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Sample records for low-lying excitation structure

  1. The structure of low-lying states in ${}^{140}$Sm studied by Coulomb excitation

    CERN Document Server

    Klintefjord, M.; Görgen, A.; Bauer, C.; Bello Garrote, F.L.; Bönig, S.; Bounthong, B.; Damyanova, A.; Delaroche, J.P.; Fedosseev, V.; Fink, D.A.; Giacoppo, F.; Girod, M.; Hoff, P.; Imai, N.; Korten, W.; Larsen, A.C.; Libert, J.; Lutter, R.; Marsh, B.A.; Molkanov, P.L.; Naïdja, H.; Napiorkowski, P.; Nowacki, F.; Pakarinen, J.; Rapisarda, E.; Reiter, P.; Renstrøm, T.; Rothe, S.; Seliverstov, M.D.; Siebeck, B.; Siem, S.; Srebrny, J.; Stora, T.; Thöle, P.; Tornyi, T.G.; Tveten, G.M.; Van Duppen, P.; Vermeulen, M.J.; Voulot, D.; Warr, N.; Wenander, F.; De Witte, H.; Zielińska, M.

    2016-05-02

    The electromagnetic structure of $^{140}$Sm was studied in a low-energy Coulomb excitation experiment with a radioactive ion beam from the REX-ISOLDE facility at CERN. The $2^+$ and $4^+$ states of the ground-state band and a second $2^+$ state were populated by multi-step excitation. The analysis of the differential Coulomb excitation cross sections yielded reduced transition probabilities between all observed states and the spectroscopic quadrupole moment for the $2_1^+$ state. The experimental results are compared to large-scale shell model calculations and beyond-mean-field calculations based on the Gogny D1S interaction with a five-dimensional collective Hamiltonian formalism. Simpler geometric and algebraic models are also employed to interpret the experimental data. The results indicate that $^{140}$Sm shows considerable $\\gamma$ softness, but in contrast to earlier speculation no signs of shape coexistence at low excitation energy. This work sheds more light on the onset of deformation and collectivit...

  2. Low-lying excitations in 72Ni

    Science.gov (United States)

    Morales, A. I.; Benzoni, G.; Watanabe, H.; 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-Hoyborg, V.; Momiyama, S.; Napoli, D. R.; Niikura, M.; Orlandi, R.; Sakurai, H.; Sahin, E.; Sohler, D.; Shaffner, H.; Taniuchi, R.; Taprogge, J.; Vajta, Zs.; Valiente-Dobón, J. J.; Wieland, O.; Yalcinkaya, M.

    2016-03-01

    Low-lying excited states in 72Ni have been investigated in an in-flight fission experiment at the RIBF facility of the RIKEN Nishina Center. The combination of the state-of-the-art BigRIPS and EURICA setups has allowed for a very accurate study of the β decay from 72Co to 72Ni, and has provided first experimental information on the decay sequence 72Fe→72Co→72Ni and on the delayed neutron-emission branch 73Co→72Ni . Accordingly, we report nearly 60 previously unobserved γ transitions which deexcite 21 new levels in 72Ni. Evidence for the location of the so-sought-after (42+) ,(62+) , and (81+) seniority states is provided. As well, the existence of a low-spin β -decaying isomer in odd-odd neutron-rich Co isotopes is confirmed for mass A =72 . The new experimental information is compared to simple shell-model calculations including only neutron excitations across the f p g shells. It is shown that, in general, the calculations reproduce well the observed states.

  3. Multi-configuration Dirac-Hartree-Fock calculations of excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I

    CERN Document Server

    Zhou, Fuyang; Li, Jiguang; Wang, Jianguo

    2015-01-01

    The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation approximation, we systematically analyzed correlation effects from each electrons and electron pairs. It was found that the core correlations are of importance for physical quantities concerned. Based on the analysis, the important configuration state wave functions were selected to constitute atomic state wave functions. By using this computational model, our excitation energies, oscillator strengths, and hyperfine structure constants are in better agreement with experimental values than earlier theoretical works.

  4. Relativistic energy, fine structure and hyperfine structure of the low-lying excited states for Be-like system

    Institute of Scientific and Technical Information of China (English)

    Zhang Meng; Gou Bing-Cong

    2005-01-01

    Variational calculations are carried out with a multiconfiguration-interaction wavefunction on the 1s22p2p 1De and 1s22p3p 3pe states to obtain the energies including the mass polarization and relativistic corrections for the beryllium isoelectronic sequence (Z=4-10). The oscillator strengths, transition rates and wavelengths are also calculated. Our results are compared with other theoretical and experimental data in the literatures. The fine structure and hyperfine structure of 1s22p3p 3pe state are also explored.

