferred region of slab dewatering and densification and may therefore partly result from a higher rate of slab sinking. In contrast, sedimentary basins in the Strait of Juan de Fuca lie in a synclinal depression in the Crescent Terrane. The correlation of in-slab earthquake hypocenters M>4 with P wave velocities greater than 7.8 km/s at the hypocenters suggests that they originate near the oceanic Moho of the subducting Juan de Fuca plate. Copyright 2006 by the American Geophysical Union.

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.

Should I stay or should I go? Hormonal control of nest abandonment in a long-lived bird, the Adélie penguin.

PubMed

Spée, Marion; Beaulieu, Michaël; Dervaux, Antoine; Chastel, Olivier; Le Maho, Yvon; Raclot, Thierry

2010-11-01

According to life-history theory, long-lived birds should favor their survival over the current reproductive attempt, when breeding becomes too costly. In seabirds, incubation is often associated with spontaneous long-term fasting. Below a threshold in body reserves, hormonal and metabolic shift characteristics of a switch from lipid to protein utilization (phase III, PIII) occur. These metabolic changes are paralleled by nest abandonment and stimulation of refeeding behavior. Parental behavior is then under control of two hormones with opposite effects: corticosterone (CORT) and prolactin which stimulate foraging and incubation behavior, respectively. The aim of this study was to determine the respective role of these two hormones in nest abandonment by Adélie penguins. To this end, plasma hormone levels were measured before egg-laying and at departure from the colony (i.e. when birds were relieved by their partner or abandoned their nest), and related to nutritional state and incubation success. We found that males abandoning their nest in PIII presented high CORT levels and low prolactin levels. Interestingly, males which presented high plasma levels of prolactin in PIII did not abandon. We show that although CORT is the first hormone to be affected by prolonged energy constraints, the combined effects of high CORT and low prolactin levels are necessary for parents to favor self-maintenance and abandon the nest. We provide insights into time-course changes of the endocrine profile as PIII proceeds and report that reaching proteolytic late fasting is not sufficient to induce nest abandonment in a long-lived bird. Copyright © 2010 Elsevier Inc. 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 theoretical study on the geometry and spectroscopic properties of ground-state and local minima isomers of (CuS)n=2-6 clusters

NASA Astrophysics Data System (ADS)

Luque-Ceballos, Jonathan C.; Posada-Borbón, Alvaro; Herrera-Urbina, Ronaldo; Aceves, R.; Juárez-Sánchez, J. Octavio; Posada-Amarillas, Alvaro

2018-03-01

Spectroscopic properties of gas-phase copper sulfide clusters (CuS)n (n = 2-6) are calculated using Density Functional Theory (DFT) and time-dependent (TD) DFT approaches. The energy landscape of the potential energy surface is explored through a basin-hopping DFT methodology. Ground-state and low-lying isomer structures are obtained. The global search was performed at the B3PW91/SDD level of theory. Normal modes are calculated to validate the existence of optimal cluster structures. Energetic properties are obtained for the ground-state and isomer clusters and their relative energies are evaluated for probing isomerization. This is a few tenths of an eV, except for (CuS)2 cluster, which presents energy differences of ∼1 eV. Notable differences in the infrared spectra exist between the ground-state and first isomer structures, even for the (CuS)5 cluster, which has in both configurations a core copper pyramid. TDDFT provides the simulated absorption spectrum, presenting a theoretical description of optical absorption bands in terms of electronic excitations in the UV and visible regions. Results exhibit a significant dependence of the calculated UV/vis spectra on clusters size and shape regarding the ground state structures. Optical absorption is strong in the UV region, and weak or forbidden in the visible region of the spectrum.

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.

Preoperative chemoradiotherapy creates an opportunity to perform sphincter preserving resection for low-lying locally advanced rectal cancer based on an oncologic outcome study

PubMed Central

Lu, Zhen-Hai; Wu, Xiao-Jun; Chen, Gong; Ding, Pei-Rong; Li, Li-Ren; Gao, Yuan-Hong; Zeng, Zhi-Fan; Wan, De-Sen; Pan, Zhi-Zhong

2016-01-01

Low-lying locally advanced rectal cancer (LARC) after preoperative chemoradiotherapy (CRT) can be surgically removed by either abdominperineal resection (APR) or sphincter preserving resection (SPR). This retrospective cohort study of 251 consecutive patients with low lying LARC who underwent CRT followed by radical surgery in a single institute, between March 2003 and November 2012, aimed to compare the oncological benefits between the two groups. 3-year disease free survival (DFS), overall survival (OS), cumulative incidence of recurrence and postoperative complications were compared between the two approaches. With median follow-up of 48.6 months, SPR group had higher 3-year DFS rate (86.4% vs 73.6%, P=0.023) and lower incidence of distant recurrence (12.0% vs 23.7%, P=0.026). The postoperative complications, incidence of local recurrence and the 3-year OS were comparable between the two groups. Pathologic T and N stage were the independent predictors for 3-year DFS (P=0.020 and P<0.001). In conclusion, our study suggest that low-lying LARC patients with a significant response to preoperative CRT can benefit from the advantage of SPR in preserving the anal sphincter function without compromising their oncologic outcome. PMID:27374175

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.

Theory of low transitions in CO discharge lasers

NASA Technical Reports Server (NTRS)

Sidney, B. D.; Mcinuille, R. M.; Smith, N. S.; Hassan, H. A.

1976-01-01

A self consistent theoretical model which couples the electron and heavy particle finite rate kinetics with the optical and fluid dynamic processes has been employed to identify the various parameters and explain the mechanism responsible for producing low lying transitions in slow flowing CO lasers. It is found that lasing on low lying transitions can be achieved at low temperatures for low pressures (or low flow rates) together with high partial pressures of the He and N2. The role of N2 has been identified as an additive responsible for reducing the electron temperature to a range where the transfer of electrical power to the lower vibrational modes of CO is optimum.

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

Role of defects in ferromagnetism in Zn1-xCoxO : A hybrid density-functional study

NASA Astrophysics Data System (ADS)

Patterson, C. H.

2006-10-01

Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p - or n -type doping of Zn1-xCoxO can change its magnetic state. Bulk Zn1-xCoxO with a low defect density and x in the range used in experimental thin-film studies exhibits ferromagnetism only at very low temperatures. Therefore defects in thin-film samples or nanocrystals may play an important role in promoting magnetic interactions between Co ions in Zn1-xCoxO . The mechanism of exchange coupling induced by defect states is considered and compared to a model for ferromagnetism in dilute magnetic semiconductors [T. Dietl , Science 287, 1019 (2000)]. The electronic structures of Co substituted for Zn in ZnO, Zn, and O vacancies, substituted N, and interstitial Zn in ZnO were calculated using the B3LYP hybrid density functional in a supercell. The B3LYP functional predicts a band gap of 3.34eV for bulk ZnO, close to the experimental value of 3.47eV . Occupied minority-spin Co 3d levels are at the top of the valence band and unoccupied levels lie above the conduction-band minimum. Majority-spin Co 3d levels hybridize strongly with bulk ZnO states. The neutral O vacancy defect level is predicted to lie deep in the band gap, and interstitial Zn is predicted to be a deep donor. The Zn vacancy is a deep acceptor, and the acceptor level for substituted N is at midgap. The possibility that p - or n -type dopants promote exchange coupling of Co ions was investigated by computing the total energies of magnetic states of ZnO supercells containing two Co ions and an oxygen vacancy, substituted N, or interstitial Zn in various charge states. The neutral N defect and the singly positively charged O vacancy are the only defects which strongly promote ferromagnetic exchange coupling of Co ions at intermediate range. Total energy calculations on supercells containing two O vacancies and one Zn vacancy clearly show that pairs of singly positively charged O vacancies are unstable with respect to dissociation into neutral and doubly positively charged vacancies; the oxygen vacancy is a “negative U ” defect. This apparently precludes simple charged O vacancies as a mediator of ferromagnetism in Zn1-xCoxO .

Conical intersection seams in polyenes derived from their chemical composition

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

Nenov, Artur; Vivie-Riedle, Regina de

2012-08-21

The knowledge of conical intersection seams is important to predict and explain the outcome of ultrafast reactions in photochemistry and photobiology. They define the energetic low-lying reachable regions that allow for the ultrafast non-radiative transitions. In complex molecules it is not straightforward to locate them. We present a systematic approach to predict conical intersection seams in multifunctionalized polyenes and their sensitivity to substituent effects. Included are seams that facilitate the photoreaction of interest as well as seams that open competing loss channels. The method is based on the extended two-electron two-orbital method [A. Nenov and R. de Vivie-Riedle, J. Chem.more » Phys. 135, 034304 (2011)]. It allows to extract the low-lying regions for non-radiative transitions, which are then divided into small linear segments. Rules of thumb are introduced to find the support points for these segments, which are then used in a linear interpolation scheme for a first estimation of the intersection seams. Quantum chemical optimization of the linear interpolated structures yields the final energetic position. We demonstrate our method for the example of the electrocyclic isomerization of trifluoromethyl-pyrrolylfulgide.« less

Flooding of Ganymede's bright terrains by low-viscosity water-ice lavas.

PubMed

Schenk, P M; McKinnon, W B; Gwynn, D; Moore, J M

2001-03-01

Large regions of the jovian moon Ganymede have been resurfaced, but the means has been unclear. Suggestions have ranged from volcanic eruptions of liquid water or solid ice to tectonic deformation, but definitive high-resolution morphological evidence has been lacking. Here we report digital elevation models of parts of the surface of Ganymede, derived from stereo pairs combining data from the Voyager and Galileo spacecraft, which reveal bright, smooth terrains that lie at roughly constant elevations 100 to 1,000 metres below the surrounding rougher terrains. These topographic data, together with new images that show fine-scale embayment and burial of older features, indicate that the smooth terrains were formed by flooding of shallow structural troughs by low-viscosity water-ice lavas. The oldest and most deformed areas (the 'reticulate' terrains) in general have the highest relative elevations, whereas units of the most common resurfaced type--the grooved terrain--lie at elevations between those of the smooth and reticulate terrains. Bright terrain, which accounts for some two-thirds of the surface, probably results from a continuum of processes, including crustal rifting, shallow flooding and groove formation. Volcanism plays an integral role in these processes, and is consistent with partial melting of Ganymede's interior.

Zethrene biradicals: How pro-aromaticity is expressed in the ground electronic state and in the lowest energy singlet, triplet, and ionic states

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

Zafra, José Luis; González Cano, Rafael C.; Ruiz Delgado, M. Carmen

A analysis of the electronic and molecular structures of new molecular materials based on zethrene is presented with particular attention to those systems having a central benzo-quinoidal core able to generate Kekulé biradicals whose stability is provided by the aromaticity recovery in this central unit. These Kekulé biradicals display singlet ground electronic states thanks to double spin polarization and have low-energy lying triplet excited states also featured by the aromaticity gain. Pro-aromatization is also the driving force for the stabilization of the ionized species. Moreover, the low energy lying singlet excited states also display a profound biradical fingerprint allowing tomore » singlet exciton fission. These properties are discussed in the context of the size of the zethrene core and of its substitution. The work encompasses all known long zethrenes and makes use of a variety of experimental techniques, such as Raman, UV-Vis-NIR absorption, transient absorption, in situ spectroelectrochemistry and quantum chemical calculations. This study reveals how the insertion of suitable molecular modules (i.e., quinoidal) opens the door to new intriguing molecular properties exploitable in organic electronics.« less

A low-temperature polymorph of m-quinquephenyl.

PubMed

Gomes, Ligia R; Howie, R Alan; Low, John Nicolson; Rodrigues, Ana S M C; Santos, Luís M N B F

2012-12-01

A low-temperature polymorph of 1,1':3',1'':3'',1''':3''',1''''-quinquephenyl (m-quinquephenyl), C(30)H(22), crystallizes in the space group P2(1)/c with two molecules in the asymmetric unit. The crystal is a three-component nonmerohedral twin. A previously reported room-temperature polymorph [Rabideau, Sygula, Dhar & Fronczek (1993). Chem. Commun. pp. 1795-1797] also crystallizes with two molecules in the asymmetric unit in the space group P-1. The unit-cell volume for the low-temperature polymorph is 4120.5 (4) Å(3), almost twice that of the room-temperature polymorph which is 2102.3 (6) Å(3). The molecules in both structures adopt a U-shaped conformation with similar geometric parameters. The structural packing is similar in both compounds, with the molecules lying in layers which stack perpendicular to the longest unit-cell axis. The molecules pack alternately in the layers and in the stacked columns. In both polymorphs, the only interactions between the molecules which can stabilize the packing are very weak C-H...π interactions.

Understanding Democracy and Development Traps Using a Data-Driven Approach.

PubMed

Ranganathan, Shyam; Nicolis, Stamatios C; Spaiser, Viktoria; Sumpter, David J T

2015-03-01

Methods from machine learning and data science are becoming increasingly important in the social sciences, providing powerful new ways of identifying statistical relationships in large data sets. However, these relationships do not necessarily offer an understanding of the processes underlying the data. To address this problem, we have developed a method for fitting nonlinear dynamical systems models to data related to social change. Here, we use this method to investigate how countries become trapped at low levels of socioeconomic development. We identify two types of traps. The first is a democracy trap, where countries with low levels of economic growth and/or citizen education fail to develop democracy. The second trap is in terms of cultural values, where countries with low levels of democracy and/or life expectancy fail to develop emancipative values. We show that many key developing countries, including India and Egypt, lie near the border of these development traps, and we investigate the time taken for these nations to transition toward higher democracy and socioeconomic well-being.

Understanding Democracy and Development Traps Using a Data-Driven Approach

PubMed Central

Ranganathan, Shyam; Nicolis, Stamatios C.; Spaiser, Viktoria; Sumpter, David J.T.

2015-01-01

Abstract Methods from machine learning and data science are becoming increasingly important in the social sciences, providing powerful new ways of identifying statistical relationships in large data sets. However, these relationships do not necessarily offer an understanding of the processes underlying the data. To address this problem, we have developed a method for fitting nonlinear dynamical systems models to data related to social change. Here, we use this method to investigate how countries become trapped at low levels of socioeconomic development. We identify two types of traps. The first is a democracy trap, where countries with low levels of economic growth and/or citizen education fail to develop democracy. The second trap is in terms of cultural values, where countries with low levels of democracy and/or life expectancy fail to develop emancipative values. We show that many key developing countries, including India and Egypt, lie near the border of these development traps, and we investigate the time taken for these nations to transition toward higher democracy and socioeconomic well-being. PMID:26487983

Reproducibility and validity of the Nintendo Wii Balance Board for measuring shoulder sensorimotor control in prone lying.