  5. Noncollisional excitation of low-lying states in gaseous nebulae

    Science.gov (United States)

    Rubin, Robert H.

    1986-01-01

    Consideration is given to the effects of processes other than electron collisional excitation on the energy level populations of species of C, N, and O. It is found that dielectronic as well as direct-radiative recombination may contribute significantly and in some cases be the major input to populating the low-lying metastable levels. It is concluded that the most pronounced changes occur when there is a large effective recombination coefficient to a level and when T(e) is low. The most dramatic change among the forbidden lines occurs for the O II forbidden lines.

  6. Low-lying excitations in a strongly interacting Fermi gas

    Science.gov (United States)

    Vale, Christopher; Hoinka, Sascha; Dyke, Paul; Lingham, Marcus

    2016-05-01

    We present measurements of the low-lying excitation spectrum of a strongly interacting Fermi gas across the Bardeen-Cooper-Schrieffer (BCS) to Bose-Einstein condensate (BEC) crossover using Bragg spectroscopy. By focussing the Bragg lasers onto the central volume of the cloud we can probe atoms at near-uniform density allowing measurement of the homogeneous density-density response function. The Bragg wavevector is set to be approximately half of the Fermi wavevector to probe the collective response. Below the superfluid transition temperature the Bragg spectra dominated by the Bogoliubov-Anderson phonon mode. Single particle excitations become visible at energies greater than twice the pairing gap. As interactions are tuned from the BCS to BEC regime the phonon and single particle modes separate apart and both the pairing gap and speed of sound can be directly read off in certain regions of the crossover. Single particle pair-breaking excitations become heavily suppressed as interactions are tuned from the BCS to BEC regimes.

  7. Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State Methods.

    Science.gov (United States)

    Prlj, Antonio; Sandoval-Salinas, María Eugenia; Casanova, David; Jacquemin, Denis; Corminboeuf, Clémence

    2016-06-14

    The description of low-lying ππ* states of linear acenes by standard electronic structure methods is known to be challenging. Here, we broaden the framework of this problem by considering a set of fused heteroaromatic rings and demonstrate that standard electronic structure methods do not provide a balanced description of the two (typically) lowest singlet state (La and Lb) excitations. While the Lb state is highly sensitive to correlation effects, La suffers from the same drawbacks as charge transfer excitations. We show that the comparison between CIS/CIS(D) can serve as a diagnostic for detecting the two problematic excited states. Standard TD-DFT and even its spin-flip variant lead to inaccurate excitation energies and interstate gaps, with only a double hybrid functional performing somewhat better. The complication inherent to a balanced description of these states is so important that even CC2 and ADC(2) do not necessarily match the ADC(3) reference.

  8. Radiative Decays of Low-Lying Excited-State Hyperons

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Simon [Rice Univ., Houston, TX (United States)

    2000-05-01

    The quark wave-functions of the lower-lying excited-state hyperons Lambda(1405), Sigma(1385), and Lambda(1520) are not well understood. For example, the Lambda(1405) may not be a regular three-quark state but a $\\bar{K}$N molecule. Several competing models have been proposed, but none have been convincingly eliminated. Measuring radiative decays provides a means of discriminating between the models. The radiative branching of ratios are predicted to be small (~1%), but the radiative widths vary by factors of 2-10 from model to model. The existing experimental data is sparse and inconsistent; moreover, the radiative decay of the Sigma(1385) has never been observed before (except for one event). These lower-lying excited state hypersons were produced in a tagged photon-beam experiment in the CLAS detector at TJNAF in the reaction gamma p → K+ Y* for photon energies from threshold to 2.4 GeV. The radiative branching ration for the Sigma0(1385) relative to the Sigma0(1385) → Lambda pi0 channel was measured to be 0.021 ± 0.008$+0.004\\atop{-0.007}$, corresponding to a partial width of 640 ± 270$+130\\atop{-220}$ keV.

  9. Iterative solutions for low lying excited states of a class of Schr(o)dinger equation

    Institute of Scientific and Technical Information of China (English)

    R.Friedberga; T.D.Lee; Zhao Wei-Qin

    2006-01-01

    The convergent iterative procedure for solving the groundstate Schr(o)dinger equation is extended to derive the excitation energy and the wavefunction of the low-lying excited states. The method is applied to the one-dimensional quartic potential problem. The results show that the iterative solution converges rapidly when the coupling g is not too small.

  10. Iterative Solutions for Low Lying Excited States of a Class of Schroedinger Equation

    CERN Document Server

    Friedberg, R; Zhao, W Q

    2006-01-01

    The convergent iterative procedure for solving the groundstate Schroedinger equation is extended to derive the excitation energy and the wave function of the low-lying excited states. The method is applied to the one-dimensional quartic potential problem. The results show that the iterative solution converges rapidly when the coupling $g$ is not too small.

  11. Short-range correlations in low-lying nuclear excited states

    CERN Document Server

    Mokhtar, S R; Lallena, A M; Mokhtar, Sherif R.; Co', Giampaolo; Lallena, Antonio M.

    2000-01-01

    The electromagnetic transitions to various low-lying excited states of 16O, 48Ca and 208Pb are calculated within a model which considers the short-range correlations. In general the effects of the correlations are small and do not explain the required quenching to describe the data.

  12. EXCITATION OF LOW-LYING STATES IN ND-144 BY MEANS OF (E,E') SCATTERING

    NARCIS (Netherlands)

    PERRINO, R; BLASI, N; DELEO, R; HARAKEH, MN; DEJAGER, CW; MICHELETTI, S; MIEREMET, J; PIGNANELLI, M; PONOMAREV, VY; SANDOR, RKJ; DEVRIES, H

    1993-01-01

    The low-lying states of Nd-144 have been investigated up to an excitation energy of 3.1 MeV by means of high-resolution inelastic electron scattering. Transition charge densities have been extracted for natural-parity states. The experimental data have been compared with the predictions of the quasi

  13. Quantum chemical characterization of low-lying excited states of an aryl peroxycarbonate: mechanistic implications for photodissociation.

    Science.gov (United States)

    Olsen, Seth; Schwarzer, Dirk; Troe, Jürgen; Smith, Sean C

    2010-04-01

    Recent experiments have revealed the existence of an excited state dissociative mechanism for certain peroxycarbonates, with the demonstration that the lifetime of the excited state matches the picosecond time scale for appearance of nascent carbon dioxide product. The data infer that the photoreaction proceeds via an effectively concerted three-body dissociation within the lifetime of the singlet excited state. Many other arylperoxides decay sequentially via [(aryloxy)carbonyl]oxy radical intermediates on nanosecond-microsecond time scales. Uncertainty as to the lifetime of the excited state relates to the character and the relative energetic ordering of states of the parent molecule, since the spectra and photochemistry imply that low-lying states may exist on each of the aryl, carbonate, and peroxide chemical functionalities. We employ many-body electronic structure calculations to determine the energies and characters of the low-lying valence states of a minimal aryl peroxycarbonate model germane to the above-mentioned experiments, methyl phenyl peroxycarbonate (MPC). Our results indicate that the lowest-lying state is an intrinsically nondissociative aryl pipi* excited state. We identify additional low-lying states that are expected to be dissociative in nature and propose that the time scales observed for the dissociation reaction may correspond to the time scale for transfer of excited state population to these states.

  14. Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds.

    Science.gov (United States)

    Feixas, Ferran; Vandenbussche, Jelle; Bultinck, Patrick; Matito, Eduard; Solà, Miquel

    2011-12-14

    Aromaticity is a property usually linked to the ground state of stable molecules. Although it is well-known that certain excited states are unquestionably aromatic, the aromaticity of excited states remains rather unexplored. To move one step forward in the comprehension of aromaticity in excited states, in this work we analyze the electron delocalization and aromaticity of a series of low-lying excited states of cyclobutadiene, benzene, and cyclooctatetraene with different multiplicities at the CASSCF level by means of electron delocalization measures. While our results are in agreement with Baird's rule for the aromaticity of the lowest-lying triplet excited state in annulenes having 4nπ-electrons, they do not support Soncini and Fowler's generalization of Baird's rule pointing out that the lowest-lying quintet state of benzene and septet state of cyclooctatetraene are not aromatic.