PubMed

Eshoj, H; Juul-Kristensen, Birgit; Jørgensen, Rene Gam Bender; Søgaard, Karen

2017-02-01

For the lower limbs, the Nintendo Wii Balance Board (NWBB) has been widely used to measure postural control. However, this has not been performed for upper limb measurements. Further, the NWBB has shown to produce more background noise with decreasing loads, which may be of concern when used for upper limb testing. The aim was to investigate reproducibility and validity of the NWBB. A test-retest design was performed with 68 subjects completing three different prone lying, upper limb weight-bearing balance tasks on a NWBB: two-arms, eyes closed (1) one-arm, non-dominant/non-injured (2) and one-arm, dominant/injured (3). Each task was repeated three times over the course of two test sessions with a 30-min break in between. Further, the level of background noise from a NWBB was compared with a force platform through systematic loading of both boards with increasing deadweights ranging from 5 to 90kg. Test-retest reproducibility was high with ICCs ranging from 0.95 to 0.97 (95% CI 0.92 to 0.98). However, systematic bias and tendencies for funnel effects in the Bland Altman plots for both one-armed tests were present. The concurrent validity of the NWBB was low (CCC 0.17 (95% CI 0.12-0.22)) due to large differences between the NWBB and force platform in noise sensitivity at low deadweights (especially below 50kg). The NWBB prone lying, shoulder sensorimotor control test was highly reproducible. Though, concurrent validity of the NWBB was poor compared to a force platform. Further investigation of the impact of the background noise, especially at low loads, is needed. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

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

More intelligent extraverts are more likely to deceive

PubMed Central

Riegel, Monika; Babula, Justyna; Margulies, Daniel S.; Nęcka, Edward; Grabowska, Anna; Szatkowska, Iwona

2017-01-01

The tendency to lie is a part of personality. But are personality traits the only factors that make some people lie more often than others? We propose that cognitive abilities have equal importance. People with higher cognitive abilities are better, and thus more effective liars. This might reinforce using lies to solve problems. Yet, there is no empirical research that shows this relationship in healthy adults. Here we present three studies in which the participants had free choice about their honesty. We related differences in cognitive abilities and personality to the odds of lying. Results show that personality and intelligence are both important. People low on agreeableness and intelligent extraverts are most likely to lie. This suggests that intelligence might mediate the relationship between personality traits and lying frequency. While personality traits set general behavioral tendencies, intelligence and environment set boundaries. PMID:28448608

Suggestion for the detection of TiO2 in interstellar medium

NASA Astrophysics Data System (ADS)

Kumar Sharma, Mohit; Sharma, Monika; Chandra, Suresh

2017-09-01

Since all the carbon in oxygen-rich stars is locked into carbon monoxide (CO), how the formation of dust takes place in their environment is a matter of great interest. Being a refractory species, the titanium dioxide (TiO2) is thought to play important role in the dust-condensation sequence. The TiO2 is detected in the environment of red supergiant VY Canis Majoris through sub-millimeter wavelengths. All these lines are between the levels lying at high energies for which large kinetic temperature in the region is required. Based on the detailed study of transfer of radiation, we propose for the identification of TiO2 through its transitions between low lying levels. Using spectroscopic data, we have calculated energies of 100 rotational levels of para-TiO2 (up to 82 cm^{-1}) and the Einstein A-coefficients for radiative transitions between the levels. These Einstein A-coefficients along with the scaled values of collisional rate coefficients, we have solved a set of 100 statistical equilibrium equations coupled with 436 equations of radiative transfer. We have found 9 transitions having anomalous absorption and 6 transitions showing emission features. These transitions may help in identification of TiO2 in a cosmic object.

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

The recent history and population structure of five Mandarina snail species from subtropical Ogasawara (Bonin Islands, Japan).

PubMed

Davison, Angus; Chiba, Satoshi

2006-09-01

The effect of Pleistocene climate change on the organisms of tropical and subtropical regions is rather poorly understood. We therefore studied the land snail genus Mandarina (Bradybaenidae) of oceanic Ogasawara (Bonin Islands, Japan), with the aim of using population genetic data to understand their recent history. Our analysis of a mitochondrial 16S ribosomal RNA region from more than 600 snails in five ground-living species suggests that populations on the small islands of Mukoujima, Anejima, Imotojima and Meijima, as well as on the low-lying southern and central parts of Hahajima, have probably undergone recent bottlenecks followed by subsequent expansions. Except between the main island of Hahajima and Mukouijima, there is almost no evidence for gene flow among islands even though the islands were connected repeatedly by land bridges through the Pleistocene. Within islands the population structure is severe, suggestive of a long-term, low level of gene flow (F(ST) is frequently greater than 0.5 among geographically close populations). Finally, there is a marked genetic patchiness, meaning that genetically close populations are sometimes separated by genetically distant populations. These patterns could be a consequence of expansion from bottlenecks, low active dispersal and founder effects caused by rare long-distance migrants. Unfortunately, the exact nature of the refugia and bottlenecks remains unknown because the palaeoclimate of this region is poorly understood. Dating the population size changes is also challenging because the molecular clock is uncertain. We suggest, however, that arid conditions or deforestation induced by decreased atmospheric CO(2) may have been the main factor in determining population size.

The Narrow Cold-Frontal Rainband of 22/23 November 2013

NASA Technical Reports Server (NTRS)

Kidd, Christopher

2015-01-01

The recent paper in Weather by Young (2014) provided a detailed analysis of an intensive cold front as it passed over the UK on 2223 November 2013. This was an extremely good example of linear convection, as it is described in the paper, or a narrow cold-frontal rainband (NCFR; Hobbs and Biswas, 1979). These features are associated with a low-level jet that lies ahead and parallel to the surface cold front, generating a band of intense but relatively shallow convection (see Koch and Kocin, 1991). Although the structure associated with these systems is not uncommon (e.g. Gatzen, 2011), this case was notable for the (linear) length and the longevity of the feature. Critically, fine-scale radar observations using the 1km, 5min UK composite radar product, produced by the UK Met Office and supplied by the British Atmospheric Data Centre, enabled the timing and progression of the most intense band of this feature tobe examined (see Figure 1).

7Be(p,gamma)8B S-factor from Ab Initio Wave Functions

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

Navratil, P; Bertulani, C A; Caurier, E

2006-10-12

There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic two- and three-nucleon interactions the ab initio no-core shell model (NCSM) predicts low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. We present here a brief overview of the first steps taken toward nuclear reaction applications. In particular, we discuss our calculation of the {sup 7}Be(p,{gamma}){sup 8}B S-factor. We also present our first results of the {sup 3}He({alpha},{gamma}){sup 7}Be S-factor and of the S-factor of the mirror reaction {sup 3}H({alpha},{gamma}){sup 7}Li.more » The {sup 7}Be(p,{gamma}){sup 8}B and {sup 3}He({alpha},{gamma}){sup 7}Be reactions correspond to the most important uncertainties in solar model predictions of neutrino fluxes.« less

D-A-D-Typed Hole Transport Materials for Efficient Perovskite Solar Cells: Tuning Photovoltaic Properties via the Acceptor Group.

PubMed

Xu, Peng; Liu, Peng; Li, Yuanyuan; Xu, Bo; Kloo, Lars; Sun, Licheng; Hua, Yong

2018-06-13

Two D-A-D-structured hole-transport materials (YN1 and YN2) have been synthesized and used in perovskite solar cells. The two HTMs have low-lying HOMO levels and impressive mobility. Perovskite-based solar cells (PSCs) fabricated with YN2 showed a power conversion efficiency (PCE) value of 19.27% in ambient air, which is significantly higher than that of Spiro-OMeTAD (17.80%). PSCs based on YN1 showed an inferior PCE of 16.03%. We found that the incorporation of the stronger electron-withdrawing group in the HTM YN2 improves the PCE of PSCs. Furthermore, the YN2-based PSCs exhibit good long-term stability retaining 91.3% of its initial efficiency, whereas PSCs based on Spiro-OMeTAD retained only 42.2% after 1000 h lifetime (dark conditions). These promising results can provide a new strategy for the design of D-A-D HTMs for PSC applications in future.

On the ion-pair dissociation mechanisms in the small NaCl·(H2 O)6 cluster: A perspective from reaction path search calculations.

PubMed

Takayanagi, Toshiyuki; Nakatomi, Taiki; Yonetani, Yoshiteru

2018-04-20

We performed reaction path search calculations for the NaCl·(H 2 O) 6 cluster using the global reaction route mapping (GRRM) code to understand the atomic-level mechanisms of the NaCl → Na +  + Cl - ionic dissociation induced by water solvents. Low-lying minima, transition states connecting two local minima and corresponding intrinsic reaction coordinates on the potential energy surface are explored. We found that the NaCl distances at the transitions states for the dissociation pathways were distributed in a relatively wide range of 2.7-3.7 Å and that the NaCl distance at the transition state did not correlate with the commonly used solvation coordinates. This suggests that the definition of the transition states with specific structures as well as good reaction coordinate is very difficult for the ionic dissociation process even in a small water cluster. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (α-Fe2O3) as a benchmark.

PubMed

Liao, Peilin; Carter, Emily A

2011-09-07

Quantitative characterization of low-lying excited electronic states in materials is critical for the development of solar energy conversion materials. The many-body Green's function method known as the GW approximation (GWA) directly probes states corresponding to photoemission and inverse photoemission experiments, thereby determining the associated band structure. Several versions of the GW approximation with different levels of self-consistency exist in the field. While the GWA based on density functional theory (DFT) works well for conventional semiconductors, less is known about its reliability for strongly correlated semiconducting materials. Here we present a systematic study of the GWA using hematite (α-Fe(2)O(3)) as the benchmark material. We analyze its performance in terms of the calculated photoemission/inverse photoemission band gaps, densities of states, and dielectric functions. Overall, a non-self-consistent G(0)W(0) using input from DFT+U theory produces physical observables in best agreement with experiments. This journal is © the Owner Societies 2011

Giant oscillating thermopower at oxide interfaces

PubMed Central

Pallecchi, Ilaria; Telesio, Francesca; Li, Danfeng; Fête, Alexandre; Gariglio, Stefano; Triscone, Jean-Marc; Filippetti, Alessio; Delugas, Pietro; Fiorentini, Vincenzo; Marré, Daniele

2015-01-01

Understanding the nature of charge carriers at the LaAlO3/SrTiO3 interface is one of the major open issues in the full comprehension of the charge confinement phenomenon in oxide heterostructures. Here, we investigate thermopower to study the electronic structure in LaAlO3/SrTiO3 at low temperature as a function of gate field. In particular, under large negative gate voltage, corresponding to the strongly depleted charge density regime, thermopower displays high negative values of the order of 104–105μVK−1, oscillating at regular intervals as a function of the gate voltage. The huge thermopower magnitude can be attributed to the phonon-drag contribution, while the oscillations map the progressive depletion and the Fermi level descent across a dense array of localized states lying at the bottom of the Ti 3d conduction band. This study provides direct evidence of a localized Anderson tail in the two-dimensional electron liquid at the LaAlO3/SrTiO3 interface. PMID:25813265

Positive parity low spin states of odd-mass tellurium isotopes

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

Yazar, Harun Resit

2006-11-15

In this work, we analyse the positive parity of states of odd-mass nucleus within the framework of interacting boson fermion model. The result of an IBFM-1 multilevel calculation with the lg{sub 9/2}, 2d{sub 5/2}, 2d{sub 3/2}, 3s{sub 1/2} and one level, 1h{sub 11/2} with negative parity, single particle orbits is reported for the positive parity states of the odd mass nucleus {sup 123-125}Te. Also, an IBM-1 calculation is presented for the low-lying states in the even-even {sup 124-126}Te core nucleus. The energy levels and B (E2) transition probabilities were calculated and compared with the experimental data. It was found thatmore » the calculated positive parity low spin state energy spectra of the odd-mass {sup 123-125}Te isotopes agree quite well with the experimental data.« less

The HCO+-H2 van der Waals interaction: Potential energy and scattering

NASA Astrophysics Data System (ADS)

Massó, H.; Wiesenfeld, L.

2014-11-01

We compute the rigid-body, four-dimensional interaction potential between HCO+ and H2. The ab initio energies are obtained at the coupled-cluster single double triple level of theory, corrected for Basis Set Superposition Errors. The ab initio points are fit onto the spherical basis relevant for quantum scattering. We present elastic and rotationally inelastic coupled channels scattering between low lying rotational levels of HCO+ and para-/ortho-H2. Results are compared with similar earlier computations with He or isotropic para-H2 as the projectile. Computations agree with earlier pressure broadening measurements.

The HCO⁺-H₂ van der Waals interaction: potential energy and scattering.

PubMed

Massó, H; Wiesenfeld, L

2014-11-14

We compute the rigid-body, four-dimensional interaction potential between HCO(+) and H2. The ab initio energies are obtained at the coupled-cluster single double triple level of theory, corrected for Basis Set Superposition Errors. The ab initio points are fit onto the spherical basis relevant for quantum scattering. We present elastic and rotationally inelastic coupled channels scattering between low lying rotational levels of HCO(+) and para-/ortho-H2. Results are compared with similar earlier computations with He or isotropic para-H2 as the projectile. Computations agree with earlier pressure broadening measurements.

Interference stabilization of atoms in a strong laser field for obtaining inversion and lasing in the visible and VUV frequency ranges

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

Bogatskaya, A. V., E-mail: annabogatskaya@gmail.com; Volkova, E. A.; Popov, A. M.

2016-09-15

The interference stabilization of Rydberg atoms in strong laser fields is proposed for producing a plasma channel with the inverse population. Inversion between a group of Rydberg levels and low-lying excited levels and the ground state permits amplification and lasing in the IR, visible, and VUV frequency ranges. The lasing and light amplification processes in the plasma channel are analyzed using rate equations and the efficiency of this method is compared with that in the usual method for high harmonic generation during rescattering of electrons by a parent ion.

Stability Behavior and Thermodynamic States of Iron and Manganese in Sandy Soil Aquifer, Manukan Island, Malaysia

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

Lin, Chin Yik, E-mail: cy_lin_ars@hotmail.com; Abdullah, Mohd. Harun; Musta, Baba

2011-03-15

A total of 20 soil samples were collected from 10 boreholes constructed in the low lying area, which included ancillary samples taken from the high elevation area. Redox processes were investigated in the soil as well as groundwater in the shallow groundwater aquifer of Manukan Island, Sabah, Malaysia. Groundwater samples (n = 10) from each boreholes were also collected in the low lying area to understand the concentrations and behaviors of Fe and Mn in the dissolved state. This study strives to obtain a general understanding of the stability behaviors on Fe and Mn at the upper unsaturated and themore » lower-saturated soil horizons in the low lying area of Manukan Island as these elements usually play a major role in the redox chemistry of the shallow groundwater. Thermodynamic calculations using PHREEQC showed that the groundwater samples in the study area are oversaturated with respect to goethite, hematite, Fe(OH){sub 3} and undersaturated with respect to manganite and pyrochroite. Low concentrations of Fe and Mn in the groundwater might be probably due to the lack of minerals of iron and manganese oxides, which exist in the sandy aquifer. In fact, high organic matters that present in the unsaturated horizon are believed to be responsible for the high Mn content in the soil. It was observed that the soil samples collected from high elevation area (BK) comprises considerable amount of Fe in both unsaturated (6675.87 mg/kg) and saturated horizons (31440.49 mg/kg) compared to the low Fe content in the low lying area. Based on the stability diagram, the groundwater composition lies within the stability field for Mn{sup 2+} and Fe{sup 2+} under suboxic condition and very close to the FeS/Fe{sup 2+} stability boundary. This study also shows that both pH and Eh values comprise a strong negative value thus suggesting that the redox potential is inversely dependent on the changes of pH.« 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

High power factor in thiospinels Cu2 T r Ti3S8 ( T r = Mn, Fe, Co, Ni) arising from TiS6 octahedron network

NASA Astrophysics Data System (ADS)

Hashikuni, Katsuaki; Suekuni, Koichiro; Usui, Hidetomo; Ohta, Michihiro; Kuroki, Kazuhiko; Takabatake, Toshiro

2016-10-01

Thermoelectric properties and electronic structures of n-type thiospinels Cu2T r Ti3S8 composed of CuS4 tetrahedron and (Tr/Ti)S6 octahedron network have been studied for T r = Mn, Fe, Co, and Ni. The samples with T r = Mn, Co, and Ni exhibit metallic behaviors in the electrical resistivity (ρ) and rather large and negative thermopower (S), leading to a high power factor (S2/ρ) of 0.4-0.6 mW/K2 m at 650 K. In addition to the superior electrical properties, relatively low thermal conductivity of ˜2 W/Km gives rise to a dimensionless figure of merit ZT reaching 0.16-0.18 at 650 K. The analysis of the temperature dependent magnetic susceptibility indicates that the Mn, Fe, and Ni ions are in high-spin divalent states while the Co2+ ion is in a low-spin nonmagnetic state. This electronic state for the Co2+ in Cu2CoTi3S8 is consistent with our first-principles electronic structure calculation indicating that the Fermi level lies in the conduction bands composed mainly of Ti-3d, Co-3d, and S-3p orbitals. The Ti-3d and S-3p orbitals forming the octahedron network likely results in high power factors irrespective of Tr elements. The addition of Co-3d orbitals makes a peak with steep slope in the density of states near the Fermi level, leading to the further enhanced power factor.