  15. Does a proton "bubble" structure exist in the low-lying states of 34Si?

    CERN Document Server

    Yao, J M; Li, Z P

    2013-01-01

    The possible existence of a "bubble" structure in the proton density of $^{34}$Si has recently attracted a lot of research interest. To examine the existence of the "bubble" structure in low-lying states, we establish a relativistic version of configuration mixing of both particle number and angular momentum projected quadrupole deformed mean-field states and apply this state-of-the-art beyond relativistic mean-field method to study the density distribution of the low-lying states in $^{34}$Si. An excellent agreement with the data of low-spin spectrum and electric multipole transition strengths is achieved without introducing any parameters. We find that the central depression in the proton density is quenched by dynamic quadrupole shape fluctuation, but not as significantly as what has been found in a beyond non-relativistic mean-field study. Our results suggest that the existence of proton "bubble" structure in the low-lying excited $0^+_2$ and $2^+_1$ states is very unlikely.

  16. Inelastic light scattering by low-lying excitations of electrons in low-dimensional semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Pellegrini, V. [NEST CNR-INFM and Scuola Normale Superiore, Pisa (Italy); Pinczuk, A. [Department of Physics, Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States); Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey (United States)

    2006-11-15

    The low-dimensional electron systems that reside in artificial semiconductor heterostructures of great perfection are a contemporary materials base for explorations of collective phenomena. Studies of low-lying elementary excitations by inelastic light scattering offer insights on properties such energetics, interactions and spin magnetization. We review here recent light scattering results obtained from two-dimensional (2D) quantum fluids in semiconductor heterostructures under extreme conditions of low temperature and large magnetic field, where the quantum Hall phases are archetypes of novel behaviors. We also consider recent light scattering experiments that have probed the excitation spectra of few-electron states in semiconductor quantum dots. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Electron-impact excitation of the low-lying electronic states of HCN

    Science.gov (United States)

    Chutjian, A.; Tanaka, H.; Srivastava, S. K.; Wicke, B. G.

    1977-01-01

    The first study of the low-energy electron-impact excitation of low-lying electronic transitions in the HCN molecule is reported. Measurements were made at incident electron energies of 11.6 and 21.6 eV in the energy-loss range of 3-10 eV, and at scattering angles of 20-130 deg. Inelastic scattering spectra were placed on the absolute cross-section scale by determining first the ratio of inelastic-to-elastic scattering cross sections, and then separately measuring the absolute elastic scattering cross section. Several new electronic transitions are observed which are intrinsically overlapped in the molecule itself. Assignments of these electronic transitions are suggested. These assignments are based on present spectroscopic and cross-sections measurements, high-energy electron scattering spectra, optical absorption spectra, and ab initio molecular orbital calculations.

  18. Potential energy curves for the ground and low-lying excited states of CuAg

    Energy Technology Data Exchange (ETDEWEB)

    Alizadeh, Davood; Shayesteh, Alireza, E-mail: jamshidi@ccerci.ac.ir, E-mail: ashayesteh@ut.ac.ir [School of Chemistry, College of Science, University of Tehran, 14176 Tehran (Iran, Islamic Republic of); Jamshidi, Zahra, E-mail: jamshidi@ccerci.ac.ir, E-mail: ashayesteh@ut.ac.ir [Chemistry and Chemical Engineering Research Center of Iran, 14335-186 Tehran (Iran, Islamic Republic of)

    2014-10-21

    The ground and low-lying excited states of heteronuclear diatomic CuAg are examined by multi-reference configuration interaction (MRCI) method. Relativistic effects were treated and probed in two steps. Scalar terms were considered using the spin-free DKH Hamiltonian as a priori and spin-orbit coupling was calculated perturbatively via the spin-orbit terms of the Breit-Pauli Hamiltonian based on MRCI wavefunctions. Potential energy curves of the spin-free states and their corresponding Ω components correlating with the separated atom limits {sup 2}S(Cu) + {sup 2}S(Ag) and {sup 2}D(Cu) + {sup 2}S(Ag) are obtained. The results are in fine agreement with the experimental measurements and tentative conclusions for the ion-pair B0{sup +} state are confirmed by our theoretical calculations. Illustrative results are presented to reveal the relative importance and magnitude of the scalar and spin-orbit effects on the spectroscopic properties of this molecule. Time dependent density functional theory calculations, using the LDA, BLYP, B3LYP, and SAOP functionals have been carried out for CuAg and the accuracy of TD-DFT has been compared with ab initio results.