Strategy Guideline: Energy Retrofits for Low-Rise Multifamily Buildings in Cold Climates

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

Frozyna, K.; Badger, L.

2013-04-01

This Strategy Guideline explains the benefits of evaluating and identifying energy efficiency retrofit measures that could be made during renovation and maintenance of multifamily buildings. It focuses on low-rise multifamily structures (three or fewer stories) in a cold climate. These benefits lie primarily in reduced energy use, lower operating and maintenance costs, improved durability of the structure, and increased occupant comfort. This guideline focuses on retrofit measures for roof repair or replacement, exterior wall repair or gut rehab, and eating system maintenance. All buildings are assumed to have a flat ceiling and a trussed roof, wood- or steel-framed exterior walls,more » and one or more single or staged boilers. Estimated energy savings realized from the retrofits will vary, depending on the size and condition of the building, the extent of efficiency improvements, the efficiency of the heating equipment, the cost and type of fuel, and the climate location.« less

Low-lying scalars in an extended linear σ model

NASA Astrophysics Data System (ADS)

Mukherjee, Tamal K.; Huang, Mei; Yan, Qi-Shu

2012-12-01

We formulate an extended linear σ model of a quarkonia nonet and a tetraquark nonet as well as a complex isosinglet (glueball) by virtue of chiral symmetry SUL(3)×SUR(3) and UA(1) symmetry. In the linear realization formalism, we study the mass spectra and components of the low-lying scalars and pseudoscalars in this model. The mass matrices for physical states are obtained and the glueball candidates are examined. We find that the model can accommodate the mass spectra of low-lying states quite well. Our fits indicate that the most glueball-like scalar should be 2 GeV or higher while the glueball pseudoscalar is η(1756). We also examine the parameter region where the lightest isoscalar f0(600) can be the glueball and quarkonia dominant but find such a parameter region may be confronted with the problem of the unbounded vacuum from below.

Understanding Singlet and Triplet Excitons in Acene Crystals from First Principles

NASA Astrophysics Data System (ADS)

Rangel Gordillo, Tonatiuh; Sharifzadeh, Sahar; Kronik, Leeor; Neaton, Jeffrey

2014-03-01

Singlet fission, a process in which two triplet excitons are formed from a singlet exciton, has the potential to increase the solar cell efficiencies above 100%. Efficient singlet fission has been reported in larger acene crystals, such as tetracene and pentacene, in part attributable to their low-lying triplet energies. In this work, we use many-body perturbation theory within the GW approximation and the Bethe-Salpeter equation approach to compute quasiparticle gaps, low-lying singlet and and triplet excitations, and optical absorption spectra across the entire acene family of crystals, from benzene to hexacene. We closely examine the degree of localization and charge-transfer character of the low-lying singlets and triplets, and their sensitivity to crystal environment, and discuss implications for the efficiency of singlet fission in this systems. This work supported by DOE and computational resources provided by NERSC.

Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.

PubMed

Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide

2018-04-24

We report a bioinspired synthesis of 2,5-dihydropentalene-based chromophores from an aliphatic oligoketone bearing 1,3- and 1,4-diketone subunits. Unlike the natural polyketone sequence, fused five-membered rings were formed via an intramolecular aldol condensation. A subsequent Knoevenagel condensation reaction with malononitrile furnished a multiply cross-conjugated π-system with low-lying LUMO levels. Furthermore, pentalenes obtained from a non-conjugated aliphatic chain exhibited visible absorption and solid-state fluorescence.

The calculation of neutron capture gamma-ray yields for space shielding applications

NASA Technical Reports Server (NTRS)

Yost, K. J.

1972-01-01

The application of nuclear models to the calculation of neutron capture and inelastic scattering gamma yields is discussed. The gamma ray cascade model describes the cascade process in terms of parameters which either: (1) embody statistical assumptions regarding electric and magnetic multipole transition strengths, level densities, and spin and parity distributions or (2) are fixed by experiment such as measured energies, spin and parity values, and transition probabilities for low lying states.

Large scale shell model study of nuclear spectroscopy in nuclei around 132Sn

NASA Astrophysics Data System (ADS)

Lo Iudice, N.; Bianco, D.; Andreozzi, F.; Porrino, A.; Knapp, F.

2012-10-01

The properties of low-lying 2+ states in chains of nuclei in the proximity of the magic number N=82 are investigated within a new shell model approach exploiting an iterative algorithm alternative to Lanczos. The calculation yields levels and transition strengths in overall good agreement with experiments. The comparative analysis of the E2 and M1 transitions supports, in many cases, the scheme provided by the interacting boson model.

Chemical Synthesis of ZnS:Cu Nanosheets

NASA Astrophysics Data System (ADS)

Bodo, Bhaskarjyoti; Kalita, P. K.

2010-10-01

ZnS thin films are synthesized through chemical bath deposition (CBD) technique from aqueous solution of ZnSO4 and thiourea mixing in equal volume and equimolar ratio. A 1% CuSO4 solution is mixed with the ZnSO4 solution for doping before the final chemical reaction. SEM image shows the formation of mainly nanosheets, teeth and comb like structures. Absorption studies show red shift of enhanced band gap on Cu doping. Photoluminescence of ZnS:Cu reveals the enhancement of blue luminescence at 468 nm and low intensity green emission at 493 nm which is attributed to more Cu2+ lying in the interstices. XRD shows that the prepared ZnS nanophosphors possess cubic zinc blende structures.

M1 transitions between low-lying states in the sdg-IBM-2

NASA Astrophysics Data System (ADS)

Casperson, Robert; Werner, Volker

2006-10-01

The interplay between collective and single-particle degrees of freedom for nuclei in the A=90 region have recently been under investigation. In Molybdenum and Ruthenium nuclei, collective symmetric and mixed-symmetric structures have been identified, while in Zirconium, underlying shell-structure plays an enhanced role. Collective symmetric structures appear when protons and neutrons are in phase, whereas mixed-symmetric structures occur when they are not. The one-phonon 2^+ mixed-symmetric state was identified from strong M1 transitions to the 2^+1 state. Similar transitions were observed between higher-spin states, and are predicted by the shell model. These phenomena will be investigated within the sdg Interacting Boson Model 2 in order to obtain a better understanding about the structure of the states involved, and results from first model calculations will be presented. Work supported by US DOE under grant number DE-FG02-91ER-40609.

Full-dimensional Quantum Calculations of Rovibrational Transitions in CS induced by H2

NASA Astrophysics Data System (ADS)

Yang, Benhui; Zhang, Peng; Stancil, Phillip; Bowman, J.; Balakrishnan, N.; Forrey, R.

2017-04-01

Carbon monosulfide (CS), the sulfur analogue of carbon monoxide, has been widely observed in a variety interstellar regions. An accurate prediction of its abundance requires collisional rate coefficients with ambient gases. However, the collisional rate coefficients are largely unknown and primarily rely on theoretical scattering calculations. In interstellar clouds, the dominant collision partner is H2. Rate coefficient data on CS-H2 collisions are limited to pure rotational transitions and no data exist for rovibrational transitions. In this work we evaluate the first full-dimensional potential energy surface for the CS-H2 system using high-level electronic structure theory and perform explicit quantum close-coupling calculations of rovibrational transitions in CS induced by H2 collisions. Cross sections and rate coefficients for rotational transitions are compared with previous theoretical results obtained within a rigid-rotor model. For rovibrational transitions, state-to-state rate coefficients are evaluated for several low-lying rotational levels in the first excited vibrational level of CS. Results are presented for both para-H2 and ortho-H2 collision partners. Work at UGA and Emory are supported by NASA Grant No. NNX16AF09G, at UNLV by NSF Grant No. PHY-1505557, and at Penn State by NSF Grant No. PHY-1503615.

Low-Lying Electronic States of AlZn Calculated by MRCI+Q Method

NASA Astrophysics Data System (ADS)

Zhang, Shudong; Wang, Mingxu; Wang, Zifan; Hu, Kun; Dong, Jingping

2017-07-01

Some low-lying electronic states of AlZn have been studied by the ab initio calculation method of multireference configuration interaction (MRCI). The complete potential energy curves (PECs) of the three lowest doublet states (X2Π, A2Σ+, and B2Π) and the two lowest quartet states (a4Σ- and b4Π) are computed in the range of R = 0.1-0.9 nm and these states are correlated to three dissociation limits, X2Π and A2Σ+ to Zn(4s2,1S) + Al(3s23p1,2P), a4Σ- and b4Π to Zn(4s2,1S) + Al(3s13p2,4P), and B2Π to Zn(4s14p1,3P) + Al(3s23p1,2P). The calculated PECs indicate that the A2Σ+ state has a very shallow potential well and the other states show significant binding-state characteristics. The equilibrium internuclear distances Re, dissociation energies De, and term energies Te for the electronic excited states were obtained. All the possible vibrational levels, rotational constants, and spectral constants for the four bound states were computed by solving the radial Schrödinger equation of nuclear motion with the Level8.0 program provided by Le Roy.

Destination memory and deception: when I lie to Barack Obama about the moon.

PubMed

Haj, Mohamad El; Saloppé, Xavier; Nandrino, Jean Louis

2018-05-01

This study investigates whether deceivers demonstrate high memory of the person to whom lies have been told (i.e., high destination memory). Participants were asked to tell true information (e.g., the heart is a vital organ) and false information (e.g., the moon is bigger than the sun) to pictures of famous people (e.g., Barack Obama) and, in a subsequent recognition test, they had to remember to whom each type of information had previously been told. Participants were also assessed on a deception scale to divide them into two populations (i.e., those with high vs. those with low deception). Participants with high tendency to deceive demonstrated similar destination memory for both false and true information, whereas those with low deception demonstrated higher destination memory for lies than for true information. Individuals with a high tendency to deceive seem to keep track of the destination of both true information and lies to be consistent in their future social interactions, and thus to avoid discovery of their deception. However, the inconsistency between deceiving and the moral standard of individuals with a low tendency to deceive may result in high destination memory in these individuals.

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.

Observing Organic Molecules in Interstellar Gases: Non Equilibrium Excitation.

NASA Astrophysics Data System (ADS)

Wiesenfeld, Laurent; Faure, Alexandre; Remijan, Anthony; Szalewicz, Krzysztof

2014-06-01

In order to observe quantitatively organic molecules in interstellar gas, it is necessary to understand the relative importance of photonic and collisional excitations. In order to do so, collisional excitation transfer rates have to be computed. We undertook several such studies, in particular for H_2CO and HCOOCH_3. Both species are observed in many astrochemical environments, including star-forming regions. We found that those two molecules behave in their low-lying rotational levels in an opposite way. For cis methyl-formate, a non-equilibrium radiative transfer treatment of rotational lines is performed, using a new set of theoretical collisional rate coefficients. These coefficients have been computed in the temperature range 5 to 30 K by combining coupled-channel scattering calculations with a high accuracy potential energy surface for HCOOCH_3 -- He. The results are compared to observations toward the Sagittarius B2(N) molecular cloud. A total of 2080 low-lying transitions of methyl formate, with upper levels below 25 K, were treated. These lines are found to probe a cold (30 K), moderately dense (n ˜ 104 cm-3) interstellar gas. In addition, our calculations indicate that all detected emission lines with a frequency below 30 GHz are collisionally pumped weak masers amplifying the background of Sgr B2(N). This result demonstrates the generality of the inversion mechanism for the low-lying transitions of methyl formate. For formaldehyde, we performed a similar non-equilibrium treatment, with H_2 as the collisional partner, thanks to the accurate H_2CO - H_2 potential energy surface . We found very different energy transfer rates for collisions with para-H_2 (J=0) and ortho-H_2 (J=1). The well-known absorption against the cosmological background of the 111→ 101 line is shown to depend critically on the difference of behaviour between para and ortho-H_2, for a wide range of H_2 density. We thank the CNRS-PCMI French national program for continuous support and the CHESS Herschel KP program for travel supports. Discussions with C. Ceccarelli, P. Hily-Blant and S. Maret are acknowledged.

Effect of low velocity impact damage on the natural frequency of composite plates

NASA Astrophysics Data System (ADS)

Chok, E. Y. L.; Majid, D. L. A. A.; Harmin, M. Y.

2017-12-01

Biodegradable natural fibers have been suggested to replace the hazardous synthetic fibers in many aerospace applications. However, this notion has been limited due to their low mechanical properties, which leads to the idea of hybridizing the two materials. Many aircraft components such as radome, aft body and wing are highly susceptible to low velocity impact damage while in-service. The damages degrade the structural integrity of the components and change their dynamic characteristics. In worst case scenario, the changes can lead to resonance, which is an excessive vibration. This research is conducted to study the dynamic characteristic changes of low velocity impact damaged hybrid composites that is designed for aircraft radome applications. Three materials, which are glass fiber, kenaf fiber and kenaf/glass fiber hybrid composites, have been impacted with 3J, 6J and 9J of energy. Cantilevered and also vertically clamped boundary conditions are used and the natural frequencies are extracted for each of the specimens. The obtained results show that natural frequency decreases with increasing impact level. Cantilevered condition is found to induce lower modes due to the gravitational pull. To eliminate mass and geometrical effects, normalized modes are computed. Among the three materials considered, glass fiber composites have displayed the highest normalized frequency that reflects on its higher stiffness compared to the other two materials. As the damage level is increased, glass fiber composites have shown the highest frequency reduction to a maximum of 35% while kenaf composites have the least frequency reduction in the range of 1 - 18%. Thus, kenaf fiber is taken to be helpful in stalling the damage progression and reducing the effect of damage. This has been proven when the percentage frequency decrement shown by kenaf/glass fiber composite lies between glass fiber and kenaf fiber composites.

Sedimentologic and diagenetic controls on aquifer properties, Lower Cretaceous Edwards Carbonate Aquifer, Texas: Implications for aquifer management

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

Hovorka, S.D.; Dutton, A.R.; Ruppel, S.C.

1994-09-01

The three-dimensional distribution of water in the Edwards aquifer was assessed using a core and log-based study. Porosity distribution reflects both depositional fabric and subsequent diagenesis. Vertical facies stacking patterns influence the depositional porosity as well as dolomitization and diagentic porosity modification. Subtidal facies deposited during sea level highstands are generally undolomitized and exhibit low porosity (5-10%); platform grainstones typically have high depositional porosity and significant solution enhancement (20-42% porosity). Dolomitized subtidal facies in tidal-flat-capped cycles have very high porosity (20-40%) because of selective dolomite dissolution in the freshwater aquifer. Porosity in gypsum beds is high in some areas becausemore » of dissolution and collapse, but low where gypsum was replaced by calcite cement. Low-energy subtidal and evaporitic units in the Maverick basin have porosity generally less than 15%. The overlying basinal packstones and grainstones have solution-enhanced porosities of 25 to 35%. Diagenesis associated with fluctuations in water chemistry near the saline-freshwater interface may explain one high-porosity trend. Other complex patterns of high and low porosity are attributed to structurally and hydrologically controlled porosity enhancement and cementation. Three-dimensional mapping of porosity trends provides data for improved aquifer management. Only about 3% of the maximum stored water lies above the water table at which natural spring flow is diminished. An average specific yield of 42% in the unconfined aquifer is determined from total porosity, changes in the water-table elevation, and changes in estimated recharge and discharge. Average storativity of 2.6 x 10{sup -4} in the confined Edwards is estimated using average porosity and barometric efficiency calculated from comparing water-level hydrographs and atmospheric pressure changes.« less

Localizing high-lying Rydberg wave packets with two-color laser fields

NASA Astrophysics Data System (ADS)

Larimian, Seyedreza; Lemell, Christoph; Stummer, Vinzenz; Geng, Ji-Wei; Roither, Stefan; Kartashov, Daniil; Zhang, Li; Wang, Mu-Xue; Gong, Qihuang; Peng, Liang-You; Yoshida, Shuhei; Burgdörfer, Joachim; Baltuška, Andrius; Kitzler, Markus; Xie, Xinhua

2017-08-01

We demonstrate control over the localization of high-lying Rydberg wave packets in argon atoms with phase-locked orthogonally polarized two-color laser fields. With a reaction microscope, we measure ionization signals of high-lying Rydberg states induced by a weak dc field and blackbody radiation as a function of the relative phase between the two-color fields. We find that the dc-field-ionization yield of high-lying Rydberg argon atoms oscillates with the relative two-color phase with a period of 2 π while the photoionization signal by blackbody radiation shows a period of π . Accompanying simulations show that these observations are a clear signature of the asymmetric localization of electrons recaptured into very elongated (low angular momentum) high-lying Rydberg states after conclusion of the laser pulse. Our findings thus open an effective pathway to control the localization of high-lying Rydberg wave packets.

Low-energy nuclear spectroscopy in a microscopic multiphonon approach

NASA Astrophysics Data System (ADS)

Lo Iudice, N.; Ponomarev, V. Yu; Stoyanov, Ch; Sushkov, A. V.; Voronov, V. V.

2012-04-01

The low-lying spectra of heavy nuclei are investigated within the quasiparticle-phonon model. This microscopic approach goes beyond the quasiparticle random-phase approximation by treating a Hamiltonian of separable form in a microscopic multiphonon basis. It is therefore able to describe the anharmonic features of collective modes as well as the multiphonon states, whose experimental evidence is continuously growing. The method can be put in close correspondence with the proton-neutron interacting boson model. By associating the microscopic isoscalar and isovector quadrupole phonons with proton-neutron symmetric and mixed-symmetry quadrupole bosons, respectively, the microscopic states can be classified, just as in the algebraic model, according to their phonon content and their symmetry. In addition, these states disclose the nuclear properties which are to be ascribed to genuine shell effects, not included in the algebraic approach. Due to its flexibility, the method can be implemented numerically for systematic studies of spectroscopic properties throughout entire regions of vibrational nuclei. The spectra and multipole transition strengths so computed are in overall good agreement with the experimental data. By exploiting the correspondence of the method with the interacting boson model, it is possible to embed the microscopic states into this algebraic frame and, therefore, face the study of nuclei far from shell closures, not directly accessible to merely microscopic approaches. Here, it is shown how this task is accomplished through systematic investigations of magnetic dipole and, especially, electric dipole modes along paths moving from the vibrational to the transitional regions. The method is very well suited to the study of well-deformed nuclei. It provides reliable descriptions of low-lying magnetic as well as electric multipole modes of nuclei throughout the rare-earth and actinide regions. Attention is focused here on the low-lying 0+ states produced in large abundance in recent experiments. The analysis shows that the quasiparticle-phonon model accounts for the occurrence of so many 0+ levels and discloses their nature.

Manifestly covariant classical correlation dynamics I. General theory

NASA Astrophysics Data System (ADS)

Lin, Shiru; Wang, Yanchao; Chen, Zhongfang

2018-06-01

By means of density functional theory (DFT) computations and particle-swarm optimization (PSO) structure searches, we herein predict five low-lying energy structures of two-dimensional (2D) aluminum monoxide (AlO) nanosheets. Their high cohesive energy, absence of imaginary phonon dispersion, and good thermal stability make them feasible targets for experimental realization. These monolayers exhibit diverse structural topologies, for instance, PmA- and Pmm-AlO possess buckled four- and six-membered AlO rings, whereas P62-, PmB-, and P6 m-AlO have pores of varied sizes. Interestingly, the most energetically preferred monolayers, PmA- and Pmm-AlO, feature wide band gaps (2.45 and 5.13 eV, respectively), which are promising for green and blue light-emitting devices (LEDs) and photodetectors.

Ga(+) Basicity and Affinity Scales Based on High-Level Ab Initio Calculations.

PubMed

Brea, Oriana; Mó, Otilia; Yáñez, Manuel

2015-10-26

The structure, relative stability and bonding of complexes formed by the interaction between Ga(+) and a large set of compounds, including hydrocarbons, aromatic systems, and oxygen-, nitrogen-, fluorine and sulfur-containing Lewis bases have been investigated through the use of the high-level composite ab initio Gaussian-4 theory. This allowed us to establish rather accurate Ga(+) cation affinity (GaCA) and Ga(+) cation basicity (GaCB) scales. The bonding analysis of the complexes under scrutiny shows that, even though one of the main ingredients of the Ga(+) -base interaction is electrostatic, it exhibits a non-negligible covalent character triggered by the presence of the low-lying empty 4p orbital of Ga(+) , which favors a charge donation from occupied orbitals of the base to the metal ion. This partial covalent character, also observed in AlCA scales, is behind the dissimilarities observed when GaCA are compared with Li(+) cation affinities, where these covalent contributions are practically nonexistent. Quite unexpectedly, there are some dissimilarities between several Ga(+) -complexes and the corresponding Al(+) -analogues, mainly affecting the relative stability of π-complexes involving aromatic compounds. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low-Dimensional Organic-Inorganic Halide Perovskite: Structure, Properties, and Applications.

PubMed

Misra, Ravi K; Cohen, Bat-El; Iagher, Lior; Etgar, Lioz

2017-10-09

Three-dimensional (3 D) perovskite has attracted a lot of attention owing to its success in photovoltaic (PV) solar cells. However, one of its major crucial issues lies in its stability, which has limited its commercialization. An important property of organic-inorganic perovskite is the possibility of forming a layered material by using long organic cations that do not fit into the octahedral cage. These long organic cations act as a "barrier" that "caps" 3 D perovskite to form the layered material. Controlling the number of perovskite layers could provide a confined structure with chemical and physical properties that are different from those of 3 D perovskite. This opens up a whole new batch of interesting materials with huge potential for optoelectronic applications. This Minireview presents the synthesis, properties, and structural orientation of low-dimensional perovskite. It also discusses the progress of low-dimensional perovskite in PV solar cells, which, to date, have performance comparable to that of 3 D perovskite but with enhanced stability. Finally, the use of low-dimensional perovskite in light-emitting diodes (LEDs) and photodetectors is discussed. The low-dimensional perovskites are promising candidates for LED devices, mainly because of their high radiative recombination as a result of the confined low-dimensional quantum well. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low-lying electric-dipole strengths of Ca, Ni, and Sn isotopes imprinted on total reaction cross sections

NASA Astrophysics Data System (ADS)

Horiuchi, W.; Hatakeyama, S.; Ebata, S.; Suzuki, Y.

2017-08-01

Low-lying electric-dipole (E 1 ) strength of a neutron-rich nucleus contains information on neutron-skin thickness, deformation, and shell evolution. We discuss the possibility of making use of total reaction cross sections on 40Ca, 120Sn, and 208Pb targets to probe the E 1 strength of neutron-rich Ca, Ni, and Sn isotopes. They exhibit large enhancement of the E 1 strength at neutron number N >28 , 50, and 82, respectively, due to a change of the single-particle orbits near the Fermi surface participating in the transitions. The density distributions and the electric-multipole strength functions of those isotopes are calculated by the Hartree-Fock+BCS and the canonical-basis-time-dependent-Hartree-Fock-Bogoliubov methods, respectively, using three kinds of Skyrme-type effective interaction. The nuclear and Coulomb breakup processes are respectively described with the Glauber model and the equivalent photon method in which the effect of finite-charge distribution is taken into account. The three Skyrme interactions give different results for the total reaction cross sections because of different Coulomb breakup contributions. The contribution of the low-lying E 1 strength is amplified when the low-incident energy is chosen. With an appropriate choice of the incident energy and target nucleus, the total reaction cross section can be complementary to the Coulomb excitation for analyzing the low-lying E 1 strength of unstable nuclei.

Polybrominated diphenyl ethers, polychlorinated dibenzo-dioxins, -furans, and -biphenyls in three species of Antarctic penguins.

PubMed

Corsolini, Simonetta; Borghesi, Nicoletta; Schiamone, Alessandra; Focardi, Silvano

2007-09-01

Fish-eating seabirds are recognized to be at risk of accumulating toxic contaminants due to their high position in the trophic web and to their low ability to metabolize xenobiotic compounds. Penguins are widely distributed in Antarctica and represent an important fraction of the Antarctic biomass. They feed mainly on krill and, depending on krill availability, also on fish. It has been reported that predators may be a sink for volatile and toxic chemicals and this may pose a serious environmental problem. Polybrominated diphenyl ethers (PBDEs), polychlorinated dibenzo-dioxins (PCDDs), -furans (PCDFs), and -biphenyls (PCBs), including non-ortho congeners, hexachlorobenzene (HCB) and p,p'-DDE, were quantified in three species of Antarctic Pygoscelids in order to evaluate their accumulation patterns. The potential toxicity of twenty-two dioxin-like congeners was assessed and expressed as 2,3,7,8-tetraCDD equivalents (TEQs). Differences between males and females were investigated. Blood samples of the Adélie penguin Pygoscelis adeliae, Chinstrap penguin Pygoscelis antarctica and Gentoo penguin Pygoscelis papua were collected at Admiralty Bay, King George Is (62 degrees 10'39" S, 58 degrees 26'46" W) in February 2004. Halogenated hydrocarbons were identified and quantified using gas chromatography coupled with gas chromatography mass spectrometry analyses. Results are expressed on a wet weight basis. HCB, p,p'-DDE and sigmaPCBs were higher in Adélie penguins (6.7 +/- 6.1, 8.2 +/- 3.3 and 9.8 +/- 3.8 ng/g, respectively) than in Chinstrap and Gentoo penguins, both of which showed values in the same order of magnitude, but approximately 40% lower than Adélie penguins. Hexa-CBs ranged 35-45% of the residue. Low-chlorinated PCBs (nos. 70+76+95+ 56+60+101) accounted for 40-60% in the three species. PCB101 made up 15% of the residue in Adélie penguins. PBDEs were 291 +/- 477, 107 +/- 104 and 116 +/- 108 pg/g in Adélie, Chinstrap and Gentoo penguins, respectively; the most abundant congeners were BDE47 in Adélie and Chinstrap penguins and BDE17 in Gentoo penguins. PCDDs were 22 +/- 32, 6.5 +/- 7.4 and 18 +/- 23 pg/g in Adélie, Chinstrap and Gentoo penguins, respectively. PCDFs were higher in Adélie penguins and lower in Chinstrap penguins. PCDDs/Fs and PBDEs were higher in males than in females of Gentoo and Chinstrap penguins; differences in concentrations were likely related to the partial detoxification that occurs in females during egg formation. Of the four non-ortho PCBs measured, PCB126 occurred at the highest concentrations and contributed the majority of the non-ortho PCB-TEQ in Gentoo and Chinstrap penguins. The highest TEQs were found in the Gentoo penguin and due mainly to PCDDs and non-ortho PCBs. POP concentrations in penguins were lower than those found in seabird species from other areas of the world. Different chemical accumulation patterns were observed in relation to species and sex; the Adélie penguin showed the highest POP levels. Dissimilar ecological or metabolic features may be involved; the diverse timing of reproduction steps can be responsible for those differences; moreover, Adélie penguins feed on krill (a fatty resource) more abundantly than the other two species during the rearing period. The South Shetland Islands might be subjected to a higher chemical impact with respect to the rest of Antarctica, due to their being near South America. Because penguins are fish-eating birds showing low detoxifying capacities and key-species in Antarctic ecosystems, further studies on their xenobiotic metabolism should be carried out.

Spectroscopy of the simplest Criegee intermediate CH2OO: simulation of the first bands in its electronic and photoelectron spectra.

PubMed

Lee, Edmond P F; Mok, Daniel K W; Shallcross, Dudley E; Percival, Carl J; Osborn, David L; Taatjes, Craig A; Dyke, John M

2012-09-24

CH(2)OO, the simplest Criegee intermediate, and ozone are isoelectronic. They both play very important roles in atmospheric chemistry. Whilst extensive experimental studies have been made on ozone, there were no direct gas-phase studies on CH(2)OO until very recently when its photoionization spectrum was recorded and kinetics studies were made of some reactions of CH(2)OO with a number of molecules of atmospheric importance, using photoionization mass spectrometry to monitor CH(2)OO. In order to encourage more direct studies on CH(2)OO and other Criegee intermediates, the electronic and photoelectron spectra of CH(2)OO have been simulated using high level electronic structure calculations and Franck-Condon factor calculations, and the results are presented here. Adiabatic and vertical excitation energies of CH(2)OO were calculated with TDDFT, EOM-CCSD, and CASSCF methods. Also, DFT, QCISD and CASSCF calculations were performed on neutral and low-lying ionic states, with single energy calculations being carried out at higher levels to obtain more reliable ionization energies. The results show that the most intense band in the electronic spectrum of CH(2) OO corresponds to the B(1)A' ← X(1)A' absorption. It is a broad band in the region 250-450 nm showing extensive structure in vibrational modes involving O-O stretching and C-O-O bending. Evidence is presented to show that the electronic absorption spectrum of CH(2)OO has probably been recorded in earlier work, albeit at low resolution. We suggest that CH(2)OO was prepared in this earlier work from the reaction of CH(2)I with O(2) and that the assignment of the observed spectrum solely to CH(2)IOO is incorrect. The low ionization energy region of the photoelectron spectrum of CH(2)OO consists of two overlapping vibrationally structured bands corresponding to one-electron ionizations from the highest two occupied molecular orbitals of the neutral molecule. In each case, the adiabatic component is the most intense and the adiabatic ionization energies of these bands are expected to be very close, at 9.971 and 9.974 eV at the highest level of theory used. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

The calculated rovibronic spectrum of scandium hydride, ScH

NASA Astrophysics Data System (ADS)

Lodi, Lorenzo; Yurchenko, Sergei N.; Tennyson, Jonathan

2015-07-01

The electronic structure of six low-lying electronic states of scandium hydride, X 1Σ+, a 3Δ, b 3Π, A 1Δ, c 3Σ+ and B 1Π, is studied using multi-reference configuration interaction as a function of bond length. Diagonal and off-diagonal dipole moment, spin-orbit coupling and electronic angular momentum curves are also computed. The results are benchmarked against experimental measurements and calculations on atomic scandium. The resulting curves are used to compute a line list of molecular rovibronic transitions for 45ScH.