  19. Microscopic description of low-lying M1 excitations in odd-mass actinide nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Tabar, Emre, E-mail: etabar@sakarya.edu.tr [Physics Department, Sakarya University, 54187 Sakarya (Turkey); Biomedical, Magnetic and Semiconductor Materials Research Center (BIMAS-RC), Sakarya University, 54187 Sakarya (Turkey); Yakut, Hakan, E-mail: hyakut@sakarya.edu.tr [Physics Department, Sakarya University, 54187 Sakarya (Turkey); Biomedical, Magnetic and Semiconductor Materials Research Center (BIMAS-RC), Sakarya University, 54187 Sakarya (Turkey); Kuliev, Ali Akbar [Azerbaijan National Academy of Aviation, Baku (Azerbaijan)

    2017-01-15

    A restoration method of a broken symmetry which allows self-consistent determination of the separable effective restoration forces is now adapted to odd-mass nuclei in order to restore violated rotational invariance (RI-) of the Quasiparticle Phonon Nuclear Model (QPNM) Hamiltonian. Because of the self-consistency of the method, these effective forces contain no arbitrary parameters. Within RI-QPNM, the properties of the low-lying magnetic dipole excitations in odd-mass deformed {sup 229–233}Th and {sup 233–239}U nuclei have been investigated for the first time. It has been shown that computed fragmentation of the M1 strengths below 4 MeV in these nuclei is much stronger than that in neighboring doubly even {sup 228–232}Th and {sup 232–238}U nuclei. For {sup 235}U the summed M1 strength in the energy range 1.5–2.8 MeV is in agreement with the relevant experimental data where the missing strength was extracted by means of a fluctuation analysis.

  20. Microscopic description of low-lying M1 excitations in odd-mass actinide nuclei

    Science.gov (United States)

    Tabar, Emre; Yakut, Hakan; Kuliev, Ali Akbar

    2017-01-01

    A restoration method of a broken symmetry which allows self-consistent determination of the separable effective restoration forces is now adapted to odd-mass nuclei in order to restore violated rotational invariance (RI-) of the Quasiparticle Phonon Nuclear Model (QPNM) Hamiltonian. Because of the self-consistency of the method, these effective forces contain no arbitrary parameters. Within RI-QPNM, the properties of the low-lying magnetic dipole excitations in odd-mass deformed 229-233Th and 233-239U nuclei have been investigated for the first time. It has been shown that computed fragmentation of the M1 strengths below 4 MeV in these nuclei is much stronger than that in neighboring doubly even 228-232Th and 232-238U nuclei. For 235U the summed M1 strength in the energy range 1.5-2.8 MeV is in agreement with the relevant experimental data where the missing strength was extracted by means of a fluctuation analysis.

  1. Testing the tetraquark structure for the X resonances in the low-lying region

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hungchong [Kookmin University, Department of General Education, Seoul (Korea, Republic of); Kim, K.S. [Korea Aerospace University, School of Liberal Arts and Science, Goyang (Korea, Republic of); Cheoun, Myung-Ki [Soongsil University, Department of Physics, Seoul (Korea, Republic of); Jido, Daisuke [Tokyo Metropolitan University, Department of Physics, Hachioji, Tokyo (Japan); Oka, Makoto [Tokyo Institute of Technology, Department of Physics, Meguro (Japan); Japan Atomic Energy Agency, Advanced Science Research Center, Tokai, Ibaraki (Japan)

    2016-07-15

    Assuming the four-quark structure for the X resonances in the low-lying region, we calculate their masses using the color-spin interaction. Specifically, the hyperfine masses of the color-spin interaction are calculated for the possible states in spin-0, spin-1, spin-2 channels. The two states in spin-0 channel as well as the two states in spin-1 channel are diagonalized in order to generate the physical hyperfine masses. By matching the difference in hyperfine masses with the splitting in corresponding hadron masses and using the X(3872) mass as an input, we estimate the masses corresponding to the states J{sup PC} = 0{sup ++}, 1{sup +-}, 2{sup ++}. We find that the masses of two states in 1{sup +-} are close to those of X(3823), X(3900), and the mass of the 2{sup ++} state is close to that of X(3940). For them, the discrepancies are about ∝ 10 MeV. This may suggest that the quantum numbers of the controversial states are X(3823) = 1{sup +-}, X(3900) = 1{sup +-}, X(3940) = 2{sup ++}. In this work, we use the same inputs parameters, the constituent quark masses and the strength of the color-spin interaction, that have been adopted in the previous work on the D- or B-meson excited states. There, it was shown that the four-quark structure can be manifested in their excited states. Thus, our results in this work provide a consistent treatment on open- and hidden-charm mesons as far as the four-quark model is concerned. (orig.)