Planning Assistance for the Town of Hamburg, County of Erie, New York, Hoover Beach.

DTIC Science & Technology

1979-12-01

area, creating swale areas which restrict overland flow into the storm drainage system . This low-lying area of the Mid Shore section also experiences...attack. The flood problems in the Mid Shore area are primarily caused by an inade- quate storm drainage system and ill-advised filling of low-lying arehs...by residents. These problems can be significantly reduced and possibly elimi- nated by improvements to the storm drainage system . Providing adequate

Observation of low-lying resonances in the quasicontinuum of 195,196Pt and enhanced astrophysical reaction rates

DOE PAGES

Giacoppo, F.; Bello Garrote, F. L.; Eriksen, T. K.; ...

2015-05-28

An excess of strength on the low-energy tail of the giant dipole resonance recently has been observed in the γ-decay from the quasicontinuum of 195,196Pt. The nature of this phenomenon is not yet fully investigated. If this feature is present also in the γ-ray strength of the neutron-rich isotopes, it can affect the neutron-capture reactions involved in the formation of heavy-elements in stellar nucleosynthesis. The experimental level density and γ-ray strength function of 195,196Pt are presented together with preliminary calculations of the corresponding neutron-capture cross sections.

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.

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.

3D structure of macropore networks within natural and de-embarked estuary saltmarsh sediments: towards an improved understanding of network structural control over hydrologic function

NASA Astrophysics Data System (ADS)

Carr, Simon; Spencer, Kate; James, Tempest; Lucy, Diggens

2015-04-01

Saltmarshes are globally important environments which, though occupying < 4% of the Earth's surface, provide a range of ecosystem services. Yet, they are threatened by sea level rise, human population growth, urbanization and pollution resulting in degradation. To compensate for this habitat loss many coastal restoration projects have been implemented over the last few decades, largely driven by legislative requirements for improved biodiversity e.g. the EU Habitats Directive and Birds Directive. However, there is growing evidence that restored saltmarshes, recreated through the return to tidal inundation of previously drained and defended low-lying coastal land, do not have the same species composition even after 100 years and while environmental enhancement has been achieved, there may be consequences for ecosystem functioning This study presents the findings of a comparative analysis of detailed sediment structure and hydrological functioning of equivalent natural and de-embanked saltmarsh sediments at Orplands Farm, Essex, UK. 3D x-ray CT scanning of triplicate undisturbed sediment cores recovered in 2013 have been used to derive detailed volumetric reconstructions of macropore structure and networks, and to infer differences in bulk microporosity between natural and de-embanked saltmarshes. These volumes have been further visualised for qualitative analysis of the main sediment components, and extraction of key macropore space parameters for quantified analysis including total porosity and connectivity, as well as structure, organisation and efficiency (tortuosity) of macropore networks. Although total porosity was significantly greater within the de-embanked saltmarsh sediments, pore networks in these samples were less organised and more tortuous, and were also inferred to have significantly lower micro-porosity than those of the natural saltmarsh. These datasets are applied to explain significant differences in the hydraulic behaviour and functioning observed between natural and de-embarked saltmarsh at Orplands. Piezometer wells and pressure transducers recorded fluctuations in water level at 15 minute intervals over a 4.5 month period (winter 2011-2012). Basic patterns for water level fluctuations in both the natural and de-embanked saltmarsh are similar and reflect tidal flooding. However, in the de-embanked saltmarsh, water levels are higher and less responsive to tidal flooding.

A reinterpretation of the electronic spectrum of pyrrole: A quantum dynamics study

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

Neville, S. P.; Worth, G. A., E-mail: g.a.worth@bham.ac.uk

The first band in the electronic spectrum of pyrrole is calculated from wavepacket propagations performed using the MCTDH method. To do so, two model Hamiltonians are constructed to describe seven low-lying excited electronic states of pyrrole. These Hamiltonians are based on the vibronic coupling model, and are parameterised via fitting to extensive CASPT2 and EOM-CCSD calculations. A detailed analysis of the structure of pyrrole's electronic spectrum in the range 5.5 to 6.5 eV is made. The role of intensity borrowing from transitions to ππ{sup *} states by lower-lying 3s and 3p Rydberg states is assessed, and reassignments of much ofmore » the spectrum are subsequently made which indicate that most of the states in the spectrum are predominantly Rydberg in character. The resulting conclusions drawn serve to highlight the limitations of assignments based on the matching of calculated vertical excitation energies and the positions of peak maxima observed in electronic spectra.« less

Energy spectra of vibron and cluster models in molecular and nuclear systems

NASA Astrophysics Data System (ADS)

Jalili Majarshin, A.; Sabri, H.; Jafarizadeh, M. A.

2018-03-01

The relation of the algebraic cluster model, i.e., of the vibron model and its extension, to the collective structure, is discussed. In the first section of the paper, we study the energy spectra of vibron model, for diatomic molecule then we derive the rotation-vibration spectrum of 2α, 3α and 4α configuration in the low-lying spectrum of 8Be, 12C and 16O nuclei. All vibrational and rotational states with ground and excited A, E and F states appear to have been observed, moreover the transitional descriptions of the vibron model and α-cluster model were considered by using an infinite-dimensional algebraic method based on the affine \\widehat{SU(1,1)} Lie algebra. The calculated energy spectra are compared with experimental data. Applications to the rotation-vibration spectrum for the diatomic molecule and many-body nuclear clusters indicate that there are solvable models and they can be approximated very well using the transitional theory.

Time-lapse imagery of Adélie penguins reveals differential winter strategies and breeding site occupation

PubMed Central

Southwell, Colin; Emmerson, Louise; Lunn, Daniel

2018-01-01

Polar seabirds adopt different over-wintering strategies to survive and build condition during the critical winter period. Penguin species either reside at the colony during the winter months or migrate long distances. Tracking studies and survey methods have revealed differences in winter migration routes among penguin species and colonies, dependent on both biotic and abiotic factors present. However, scan sampling methods are rarely used to reveal non-breeding behaviors during winter and little is known about presence at the colony site over this period. Here we show that Adélie penguins on the Yalour Islands in the Western Antarctic Peninsula (WAP) are present year-round at the colony and undergo a mid-winter peak in abundance during winter. We found a negative relationship between daylight hours and penguin abundance when either open water or compact ice conditions were present, suggesting that penguins return to the breeding colony when visibility is lowest for at-sea foraging and when either extreme low or high levels of sea ice exist offshore. In contrast, Adélie penguins breeding in East Antarctica were not observed at the colonies during winter, suggesting that Adélie penguins undergo differential winter strategies in the marginal ice zone on the WAP compared to those in East Antarctica. These results demonstrate that cameras can successfully monitor wildlife year-round in areas that are largely inaccessible during winter. PMID:29561876

Short-wave solar radiation level willingly tolerated by lactating Holstein cows in an equatorial semi-arid environment.

PubMed

Oliveira, Steffan Edward Octávio; Costa, Cíntia Carol de Melo; de Souza, João Batista Freire; de Queiroz, João Paulo Araújo Fernandes; Maia, Alex Sandro Campos; Costa, Leonardo Lelis de Macedo

2014-12-01

The amount of short-wave solar radiation willingly tolerated by lactating Holstein cows on pasture was determined in an equatorial semi-arid environment. The study was carried out on a dairy farm located in Limoeiro do Norte, CE, northeastern Brazil. The observed behaviours were as follows: grazing, under the sun, under the shade, standing, lying, ruminating, idling and wallowing in the water. The behaviours were recorded using instantaneous scan sampling at regular intervals of 15 min from 0600 to 1800 hours over 5 days. On all sampling days, the meteorological variables, including local short-wave solar radiation (R S-W, W m(-2)), were recorded. The R S-W data were divided into five levels. The sun exposure was more frequent under low (100 %) and moderately low (97 %) levels, when R S-W remained below 500 W m(-2). The grazing was more intense under low (100 %) and moderately low (93 %) levels. Above 500 W m(-2), the grazing time significantly decreased (11 %). The cows avoided grazing under high (0 %) and very high (0 %) levels, when R S-W exceeded 700 W m(-2). The ruminating behaviour was more frequent under high (33 %) and very high (37 %) levels, in which the highest averages of R S-W were recorded (815 and 958 W m(-2), respectively). The standing posture was more frequent under low (100 %) and moderately low (97 %) levels. Therefore, the critical R S-W level that motivates cows to stop grazing and seek shade was in the interval between 500 and 700 W m(-2).

Pivot method for global optimization: A study of structures and phase changes in water clusters

NASA Astrophysics Data System (ADS)

Nigra, Pablo Fernando

In this thesis, we have carried out a study of water clusters. The research work has been developed in two stages. In the first stage, we have investigated the properties of water clusters at zero temperature by means of global optimization. The clusters were modeled by using two well known pairwise potentials having distinct characteristics. One is the Matsuoka-Clementi-Yoshimine potential (MCY) that is an ab initio fitted function based on a rigid-molecule model, the other is the Sillinger-Rahman potential (SR) which is an empirical function based on a flexible-molecule model. The algorithm used for the global optimization of the clusters was the pivot method, which was developed in our group. The results have shown that, under certain conditions, the pivot method may yield optimized structures which are related to one another in such a way that they seem to form structural families. The structures in a family can be thought of as formed from the aggregation of single units. The particular types of structures we have found are quasi-one dimensional tubes built from stacking cyclic units such as tetramers, pentamers, and hexamers. The binding energies of these tubes form sequences that span smooth curves with clear asymptotic behavior; therefore, we have also studied the sequences applying the Bulirsch-Stoer (BST) algorithm to accelerate convergence. In the second stage of the research work, we have studied the thermodynamic properties of a typical water cluster at finite temperatures. The selected cluster was the water octamer which exhibits a definite solid-liquid phase change. The water octamer also has several low lying energy cubic structures with large energetic barriers that cause ergodicity breaking in regular Monte Carlo simulations. For that reason we have simulated the octamer using paralell tempering Monte Carlo combined with the multihistogram method. This has permited us to calculate the heat capacity from very low temperatures up to T = 230 K. We have found the melting temperature to be 178.5 K. In addition, we have been able to estimate at 12 K the onset temperature of a solid-solid phase change between the two lowest energy lying isomers.

Dipole response of the odd-proton nucleus 205Tl up to the neutron-separation energy

NASA Astrophysics Data System (ADS)

Benouaret, N.; Beller, J.; Pai, H.; Pietralla, N.; Ponomarev, V. Yu; Romig, C.; Schnorrenberger, L.; Zweidinger, M.; Scheck, M.; Isaak, J.; Savran, D.; Sonnabend, K.; Raut, R.; Rusev, G.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Kelley, J. H.

2016-11-01

The low-lying electromagnetic dipole strength of the odd-proton nuclide 205Tl has been investigated up to the neutron separation energy exploiting the method of nuclear resonance fluorescence. In total, 61 levels of 205Tl have been identified. The measured strength distribution of 205Tl is discussed and compared to those of even-even and even-odd mass nuclei in the same mass region as well as to calculations that have been performed within the quasi-particle phonon model.

The Electronic Spectra of CaN2(+) and Ca(N2)2(+)

NASA Technical Reports Server (NTRS)

Rodriguez-Santiago, Luis; Bauschlicher, Charles W., Jr.; Arnold, James (Technical Monitor)

1998-01-01

The ground and low-lying electronic states of CaN2(+) are studied at several levels of theory. The results for the X(sup 2)Sigma(+) state and the excited (2)(sup 2)Pi state, arising from occupying the Ca 4p orbital, are in good agreement with experiment. The analogous states of Ca(N2)2(+) are studied using the same theoretical approaches, and predictions are made as to the changes caused by the addition of the second N2 ligand.

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

Otsuka, M.

Population inversion, which occurs in a recombining plasma when a stationary He plasma is brought into contact with a neutral gas, is examined. With hydrogen as a contact gas, noticeable inversion between low-lying levels of H as been found. The overpopulation density is of the order of 10/sup 8/ cm/sup -3/, which is much higher then that (approx. =10/sup 5/ cm/sup -3/) obtained previously with He as a contact gas. Relations between these experimental results and the conditions for population inversion are discussed with the CR model.

Validity of the classical monte carlo method to model the magnetic properties of a large transition-metal cluster: Mn19.

PubMed

Lima, Nicola; Caneschi, Andrea; Gatteschi, Dante; Kritikos, Mikael; Westin, L Gunnar

2006-03-20

The susceptibility of the large transition-metal cluster [Mn19O12(MOE)14(MOEH)10].MOEH (MOE = OC2H2O-CH3) has been fitted through classical Monte Carlo simulation, and an estimation of the exchange coupling constants has been done. With these results, it has been possible to perform a full-matrix diagonalization of the cluster core, which was used to provide information on the nature of the low-lying levels.

Ionospheric Profiles from Ultraviolet Remote Sensing

DTIC Science & Technology

1998-01-01

remote sensing of the ionosphere from orbiting space platforms. Remote sensing of the nighttime ionosphere is a relatively straightforward process due to the absence of the complications brought about by daytime solar radiation. Further, during the nighttime hours, the O(+)-H(+) transition level in both the mid- and low-latitude ionospheres lies around 750 km, which is within the range of accuracy of the path matrix inversion. The intensity of the O(+)-e(-) recombination radiation as observed from orbiting space platforms can now be used to

Coastal wetlands and global change: overview

USGS Publications Warehouse

Guntenspergen, G.R.; Vairin, B.; Burkett, V.R.

1997-01-01

The potential impacts of climate change are of great practical concern to those interested in coastal wetland resources. Among the areas of greatest risk in the United States are low-lying coastal habitats with easily eroded substrates which occur along the northern Gulf of Mexico and southeast Atlantic coasts. The Intergovernmental Panel on Climate Change (IPCC) and the World Meteorological Organization (WMO) have identified coastal wetlands as ecosystems most vulnerable to direct, large-scale impacts of climate change, primarily because of their sensitivity to increases in sea-level rise.

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.

Towards a global model of spin-orbit coupling in the halocarbenes

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

Nyambo, Silver; Karshenas, Cyrus; Reid, Scott A., E-mail: scott.reid@marquette.edu, E-mail: dawesr@mst.edu

We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written inmore » terms of a purely electronic spin-orbit matrix element which is independent of nuclear coordinates, and an integral representing the overlap of the singlet and triplet vibrational wavefunctions. In this way, the structures, harmonic frequencies, and normal mode displacements from ab initio calculations were used to calculate the vibrational overlaps of the singlet and triplet state levels, including the full effects of Duschinsky mixing. These calculations have allowed many new assignments to be made, particularly for CHI, and provided spin-orbit coupling parameters and values for the singlet-triplet gaps. In a second approach, we have computed and fit full geometry dependent spin-orbit coupling surfaces and used them to compute matrix elements without the product form approximation. Those matrix elements were used in similar fits varying the anharmonic constants and singlet-triplet gap to reproduce the experimental levels. The derived spin-orbit parameters for carbenes CHX (X = Cl, Br, and I) show an excellent linear correlation with the atomic spin-orbit constant of the corresponding halogen, indicating that the spin-orbit coupling in the carbenes is consistently around 14% of the atomic value.« less

Low-stress photosensitive polyimide suspended membrane for improved thermal isolation performance

NASA Astrophysics Data System (ADS)

Fan, J.; Xing, R. Y.; Wu, W. J.; Liu, H. F.; Liu, J. Q.; Tu, L. C.

2017-11-01

In this paper, we introduce a method of isolating thermal conduction from silicon substrate for accommodating thermal-sensitive micro-devices. This method lies in fabrication of a low-stress photosensitive polyimide (PSPI) suspension structure which has lower thermal conductivity than silicon. First, a PSPI layer was patterned on a silicon wafer and hard baked. Then, a cavity was etched from the backside of the silicon substrate to form a membrane or a bridge-shape PSPI structure. After releasing, a slight deformation of about 20 nm was observed in the suspended structures, suggesting ultralow residual stress which is essential for accommodating micro-devices. In order to investigate the thermal isolation performance of the suspended PSPI structures, micro Pirani vacuum gauges, which are thermal-sensitive, had been fabricated on the PSPI structures. The measurement results illustrated that the Pirani gauges worked as expected in the range from 1- 470 Pa. Moreover, the results of the Pirani gauges based on the membrane and bridge structures were comparable, indicating that the commonly used bridge-shape structure for further reducing thermal conduction was unnecessary. Due to the excellent thermal isolation performance of PSPI, the suspended PSPI membrane is promising to be an outstanding candidate for thermal isolation applications.

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

Decay pattern of the Pygmy Dipole Resonance in 140Ce

NASA Astrophysics Data System (ADS)

Isaak, J.; Löher, B.; Savran, D.; Aumann, T.; Beller, J.; Cooper, N.; Derya, V.; Duchêne, M.; Endres, J.; Fiori, E.; Kelley, J. H.; Knörzer, M.; Pietralla, N.; Ponomarev, V. Yu.; Romig, C.; Scheck, M.; Scheit, H.; Silva, J.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Werner, V.; Zilges, A.; Zweidinger, M.

2015-05-01

The decay behavior of low-lying dipole states in 140Ce was investigated exploiting the γ3-setup at the HIγS facility using quasi-monochromatic photon beams. Branching ratios of individual excited states as well as average branching ratios to low-lying states have been extracted using γ - γ coincidence measurements. The comparison of the average branching ratios to QPM calculations shows a remarkable agreement between experiment and theory in the energy range from 5.0 to 8.5 MeV.

A potential-energy surface study of the 2A1 and low-lying dissociative states of the methoxy radical

NASA Technical Reports Server (NTRS)

Jackels, C. F.

1985-01-01

Accurate, ab initio quantum chemical techniques are applied in the present study of low lying bound and dissociative states of the methoxy radical at C3nu conformations, using a double zeta quality basis set that is augmented with polarization and diffuse functions. Excitation energy estimates are obtained for vertical excitation, vertical deexcitation, and system origin. The rate of methoxy photolysis is estimated to be too small to warrant its inclusion in atmospheric models.

Low-temperature crystal and magnetic structure of α – RuCl 3

DOE PAGES

Cao, Huibo B.; Yan, Jiaqiang; Bridges, Craig A.; ...

2016-04-19

Here, single crystals of the Kitaev spin-liquid candidate α – RuCl 3 have been studied to determine the low-temperature bulk properties, the structure, and the magnetic ground state. Refinements of x-ray diffraction data show that the low-temperature crystal structure is described by space group C2/m with a nearly perfect honeycomb lattice exhibiting less than 0.2% in-plane distortion. The as-grown single crystals exhibit only one sharp magnetic transition at T N = 7 K. The magnetic order below this temperature exhibits a propagation vector of k=(0,1,1/3), which coincides with a three-layer stacking of the C2/m unit cells. Magnetic transitions at highermore » temperatures up to 14 K can be introduced by deformations of the crystal that result in regions in the crystal with a two-layer stacking sequence. The best-fit symmetry-allowed magnetic structure of the as-grown crystals shows that the spins lie in the ac plane, with a zigzag configuration in each honeycomb layer. The three-layer repeat out-of-plane structure can be refined as a 120° spiral order or a collinear structure with a spin direction of 35° away from the a axis. The collinear spin configuration yields a slightly better fit and also is physically preferred. The average ordered moment in either structure is less than 0.45(5) μB per Ru 3+ ion.« less

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.

Bridged HPSi and Linear HSiP as Probes of the SiP Radical in Astrophysical/Interstellar Media

NASA Astrophysics Data System (ADS)

Fortenberry, Ryan C.; Francisco, Joseph S.

2017-07-01

The SiP radical has a \\tilde{X}{}2{{\\Pi }} ground state and a low-lying A{}2{{{Σ }}}+ state with a transition wavelength of greater than 20 μm. However, this transition has a near-zero oscillator strength making it all but unobservable. Addition of a hydrogen atom to the system creates the strangely bent HPSi molecule and also the linear HSiP isomer, lying 0.50 eV above the bent. The electron-deficient P-Si π cloud in \\tilde{X}{}2{{\\Pi }} SiP is stabilized by the addition of the hydrogen atom, making this isomer the preferred form of HPSi. The HSiP linear isomer can be formed from A{}2{{{Σ }}}+ SiP. As a result, the [HPSi]/[HSiP] ratio could serve as tracer of the otherwise unobservable but low-lying A{}2{{{Σ }}}+≤ftarrow \\tilde{X}{}2{{\\Pi }} electronic transition of SiP. The high-level quantum chemical computations employed here imply that the rotational lines of HPSi and HSiP will overlap extensively, but the vibrational frequencies, especially the hydride stretch, are significantly separated. The hydride stretches are in the 5 μm range, making them excellent candidates for mid-IR observations with the Stratsopheric Observatory for Infrared Astronomy or with the James Webb Space Telescope. Furthermore, the rotational constants and vibrational frequencies of \\tilde{X}{}2{{\\Pi }} SiP, A{}2{{{Σ }}}+ SiP, and \\tilde{X}{}1{{{Σ }}}+ SiP- are also provided in addition to the relative energies of all five species.

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.

Improving sensitivity and source attribution of homemade explosives with low-frequency/THz-Raman spectroscopy

NASA Astrophysics Data System (ADS)

Carriere, James T. A.; Havermeyer, Frank; Heyler, Randy A.

2014-05-01

Rapid identification and source attribution of homemade explosives (HMEs) is vital to national defense and homeland security efforts. Since HMEs can be prepared in a variety of methods with different component ingredients, telltale traces can be left behind in the final structural form of the material. These differences manifest as polymorphs, isomers, conformers or even contaminants that can all impact the low energy vibrational modes of the molecule. Conventional Raman spectroscopy systems confine their measurements to the "chemical fingerprint" region and are unable to detect low frequency Raman signals (<200cm-1) where these low energy modes are found. This gap in sensitivity limits the conclusions that can be drawn from a single Raman measurement and creates the need for multiple measurement techniques to confirm any results. We present results from a new rugged, portable approach that is capable of extending the range of Raman to include these low frequency signals down to ~5cm-1, plus complementary anti-Stokes spectra, with measurement times on the order of seconds. We demonstrate the diversity of signals that lie in this region that directly correlate to the molecular structure of the material, resulting in a new Raman "structural fingerprint" region. By correlating the measured results with known samples from a spectral library, rapid identification of the specific method of manufacture can be made.

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.

Protons, osmolytes, and fitness of internal milieu for protein function.

PubMed

Somero, G N

1986-08-01

The composition of the intracellular milieu shows striking similarities among widely different species. Only certain values of intracellular pH, values that generally reflect alphastat regulation, and only narrow ranges of inorganic ion concentrations are found in the cytoplasm of the cells of most animals, plants, and microorganisms. In water-stressed organisms only a few types of low-molecular-weight organic molecules (osmolytes) are accumulated. These highly conserved characteristics of the intracellular fluids reflect the need to maintain critical features of macromolecules within narrow ranges optimal for life. For proteins these features include maintaining adequate rates of catalysis, a high level of regulatory responsiveness, and a precise balance between stability and lability of structure (tertiary conformation, subunit assembly, and multiprotein complexes). The optimal values for these functional and structural features of proteins often lie near the midrange of possible values for these properties, and only under specific conditions of intracellular pH, ionic strength, and osmolyte composition are these optimal midrange values conserved. In dormant cells the departure of solution conditions from values that are optimal for protein function and structure may be instrumental in reducing or shutting down metabolic functions. Seen from a broad evolutionary perspective, the evolution of the intracellular milieu is an important complement to macromolecular evolution. In certain instances appropriate modifications of the internal milieu may reduce the need for adaptive amino acid replacements in proteins.

The electronic structure of vanadium monochloride cation (VCl{sup +}): Tackling the complexities of transition metal species

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

DeYonker, Nathan J., E-mail: ndyonker@memphis.edu; Halfen, DeWayne T.; Ziurys, Lucy M.

Six electronic states (X {sup 4}Σ{sup −}, A {sup 4}Π, B {sup 4}Δ, {sup 2}Φ, {sup 2}Δ, {sup 2}Σ{sup +}) of the vanadium monochloride cation (VCl{sup +}) are described using large basis set coupled cluster theory. For the two lowest quartet states (X {sup 4}Σ{sup −} and A {sup 4}Π), 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 (T{sub 0}) and spectroscopic constants (r{sub e}, r{sub 0}, B{sub e}, B{sub 0}, D{sup ¯}{sub e}, H{sub e},more » ω{sub e}, v{sub 0}, α{sub e}, ω{sub e}x{sub e}) 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 {sup 4}Σ{sup −}), 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 ({sup 2}Γ) has a T{sub e} of ∼11 200 cm{sup −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.« less

Gulf of Mexico and Atlantic coast sea level change

NASA Astrophysics Data System (ADS)

Douglas, Bruce C.

Twentieth-century relative sea level rise shows considerable variability along the U.S. East and Gulf coasts. Local rates of rise lie in the range of about 1.5 to more than 4 mm per year for records from Key West, Florida, to New York City. Rates of sea level rise in the Gulf of Mexico can be much higher. In Texas and Louisiana, long-term water levels are rising up to about 10 mm per year. This is having disastrous consequences in the form of wetlands loss in the region, estimated to be as much as 65 km2 per year in the Mississippi Delta area of Louisiana alone. Beach erosion is also significant along both the Gulf and Atlantic coasts, resulting in ever-increasing exposure of fixed structures to the damaging impacts of storms. The especially high rates of sea level rise in Louisiana and Texas are a result of their particular geomorphology, and anthropogenic alterations in the form of sediment diversion and withdrawal of underground fluids. The average long-term local rate of sea level rise on the rest of the U.S. East and Gulf coasts when corrected for glacial isostatic adjustment is about 2 mm per year, in conformity with 20th century global sea level rise. U.S. East and Gulf coast tide gauge records also have regionally coherent low frequency (decadal and longer) variations that need to be understood because of their impact on wetlands loss, and to enable accurate determination of long-term trends of sea level rise.

Shape coexistence and collective low-spin states in Sn,114112 studied with the (p ,p'γ ) Doppler-shift attenuation coincidence technique

NASA Astrophysics Data System (ADS)

Spieker, M.; Petkov, P.; Litvinova, E.; Müller-Gatermann, C.; Pickstone, S. G.; Prill, S.; Scholz, P.; Zilges, A.

2018-05-01

Background: The semimagic Sn (Z =50 ) isotopes have been subject to many nuclear-structure studies. Signatures of shape coexistence have been observed and attributed to two-proton-two-hole (2p-2h) excitations across the Z =50 shell closure. In addition, many low-lying nuclear-structure features have been observed which have effectively constrained theoretical models in the past. One example are so-called quadrupole-octupole coupled states (QOC) caused by the coupling of the collective quadrupole and octupole phonons. Purpose: Proton-scattering experiments followed by the coincident spectroscopy of γ rays have been performed at the Institute for Nuclear Physics of the University of Cologne to excite low-spin states in 112Sn and 114Sn to determine their lifetimes and extract reduced transition strengths B (Π L ) . Methods: The combined spectroscopy setup SONIC@HORUS has been used to detect the scattered protons and the emitted γ rays of excited states in coincidence. The novel (p ,p'γ ) Doppler-shift attenuation (DSA) coincidence technique was employed to measure sub-ps nuclear level lifetimes. Results: Seventy-four (74) level lifetimes τ of states with J =0 -6 were determined. In addition, branching ratios were deduced which allowed the investigation of the intruder configuration in both nuclei. Here, s d IBM-2 mixing calculations were added which support the coexistence of the two configurations. Furthermore, members of the expected QOC quintuplet are proposed in 114Sn for the first time. The 1- candidate in 114Sn fits perfectly into the systematics observed for the other stable Sn isotopes. Conclusions: The E 2 transition strengths observed for the low-spin members of the so-called intruder band support the existence of shape coexistence in Sn,114112. The collectivity in this configuration is comparable to the one observed in the Pd nuclei, i.e., the 0p-4h nuclei. Strong mixing between the 0+ states of the normal and intruder configuration might be observed in 114Sn. The general existence of QOC states in Sn,114112 is supported by the observation of QOC candidates with J ≠1 .

The spatial distribution of dwarf galaxies in the CfA slice of the universe

NASA Technical Reports Server (NTRS)

Thuan, Trinh X.; Gott, J. Richard, III; Schneider, Stephen E.

1987-01-01

A complete (with the the exception of one) redshift sample of 58 galaxies in the Nilson catalog classified as dwarf, irregular, or Magellanic irregular is used to investigate the large-scale clustering properties of these low-surface brightness galaxies in the CfA slice of the universe (alpha in the range of 8-17 h, delta in the range of 26.5-32.5 deg). It is found that the low-surface brightness dwarf galaxies also lie on the structures delineated by the high-surface brightness normal galaxies and that they do not fill in the voids. This is inconsistent with a class of biased galaxy formation theories which predict that dwarf galaxies should be present everywhere, including the voids.

Structural and tectonic setting of the Charleston, South Carolina, region: Evidence from the Tertiary stratigraphic record

USGS Publications Warehouse

Weems, R.E.; Lewis, W.C.

2002-01-01

Eleven upper Eocene through Pliocene stratigraphic units occur in the subsurface of the region surrounding Charleston, South Carolina. These units contain a wealth of information concerning the long-term tectonic and structural setting of that area. These stratigraphic units have a mosaic pattern of distribution, rather than a simple layered pattern, because deposition, erosion, and tectonic warping have interacted in a complex manner through time. By generating separate structure-contour maps for the base of each stratigraphic unit, an estimate of the original basal surface of each unit can be reconstructed over wide areas. Changes in sea level over geologic time generate patterns of deposition and erosion that are geographically unique for the time of each transgression. Such patterns fail to persist when compared sequentially over time. In some areas, however, there has been persistent, repetitive net downward of upward movement over the past 34 m.y. These repetitive patterns of persistent motion are most readily attributable to tectonism. The spatial pattern of these high and low areas is complex, but it appears to correlate well with known tectonic features of the region. This correlation suggests that the tectonic setting of the Charleston region is controlled by scissors-like compression on a crustal block located between the north-trending Adams Run fault and the northwest-trending Charleston fault. Tectonism is localized in the Charleston region because it lies within a discrete hinge zone that accommodates structural movement between the Cape Fear arch and the Southeast Georgia embayment.

Gulf of Mexico region - Highlighting low-lying areas derived from USGS Digital Elevation Data

USGS Publications Warehouse

Kosovich, John J.