  2. Probing ground and low-lying excited states for HIO{sub 2} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Gabriel L. C. de [Departamento de Química, Universidade Federal de Mato Grosso, Cuiabá, Mato Grosso 78060-900 (Brazil); Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Itacoatiara, Amazonas 69100-000 (Brazil); Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Brown, Alex, E-mail: alex.brown@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)

    2014-12-21

    We present a computational study on HIO{sub 2} molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10{sup −3})

  3. Probing ground and low-lying excited states for HIO2 isomers

    Science.gov (United States)

    de Souza, Gabriel L. C.; Brown, Alex

    2014-12-01

    We present a computational study on HIO2 molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10-3).

  4. Shell evolution of stable N = 50-56 Zr and Mo nuclei with respect to low-lying octupole excitations

    Energy Technology Data Exchange (ETDEWEB)

    Gregor, E.T.; Scheck, M.; Chapman, R.; Gaffney, L.P.; Keatings, J.; Mashtakov, K.R.; O' Donnell, D.; Smith, J.F.; Spagnoletti, P.; Wiseman, C. [University of the West of Scotland, School of Engineering and Computing, Paisley (United Kingdom); SUPA, Scottish Universities Physics Alliance, Glasgow (United Kingdom); Thuerauf, M.; Werner, V. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany)

    2017-03-15

    For the N = 50-56 zirconium (Z = 40) and molybdenum (Z = 42) isotopes, the evolution of subshells is evaluated by extracting the effective single-particle energies from available particle-transfer data. The extracted systematic evolution of neutron subshells and the systematics of the excitation energy of the octupole phonons provide evidence for type-II shape coexistence in the Zr isotopes. Employing a simplistic approach, the relative effective single-particle energies are used to estimate whether the formation of low-lying octupole-isovector excitations is possible at the proposed energies. The results raise doubts about this assignment. (orig.)

  5. Interplay between single-particle and collective degrees of freedom in the excitation of the low-lying states in sup 142 Nd

    Energy Technology Data Exchange (ETDEWEB)

    Sandor, R.K.J.; Blok, H.P.; Harakeh, M.N. (Dept. of Physics and Astronomy, Vrije Univ., Amsterdam (Netherlands)); Garg, U. (Dept. of Physics and Astronomy, Vrije Univ., Amsterdam (Netherlands) Physics Dept., Univ. Notre Dame, IN (United States)); Jager, C.W. de; Vries, H. de (Nationaal Inst. voor Kernfysica en Hoge-Energie Fysica, Amsterdam (Netherlands)); Ponomarev, V.Yu.; Vdovin, A.I. (Lab. of Theoretical Physics, Joint Inst. for Nuclear Research Dubna, Moscow (USSR))

    1991-12-30

    The low-lying excited states in {sup 142}Nd were investigated by inelastic electron scattering. The momentum transfer range covered was 0.5-2.8 fm{sup -1}. Transition charge densities were extracted for natural-parity states from 0{sup +} up to 9{sup -} and up to an excitation energy of 3.5 MeV. For several new excited states spin and parity assignments have been suggested. The experimental transition charge densities have been interpreted with the aid of the quasiparticle-phonon model (QPM). The QPM is well-suited to investigate the contribution of collective and single-particle degrees of freedom to excited states in spherical nuclei. On the basis of the QPM calculations it is shown that in {sup 142}Nd both degrees of freedom play an important role, as well as the interplay between them. Both the strength distribution and the structure of the transition charge densities of the low-lying excited states are well described by the calculations. The origin of the structure in the nuclear interior usually predicted by microscopic calculations but not observed experimentally is explained. An argument for the proton number dependence of the excitation energy of the 3{sub 1}{sup -} state in the N=82 isotones is given. (orig.).

  6. Ground and low-lying excited electronic states of graphene flakes: a density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Tachikawa, Hiroto; Kawabata, Hiroshi, E-mail: hiroto@eng.hokudai.ac.jp [Division of Materials Chemistry, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628 (Japan)

    2011-10-28

    Structures and electronic states of graphene flakes (finite and small sized graphenes) have been investigated by means of the density functional theory method. Sizes of graphene flakes examined in this study were n = 7, 10, 14, 19, 29 and 44, where n is the number of benzene rings in the graphene flake. The excitation energies of graphene flakes decreased gradually as a function of the number of the ring (n). The orbitals of the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) are localized in the edge region of the graphene flake. It was found that the edge region can react with a water molecule and H{sub 2}O is dissociated into OH radical and hydrogen atom (H) without an activation barrier. A lithium ion can bind strongly to the edge region. The ability of the edge region in the graphene flakes was discussed on the basis of theoretical results.