2008-01-01

In support of U.S. Geological Survey (USGS) disaster preparedness efforts, this map depicts a color shaded relief representation of the area surrounding the Gulf of Mexico. The first 30 feet of relief above mean sea level are displayed as brightly colored 5-foot elevation bands, which highlight low-elevation areas at a coarse spatial resolution. Standard USGS National Elevation Dataset (NED) 1 arc-second (nominally 30-meter) digital elevation model (DEM) data are the basis for the map, which is designed to be used at a broad scale and for informational purposes only. The NED data were derived from the original 1:24,000-scale USGS topographic map bare-earth contours, which were converted into gridded quadrangle-based DEM tiles at a constant post spacing (grid cell size) of either 30 meters (data before the mid-1990s data) or 10 meters (mid-1990s and later data). These individual-quadrangle DEMs were then converted to spherical coordinates (latitude/longitude decimal degrees) and edge-matched to ensure seamlessness. Approximately one-half of the area shown on this map has DEM source data at a 30-meter resolution, with the remaining half consisting of 10-meter contour-derived DEM data or higher-resolution LIDAR data. Areas below sea level typically are surrounded by levees or some other type of flood-control structures. State and county boundary, hydrography, city, and road layers were modified from USGS National Atlas data downloaded in 2003. The NED data were downloaded in 2005.

Segmentation and Accretionary Processes Near the Andrew Bain Mega-Transform Fault: The Southwest Indian Ridge 25°-35°E

NASA Astrophysics Data System (ADS)

Takeuchi, C. S.; Sclater, J. G.; Grindlay, N. R.; Madsen, J. A.; Rommevaux-Jestin, C.

2008-12-01

The ultra-slow spreading Southwest Indian Ridge (SWIR) separates the Antarctic and African plates. We present results from two surveys covering the SWIR between 26° and 27°30'E and between 32° and 35°E, lying on either side of the long-offset Andrew Bain transform fault. The objectives of the surveys were to characterize the segmentation of an ultra-slow spreading ridge on either side of a long-offset transform fault and to examine the structure of the individual segments. Four transform faults, the Du Toit, Andrew Bain, Marion, and Prince Edward, and one non-transform discontinuity bound four accretionary segments in the survey areas. Two segments lie northeast of the Andrew Bain (32°-35°E). Large central axial volcanoes, deep, broad mantle Bouguer anomaly (MBA) lows, and high magnetization intensities centered on the spreading axis result from high magmatic activity. Increased magmatism on the ridge axis is likely caused by high mantle temperatures produced by the close proximity of the Marion Plume, which abuts the northern end of the Andrew Bain. Two segments lie southwest of the Andrew Bain (26°-27°30'E). Discrepancies in the locations of the axial rift valley, central magnetization high, and an irregularly-shaped MBA low suggest complex accretionary processes at the western segment (~26°-27° E). The eastern segment (~27°-27°30'E), which abuts the southwest end of the Andrew Bain, shows a deep axial valley, MBA values which increase to the east, and nearly nonexistent magnetization intensity. These features are probably the result of amagmatic accretion caused by the transform edge effect of the Andrew Bain. A transition in the character of topography at 26°45'E suggests that the current segment configuration may not be temporally stable. High-relief (~1 km) ridge-trough structures south of the spreading axis may be the result of an episodic interplay between accretion, both magmatic and amagmatic, and tectonic extension.

Structure of Ni 78 from First-Principles Computations

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

Hagen, Gaute; Univ. of Tennessee, Knoxville, TN; Jansen, Gustav R.

Doubly magic nuclei have a simple structure and are the cornerstones for entire regions of the nuclear chart. Theoretical insights into the supposedly doubly magic 78Ni and its neighbors are challenging because of the extreme neutron-to-proton ratio and the proximity of the continuum. In this study, we predict the J π = 2more » $$+\\atop{1}$$ state in 78Ni from a correlation with the J π = 2$$+\\atop{1}$$ state in 48Ca using chiral nucleon-nucleon and three-nucleon interactions. Our results confirm that 78Ni is doubly magic, and the predicted low-lying states of 79,80Ni open the way for shell-model studies of many more rare isotopes.« less

Structure of Ni 78 from First-Principles Computations

DOE PAGES

Hagen, Gaute; Univ. of Tennessee, Knoxville, TN; Jansen, Gustav R.; ...

2016-10-17

Doubly magic nuclei have a simple structure and are the cornerstones for entire regions of the nuclear chart. Theoretical insights into the supposedly doubly magic 78Ni and its neighbors are challenging because of the extreme neutron-to-proton ratio and the proximity of the continuum. In this study, we predict the J π = 2more » $$+\\atop{1}$$ state in 78Ni from a correlation with the J π = 2$$+\\atop{1}$$ state in 48Ca using chiral nucleon-nucleon and three-nucleon interactions. Our results confirm that 78Ni is doubly magic, and the predicted low-lying states of 79,80Ni open the way for shell-model studies of many more rare isotopes.« less

Low-lying dipole strength of the open-shell nucleus 94Mo

NASA Astrophysics Data System (ADS)

Romig, C.; Beller, J.; Glorius, J.; Isaak, J.; Kelley, J. H.; Kwan, E.; Pietralla, N.; Ponomarev, V. Yu.; Sauerwein, A.; Savran, D.; Scheck, M.; Schnorrenberger, L.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Zilges, A.; Zweidinger, M.

2013-10-01

The low-lying dipole strength of the open-shell nucleus 94Mo was studied via the nuclear resonance fluorescence technique up to 8.7 MeV excitation energy at the bremsstrahlung facility at the Superconducting Darmstadt Electron Linear Accelerator (S-DALINAC), and with Compton backscattered photons at the High Intensity γ-ray Source (HIγS) facility. In total, 83 excited states were identified. Exploiting polarized quasi-monoenergetic photons at HIγS, parity quantum numbers were assigned to 41 states excited by dipole transitions. The electric dipole-strength distribution was determined up to 8.7 MeV and compared to microscopic calculations within the quasiparticle phonon model. Calculations and experimental data are in good agreement for the fragmentation, as well as for the integrated strength. The average decay pattern of the excited states was investigated exploiting the HIγS measurements at five energy settings. Mean branching ratios to the ground state and first excited 21+ state were extracted from the measurements with quasi-monoenergetic photons and compared to γ-cascade simulations within the statistical model. The experimentally deduced mean branching ratios exhibit a resonance-like maximum at 6.4 MeV which cannot be reproduced within the statistical model. This indicates a nonstatistical structure in the energy range between 5.5 and 7.5 MeV.

Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas

NASA Astrophysics Data System (ADS)

Chaudhuri, Supriya K.; Mukherjee, Prasanta K.; Chaudhuri, Rajat K.; Chattopadhyay, Sudip

2018-04-01

The equation of motion coupled cluster methodology within relativistic framework has been applied to analyze the electron correlation effects on the low lying dipole allowed excited states of Ne and Al3+ under classical and quantum plasma environments. The effect of confinement due to classical plasma has been incorporated through screened Coulomb potential, while that of quantum plasma has been treated by exponential cosine screened Coulomb potential. The confined structural properties investigated are the depression of ionization potential, low lying excitation energies (dipole allowed), oscillator strengths, transition probabilities, and frequency dependent polarizabilities under systematic variation of the plasma-atom coupling strength determined through the screening parameter. Specific atomic systems are chosen for their astrophysical importance and availability of experimental data related to laboratory plasma with special reference to Al3+ ion. Here, we consider 1 s22 s22 p6(1S0)→1 s22 s22 p5 n s /n d (1P1) (n =3 ,4 ) dipole allowed transitions of Ne and Al3+. Results for the free (isolated) atomic systems agree well with those available in the literature. Spectroscopic properties under confinement show systematic and interesting pattern with respect to plasma screening parameter.

Structure formation in organic thin films observed in real time by energy dispersive near-edge x-ray absorption fine-structure spectroscopy

NASA Astrophysics Data System (ADS)

Scholz, M.; Sauer, C.; Wiessner, M.; Nguyen, N.; Schöll, A.; Reinert, F.

2013-08-01

We study the structure formation of 1,4,5,8-naphthalene-tetracarboxylicacid-dianhydride (NTCDA) multilayer films on Ag(111) surfaces by energy dispersive near-edge x-ray absorption fine-structure spectroscopy (NEXAFS) and photoelectron spectroscopy. The time resolution of seconds of the method allows us to identify several sub-processes, which occur during the post-growth three-dimensional structural ordering, as well as their characteristic time scales. After deposition at low temperature the NTCDA molecules are preferentially flat lying and the films exhibit no long-range order. Upon annealing the molecules flip into an upright orientation followed by an aggregation in a transient phase which exists for several minutes. Finally, three-dimensional islands are established with bulk-crystalline structure involving substantial mass transport on the surface and morphological roughening. By applying the Kolmogorov-Johnson-Mehl-Avrami model the activation energies of the temperature-driven sub-processes can be derived from the time evolution of the NEXAFS signal.

Rural water supply in Kerala, India: How to emerge from a low-level equilibrium trap

NASA Astrophysics Data System (ADS)

Singh, Bhanwar; Ramasubban, Radhika; Bhatia, Ramesh; Briscoe, John; Griffin, Charles C.; Kim, Chongchun

1993-07-01

Large quantities of financial and human resources have been devoted to improving rural water supplies in developing countries over the past two decades. Many projects have been successful, but many have failed to meet the needs of the intended beneficiaries. Evidence of the failures lies in the unused and poorly maintained systems that are scattered throughout rural areas of the developing world. The current situation in water supply in rural Kerala, India, reflects this general observation and can be described as a "low-level equilibrium trap." Water systems provide a low level of service with few yard taps. The monthly tariff for water from household connections is low. With few connectors and low tariffs, little revenue is generated beyond subsidies provided by the government. The water authority can afford to maintain the system up to a level at which the reliability of service is low, forcing consumers to supplement piped water from traditional sources. This study analyzes contingent valuation data collected in three areas of Kerala to evaluate the possibility of lifting the system out of this trap. The analysis shows that by making a few critical policy changes, encouraging private connections and financing those connections through higher tariffs, the system can ratchet up to a "high-level equilibrium" in which there are many connectors, monthly revenues are greatly increased, and consumer welfare improves. Such a system would be better financed, making it possible to improve the reliability and quality of the service.

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 structures and spectroscopic properties of CdI: MRCI+Q study including spin-orbit coupling

NASA Astrophysics Data System (ADS)

Li, Rui; Zhang, Hua; Liu, Xiaohua; Zhao, Shutao; Liu, Yadong; Yan, Bing

2018-01-01

Cadmium iodide (CdI), which is a candidate for laser material in chemical lasing, has attracted considerable scientific interest. While the complete picture for electronic structure of CdI is still unclear, particularly for the interactions of excited states. In this paper, high-level configuration interaction method is applied to compute the low-lying electronic states of the lowest two dissociation limits (Cd(1S) + I(2P) and Cd(3P) + I(2P)). To ensure the accuracy, the Davidson correction, core-valence electronic correlations and spin-orbit coupling effects are also taken into account. The potential energy curves of the 14 Λ-S states and 30 Ω states obtained from those Λ-S states are calculated. On the basis of the computed potential energy curves, the spectroscopic constants of bound and quasibound states are determined, most of which have not been reported in existing studies. The calculated values of spin-orbit coupling matrix elements demonstrate that the B2Σ+1/2 state imposes a strong perturbation on ν‧> 0 vibrational level of C2Π1/2, which can explain the weak spectral intensity of C2Π1/2-X2Σ+1/2 observed in previous experiment. The transition dipole moments as well as the lifetimes are evaluated to predict the transition properties of B2Σ+1/2, C2Π1/2 and 22Π3/2 states.

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.

The economic impact of sea-level rise on nonmarket lands in Singapore.

PubMed

Ng, Wei-Shiuen; Mendelsohn, Robert

2006-09-01

Sea-level rise, as a result of climate change, will likely inflict considerable economic consequences on coastal regions, particularly low-lying island states like Singapore. Although the literature has addressed the vulnerability of developed coastal lands, this is the first economic study to address nonmarket lands, such as beaches, marshes and mangrove estuaries. This travel cost and contingent valuation study reveals that consumers in Singapore attach considerable value to beaches. The contingent valuation study also attached high values to marshes and mangroves but this result was not supported by the travel cost study. Although protecting nonmarket land uses from sea-level rise is expensive, the study shows that at least highly valued resources, such as Singapore's popular beaches, should be protected.

Einstein coefficients and oscillator strengths for low lying state of CO molecules

NASA Astrophysics Data System (ADS)

Swer, S.; Syiemiong, A.; Ram, M.; Jha, A. K.; Saxena, A.

2018-04-01

Einstein Coefficients and Oscillator Strengths for different state of CO molecule have been calculated using LEROY'S LEVEL program and MOLCAS ab initio code. Using the wave function derived from Morse potential and transition dipole moment obtained from ab initio calculation, The potential energy functions were computed for these states using the spectroscopic constants. The Morse potential of these states and electronic transition dipole moment of the transition calculated in a recent ab initio study have been used in LEVEL program to produce transition dipole matrix element for a large number of bands. Einstein Coefficients have also been used to compute the radiative lifetimes of several vibrational levels and the calculated values are compared with other theoretical results and experimental values.

Dispersed laser-induced fluorescence of molecular ions. Identification of new low-lying electronic states of TiCl + and TiF +

NASA Astrophysics Data System (ADS)

Focsa, C.; Pinchemel, B.

1999-09-01

The dispersed laser-induced fluorescence technique has been applied for the first time to metallic molecular ions. The TiCl + and TiF + ions were produced by a high-voltage discharge in helium with traces of TiCl 4 or TiF 4. A c.w. dye-laser and a grating plate spectrometer were used to record low-resolution spectra of these species in the visible. This leads to the observation of new low-lying electronic states of these ions: the C 3Π (˜1535 cm -1) state of TiCl +, the B 3Δ (˜2040 cm -1) and C 3Π (˜2200 cm -1) states of TiF +. The identification of these new states contributes to a better characterisation of the first 3000 cm -1 of the energy level diagrams of these molecules. The experimental position of the C 3Π state of TiCl + is in good agreement with theoretical predictions given by a Ligand Field Theory model [C. Focsa, M. Bencheikh, L.G.M. Pettersson, J. Phys. B: At. Mol. Opt. Phys. 31 (1998) 2857]. We have extended these calculations to the TiF + isovalent ion, taking advantage of the new experimental data. Both experimental and theoretical new results presented in this paper are expected to help future investigations on these species.

Mangroves Response to Climate Change: A Review of Recent Findings on Mangrove Extension and Distribution.

PubMed

Godoy, Mario D P; de Lacerda, Luiz D

2015-01-01

Mangroves function as a natural coastline protection for erosion and inundation, providing important environmental services. Due to their geographical distribution at the continent-ocean interface, the mangrove habitat may suffer heavy impacts from global climate change, maximized by local human activities occurring in a given coastal region. This review analyzed the literature published over the last 25 years, on the documented response of mangroves to environmental change caused by global climate change, taking into consideration 104 case studies and predictive modeling, worldwide. Most studies appeared after the year 2000, as a response to the 1997 IPCC report. Although many reports showed that the world's mangrove area is decreasing due to direct anthropogenic pressure, several others, however, showed that in a variety of habitats mangroves are expanding as a response to global climate change. Worldwide, pole ward migration is extending the latitudinal limits of mangroves due to warmer winters and decreasing the frequency of extreme low temperatures, whereas in low-lying coastal plains, mangroves are migrating landward due to sea level rise, as demonstrated for the NE Brazilian coast. Taking into consideration climate change alone, mangroves in most areas will display a positive response. In some areas however, such as low-lying oceanic islands, such as in the Pacific and the Caribbean, and constrained coastlines, such as the SE Brazilian coast, mangroves will most probably not survive.