  7. Nature of low-lying electric dipole resonance excitations in 74Ge

    CERN Document Server

    Negi, D; Lanza, E G; Litvinova, E; Vitturi, A; Bark, R A; Bernstein, L A; Bleuel, D L; Bvumbi, S; Bucher, T D; Daub, B H; Dinoko, T S; Easton, J L; Gorgen, A; Guttormsen, M; Jones, P; Kheswa, B V; Khumalo, N A; Larsen, A C; Lawrie, E A; Lawrie, J J; Majola, S N T; Masiteng, L P; Nchodu, M R; Ndayishimye, J; Newman, R T; Noncolela, S P; Orce, J N; Papka, P; Pellegri, L; Renstrøm, T; Roux, D G; Schwengner, R; Shirinda, O; Siem, S

    2016-01-01

    Isospin properties of dipole excitations in 74 Ge are investigated using the ({\\alpha},{\\alpha}'{\\gamma}) reaction and compared to ({\\gamma},{\\gamma}) data. The results indicate that the dipole excitations in the energy region of 6 to 9 MeV adhere to the scenario of the recently found splitting of the region of dipole excitations into two separated parts: one at low energy, being populated by both isoscalar and isovector probes, and the other at high energy, excited only by the electromagnetic probe. Relativistic quasiparticle time blocking approximation (RQTBA) calculations show a reduction in the isoscalar E1 strength with an increase in excitation energy, which is consistent with the measurement.

  8. Hierarchy of the low-lying excitations for the (2 + 1)-dimensional q = 3 Potts model in the ordered phase

    Science.gov (United States)

    Nishiyama, Yoshihiro

    2017-03-01

    The (2 + 1)-dimensional q = 3 Potts model was simulated with the exact diagonalization method. In the ordered phase, the elementary excitations (magnons) are attractive, forming a series of bound states in the low-energy spectrum. We investigate the low-lying spectrum through a dynamical susceptibility, which is readily tractable with the exact diagonalization method via the continued-fraction expansion. As a result, we estimate the series of (scaled) mass gaps, m 2 , 3 , 4 /m1 (m1: single-magnon mass), in proximity to the transition point.

  9. Electronic spectra and excited state dynamics of pentafluorophenol: Effects of low-lying πσ{sup ∗} states

    Energy Technology Data Exchange (ETDEWEB)

    Karmakar, Shreetama; Mukhopadhyay, Deb Pratim; Chakraborty, Tapas, E-mail: pctc@iacs.res.in [Physical Chemistry Department, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India)

    2015-05-14

    Multiple fluorine atom substitution effect on photophysics of an aromatic chromophore has been investigated using phenol as the reference system. It has been noticed that the discrete vibronic structure of the S{sub 1}←S{sub 0} absorption system of phenol vapor is completely washed out for pentafluorophenol (PFP), and the latter also shows very large Stokes shift in the fluorescence spectrum. For excitations beyond S{sub 1} origin, the emission yield of PFP is reduced sharply with increase in excess vibronic energy. However, in a collisional environment like liquid hydrocarbon, the underlying dynamical process that drives the non-radiative decay is hindered drastically. Electronic structure theory predicts a number of low-lying dark electronic states of πσ{sup ∗} character in the vicinity of the lowest valence ππ{sup ∗} state of this molecule. Tentatively, we have attributed the excitation energy dependent non-radiative decay of the molecule observed only in the gas phase to an interplay between the lowest ππ{sup ∗} and a nearby dissociative πσ{sup ∗} state. Measurements in different liquids reveal that some of the dark excited states light up with appreciable intensity only in protic liquids like methanol and water due to hydrogen bonding between solute and solvents. Electronic structure theory methods indeed predict that for PFP-(H{sub 2}O){sub n} clusters (n = 1-11), intensities of a number of πσ{sup ∗} states are enhanced with increase in cluster size. In contrast with emitting behavior of the molecule in the gas phase and solutions of nonpolar and polar aprotic liquids, the fluorescence is completely switched off in polar protic liquids. This behavior is a chemically significant manifestation of perfluoro effect, because a very opposite effect occurs in the case of unsubstituted phenol for which fluorescence yield undergoes a very large enhancement in protic liquids. Several dynamical mechanisms have been suggested to interpret the

  10. Electron-impact excitation of the low-lying electronic states of formaldehyde

    Science.gov (United States)

    Chutjian, A.