Negative ion photoelectron spectroscopy of P 2N 3 –: Electron affinity and electronic structures of P 2N 3 ˙

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

Hou, Gao -Lei; Chen, Bo; Transue, Wesley J.

2016-04-19

The recent successful synthesis of P 2N 3 –, a planar all-inorganic aromatic molecule, represents a breakthrough in inorganic chemistry, because, like its isolobal counterparts C 5H 5– and cyclo-P 5 –, P 2N 3 – has potential to serve as a new ligand for transition metals and a building block in solid-state molecular architectures. In light of its importance, we report here a negative ion photoelectron spectroscopy (NIPES) and ab initio study of P 2N 3 –, to investigate the electronic structures of P 2N 3 – and its neutral P 2N 3• radical. The adiabatic detachment energy ofmore » P 2N 3 – (electron affinity of P 2N 3•) was determined to be 3.765 ± 0.010 eV, indicating high stability for the P 2N 3 – anion. Ab initio electronic structure calculations reveal five low-lying electronic states in the neutral P 2N 3• radical. Calculation of the Franck-Condon factors (FCFs) for each anion-to-neutral electronic transition and comparison of the resulting simulated NIPE spectrum with the vibrational structure in the observed spectrum allows the first four excited states of P 2N 3• to be determined to lie 6.2, 6.7, 11.5, and 22.8 kcal/mol -1 above the ground state of the radical, which is found to be a 6π-electron, 2A 1, σ state.« less

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.

The use of 133 Ba+ as a new candidate for trapped atomic ion qubits

NASA Astrophysics Data System (ADS)

Hucul, David; Christiansen, Justin; Campbell, Wesley; Hudson, Eric

2016-05-01

Trapped atomic ions are qubit standards in quantum information science because of their long coherence times and high fidelity entangling gates. Many different atomic ions have been used as qubits, each with strengths and weaknesses dictated by its atomic structure. We propose to use 133 Ba+ as an atomic qubit. 133 Ba+ is a nearly ideal, all-purpose candidate by combining many of the strengths of different workhorse atomic ions. 133 Ba+, like 171 Yb+, has a nuclear spin 1/2, allowing for a robust hyperfine qubit with simple state preparation and readout via differential fluorescence. The lack of a low-lying F-state, like in Ca+, simplifies high-fidelity qubit state detection that relies on shelving a qubit level to a meta-stable excited state. In addition, 133 Ba+ can be used for background-free qubit state detection where the wavelength of the qubit detection light differs from all excitation light by at least 50 THz. Unlike all other ions in use, the optical transitions of barium are in the visible spectrum, enabling the use of high power lasers, low-loss fibers, high quantum efficiency detectors, and other technologies developed for visible wavelengths of light to ease some requirements toward scaling a quantum system.

Low-lying 1/2- hidden strange pentaquark states in the constituent quark model

NASA Astrophysics Data System (ADS)

Li, Hui; Wu, Zong-Xiu; An, Chun-Sheng; Chen, Hong

2017-12-01

We investigate the spectrum of the low-lying 1/2- hidden strange pentaquark states, employing the constituent quark model, and looking at two ways within that model of mediating the hyperfine interaction between quarks - Goldstone boson exchange and one gluon exchange. Numerical results show that the lowest 1/2- hidden strange pentaquark state in the Goldstone boson exchange model lies at ˜1570 MeV, so this pentaquark configuration may form a notable component in S 11(1535) if the Goldstone boson exchange model is applied. This is consistent with the prediction that S 11(1535) couples very strongly to strangeness channels. Supported by National Natural Science Foundation of China (11675131, 11645002), Chongqing Natural Science Foundation (cstc2015jcyjA00032) and Fundamental Research Funds for the Central Universities (SWU115020)

The implications of megatrends in information and communication technology and transportation for changes in global physical activity.

PubMed

Pratt, Michael; Sarmiento, Olga L; Montes, Felipe; Ogilvie, David; Marcus, Bess H; Perez, Lilian G; Brownson, Ross C

2012-07-21

Physical inactivity accounts for more than 3 million deaths per year, most from non-communicable diseases in low-income and middle-income countries. We used reviews of physical activity interventions and a simulation model to examine how megatrends in information and communication technology and transportation directly and indirectly affect levels of physical activity across countries of low, middle, and high income. The model suggested that the direct and potentiating eff ects of information and communication technology, especially mobile phones, are nearly equal in magnitude to the mean eff ects of planned physical activity interventions. The greatest potential to increase population physical activity might thus be in creation of synergistic policies in sectors outside health including communication and transportation. However, there remains a glaring mismatch between where studies on physical activity interventions are undertaken and where the potential lies in low-income and middle-income countries for population-level effects that will truly affect global health.

The implications of megatrends in information and communication technology and transportation for changes in global physical activity

PubMed Central

Pratt, Michael; Sarmiento, Olga L; Montes, Felipe; Ogilvie, David; Marcus, Bess H; Perez, Lilian G; Brownson, Ross C

2016-01-01

Physical inactivity accounts for more than 3 million deaths per year, most from non-communicable diseases in low-income and middle-income countries. We used reviews of physical activity interventions and a simulation model to examine how megatrends in information and communication technology and transportation directly and indirectly affect levels of physical activity across countries of low, middle, and high income. The model suggested that the direct and potentiating effects of information and communication technology, especially mobile phones, are nearly equal in magnitude to the mean effects of planned physical activity interventions. The greatest potential to increase population physical activity might thus be in creation of synergistic policies in sectors outside health including communication and transportation. However, there remains a glaring mismatch between where studies on physical activity interventions are undertaken and where the potential lies in low-income and middle-income countries for population-level effects that will truly affect global health. PMID:22818940

Annealing kinetics of radiation defects in boron-implanted p-Hg1‑xCdxTe

NASA Astrophysics Data System (ADS)

Talipov, Niyaz; Voitsekhovskii, Alexander

2018-06-01

The results of studying the annealing kinetics of the radiation-induced donor-type defects in boron implanted p-type Hg1‑x Cd x Te (MCT) are presented. The annealing kinetics of the radiation donor centers depend significantly on the dose of B+ ions, that is on the initial level of structural defects generated in the MCT lattice by ion bombardment. The activation energy E A of annealing of donor defects generated by implantation of B+ ions increases with increasing dose and temperature of the post-implantation heat treatment under the SiO2 cap. The smaller the dose and the higher the initial hole concentration in p-MCT, the lower the temperature of a complete annealing of donor centers, which lies in the range 220–275 °C. In the initial stages of the post-implantation heat treatment, primary donor defects are annealed, and then, more stable secondary impurity-defect complexes are annealed. It was established for the first time that the activation energy of the donor defects annealing in bulk crystals and heteroepitaxial structures of MCT has two clearly pronounced regions: at low temperatures 90–130 °C, E A = 0.06 eV and at Т = 150–250 °C, E A = 0.71–0.86 eV.

Data on inelastic processes in low-energy potassium-hydrogen and rubidium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Yakovleva, S. A.; Barklem, P. S.; Belyaev, A. K.

2018-01-01

Two sets of rate coefficients for low-energy inelastic potassium-hydrogen and rubidium-hydrogen collisions were computed for each collisional system based on two model electronic structure calculations, performed by the quantum asymptotic semi-empirical and the quantum asymptotic linear combinations of atomic orbitals (LCAO) approaches, followed by quantum multichannel calculations for the non-adiabatic nuclear dynamics. The rate coefficients for the charge transfer (mutual neutralization, ion-pair formation), excitation and de-excitation processes are calculated for all transitions between the five lowest lying covalent states and the ionic states for each collisional system for the temperature range 1000-10 000 K. The processes involving higher lying states have extremely low rate coefficients and, hence, are neglected. The two model calculations both single out the same partial processes as having large and moderate rate coefficients. The largest rate coefficients correspond to the mutual neutralization processes into the K(5s 2S) and Rb(4d 2D) final states and at temperature 6000 K have values exceeding 3 × 10-8 cm3 s-1 and 4 × 10-8 cm3 s-1, respectively. It is shown that both the semi-empirical and the LCAO approaches perform equally well on average and that both sets of atomic data have roughly the same accuracy. The processes with large and moderate rate coefficients are likely to be important for non-LTE modelling in atmospheres of F, G and K-stars, especially metal-poor stars.

Face specificity and the role of metal adatoms in molecular reorientation at surfaces

NASA Astrophysics Data System (ADS)

Perry, C. C.; Haq, S.; Frederick, B. G.; Richardson, N. V.

1998-07-01

Using reflection absorption infrared spectroscopy (RAIRS), the coverage-dependent reorientation of the benzoate species on the (110) and (111) faces of copper is compared and contrasted. Whereas on Cu(110) benzoate reorients from a flat-lying to an upright orientation with increasing coverage, on Cu(111), at all coverages, benzoate is aligned normal to the surface. The formation of periodic, flat-lying copper-benzoate structures has been attributed to the availability of metal adatoms, which differs dramatically between the (111) and (110) faces. We discuss the face specificity of molecular orientation by comparing calculated formation energies of adatom vacancies from ledges and kink sites on (100), (110) and (111) faces. Further support for this model is given by the evaporation of sodium, either by pre- or post-dosing, onto low-coverage benzoate/Cu(111), which induces benzoate to convert from a perpendicular to a parallel orientation. Likewise, coevaporation of Cu while dosing benzoic acid onto the Cu(111) surface also results in a majority of flat-lying benzoate species. Finally, for adsorption on the p(2×1)O/Cu(110) reconstruction, benzoate occurs only as the upright species, which is consistent with reducing the copper mobility and availability on the (110) face. We therefore suggest the possible role of metal adatoms as a new mechanism in controlling adsorbate orientation and therefore face specificity in surface reactions.

Multilayered BN Coatings Processed by a Continuous LPCVD Treatment onto Hi-Nicalon Fibers

NASA Astrophysics Data System (ADS)

Jacques, S.; Vincent, H.; Vincent, C.; Lopez-Marure, A.; Bouix, J.

2001-12-01

Boron nitride coatings were deposited onto SiC fibers by means of continuous low-pressure chemical vapor deposition (LPCVD) treatment from BF3/NH3 mixtures. This process lies in unrolling the fiber in the reactor axis. The relationships between the processing parameters and the structure of the BN deposits are presented. Thanks to a temperature gradient present in the reactor, multilayered BN films can be performed by stacking successive isotropic and anisotropic sublayers. Tensile tests show that when the temperature profile is well adapted, the SiC fibers are not damaged by the LPCVD treatment.

Tests of conformal field theory at the Yang-Lee singularity

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

Wydro, Tomasz; McCabe, John F.

2009-12-14

This paper studies the Yang-Lee edge singularity of 2-dimensional (2D) Ising model based on a quantum spin chain and transfer matrix measurements on the cylinder. Based on finite-size scaling, the low-lying excitation spectrum is found at the Yang-Lee edge singularity. Based on transfer matrix techniques, the single structure constant is evaluated at the Yang-Lee edge singularity. The results of both types of measurements are found to be fully consistent with the predictions for the (A{sub 4}, A{sub 1}) minimal conformal field theory, which was previously identified with this critical point.

Study of transitional doubly-odd /sup 186/Ir and /sup 184/Ir

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

Ben Braham, A.; Bourgeois, C.; Kilcher, P.

1987-12-10

The transitional doubly-odd iridium nuclei with A = 184 and 186 have been studied from the ..beta../sup +//EC decay of the corresponding platinum isotopes using the on-line mass separator ISOCELE. Configurations can be reasonably Attributed to the low-lying states of /sup 184/Ir in agreement with results already known. On the other hand an E3 transition observed in /sup 186/Ir suggests that the known long-lived 1.7h 2/sup -/ state is located at 137.5 keV above the 16h 5/sup +/ state, raising questions about structure of this latter state.

Paleocene-eocene lignite beds of southwest Alabama: Parasequence beds in highstand systems tracts

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

Mancini, E.A.; Tew, B.H.; Carroll, R.E.

1993-09-01

In southwest Alabama, lignite beds are present in at least four stratigraphic intervals that span approximately 8 m.y. of geologic time. Lignite is found in the Paleocene Oak Hill Member and Coal Bluff Member of the Naheola Formation of the Midway Group and the Paleocene Tuscahoma Sand and the Eocene Hatchetigbee Formation of the Wilcox Group. Lignite beds range in thickness from 0.5 to 11 ft and consist of 32-53% moisture, 13-39% volatile matter, 4-36% fixed carbon, and 5-51% ash. These Paleocene and Eocene lignite beds occur as parasequence deposits in highstand systems tracts of four distinct third-order depositional sequences.more » The lignite beds are interpreted as strata within highstand systems tract parasequences that occur in mud-dominated regressive intervals. Lignite beds were deposited in coastal marsh and low-lying swamp environments as part of deltaic systems that prograded into southwestern Alabama from the west. As sediment was progressively delivered into the basin from these deltas, the effects of relative sea level rise during an individual cycle were overwhelmed, producing a net loss of accommodation and concomitant overall basinward progradation of the shoreline (regression). Small-scale fluctuations in water depth resulting from the interaction of eustasy, sediment yield, and subsidence led to cyclical flooding of the low-lying coastal marshes and swamps followed by periods of progradational and regression. Highstand systems tract deposition within a particular depositional sequence culminated with a relative sea level fall that resulted in a lowering of base level and an abrupt basinward shift in coastal onlap. Following sea level fall and the subsequent accumulation of the lowstand deposits, significant relative sea level rise resulted in the marine inundation of the area previously occupied by coastal marshes and swamps and deposition of the transgressive systems tract of the overlying sequence.« less

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.

Lying to patients with dementia: Attitudes versus behaviours in nurses.

PubMed

Cantone, Daniela; Attena, Francesco; Cerrone, Sabrina; Fabozzi, Antonio; Rossiello, Riccardo; Spagnoli, Laura; Pelullo, Concetta Paola

2017-01-01

Using lies, in dementia care, reveals a common practice far beyond the diagnosis and prognosis, extending to the entire care process. In this article, we report results about the attitude and the behaviour of nurses towards the use of lies to patients with dementia. An epidemiological cross-sectional study was conducted between September 2016 and February 2017 in 12 elderly residential facilities and in the geriatric, psychiatric and neurological wards of six specialised hospitals of Italy's Campania Region. In all, 106 nurses compiled an attitude questionnaire (A) where the main question was 'Do you think it is ethically acceptable to use lies to patients with dementia?', instead 106 nurses compiled a behaviour questionnaire (B), where the main question was 'Have you ever used lies to patients with dementia?' Ethical considerations: Using lies in dementia care, although topic ethically still controversial, reveals a common practice far beyond the diagnosis and prognosis, extending to the entire care process. Only a small percentage of the interviewed nurses stated that they never used lies/that it is never acceptable to use lies (behaviour 10.4% and attitude 12.3%; p = 0.66). The situation in which nurses were more oriented to use lies was 'to prevent or reduce aggressive behaviors'. Indeed, only the 6.7% in the attitude group and 3.8% in the behaviour group were against using lies. On the contrary, the case in which the nurses were less oriented to use lies was 'to avoid wasting time giving explanations', in this situation were against using lies the 51.0% of the behaviour group and the 44.6% of the attitude group. Our results, according to other studies, support the hypothesis of a low propensity of nurses to ethical reflection about use of lies. In our country, the implementation of guidelines about a correct use of lie in the relationship between health operators and patients would be desirable.

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.