    1974-01-01

    Electron-impact excitation has been observed at incident electron energies of 10.1 and 20.1 eV to the first five excited electronic states of formaldehyde lying at and below the 1B2 state at 7.10 eV. These excitations include two new transitions in the energy-loss range 5.6-6.2 eV and 6.7-7.0 eV which have been detected for the first time, either through electron-impact excitation or photon absorption. The differential cross sections of these new excitations are given at scattering angles between 15 and 135 deg. These cross-section ratios peak at large scattering angles - a characteristic of triplet - singlet excitations. The design and performance of the electron-impact spectrometer used in the above observations is outlined and discussed.

  11. Theoretical Study on Vibronic Interactions and Photophysics of Low-Lying Excited Electronic States of Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Samala, Nagaprasad Reddy; Mahapatra, S.

    2014-06-01

    Polycyclic aromatic hydrocarbons (PAHs), in particular, their radical cation (PAH^+), have long been postulated to be the important molecular species in connection with the spectroscopic observations in the interstellar medium. Motivated by numerous important observations by stellar as well as laboratory spectroscopists, we undertook detailed quantum mechanical studies of the structure and dynamics of electronically excited PAH^+ in an attempt to establish possible synergism with the recorded data In this study, we focus on the quantum chemistry and dynamics of the doublet ground (X) and low-lying excited (A, B and C) electronic states of the radical cation of tetracene (Tn), pentacene (Pn), and hexacene (Hn) molecule. This study is aimed to unravel photostability, spectroscopy, and time-dependent dynamics of their excited electronic states. In order to proceed with the theoretical investigations, we construct suitable multistate and multimode Hamiltonian for these systems with the aid of extensive ab initio calculations of their electronic energy surfaces. The diabatic coupling surfaces are derived from the calculated adiabatic electronic energies. First principles nuclear dynamics calculations are then carried out employing the constructed Hamiltonians and with the aid of time-independent and time-dependent quantum mechanical methods. We compared our theoretical results with available photoelectron spectroscopy, zero kinetic energy photoelectron (ZEKE) spectroscopy and matrix isolation spectroscopy (MIS) results. A peak at 8650 Å in the B state spectrum of Tn^+ is in good agreement with the DIB at 8648 Å observed by Salama et al. Similarly in Pn^+, a peak at 8350 Å can be correlated to the DIB at 8321 Å observed by Salama et al. J. Zhang et al., J. Chem. Phys., 128,104301 (2008).; F. Salama, Origins of Life Evol. Biosphere, 28, 349 (1998).; F. Salama et al., Planet. Space Sci., 43, 1165 (1995).; F. Salama et al., Astrophys. J., 526, 265 (1999).; J

  12. A density matrix renormalization group study of low-lying excitations of polythiophene within a Pariser-Parr-Pople model

    Indian Academy of Sciences (India)

    Mosumi Das; S Ramasesha

    2006-01-01

    Symmetrized density-matrix-renormalization-group calculations have been carried out, within Pariser-Parr-Pople Hamiltonian, to explore the nature of the ground and low-lying excited states of long polythiophene oligomers. We have exploited 2 symmetry and spin parity of the system to obtain excited states of experimental interest, and studied the lowest dipole allowed excited state and lowest dipole forbidden two photon state, for different oligomer sizes. In the long system limit, the dipole allowed excited state always lies below the lowest dipole forbidden two-photon state which implies, by Kasha rule, that polythiophene fluoresces strongly. The lowest triplet state lies below two-photon state as usual in conjugated polymers. We have doped the system with a hole and an electron and obtained the charge excitation gap and the binding energy of the $1^{1} B_{u}^{-}$ exciton. We have calculated the charge density of the ground, one-photon and two-photon states for the longer system size of 10 thiophene rings to characterize these states. We have studied bond order in these states to get an idea about the equilibrium excited state geometry of the system. We have also studied the charge density distribution of the singly and doubly doped polarons for longer system size, and observe that polythiophenes do not support bipolarons.

  13. Low lying excitations in odd deformed nucleus studied by nuclear resonance fluorescence

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, A.E. Almeida [Sao Paulo Univ., SP (Brazil). Inst. de Fisica; Margraf, J.; Nord, A. [Stuttgart Univ. (Germany). Inst. fuer Strahlenphysik] [and others

    1997-12-31

    Nuclear resonance fluorescence experiment was performed on {sup 153} Eu using the Bremsstrahlung beam of the Stuttgart Dynamitron and high resolution Ge-{gamma}-spectrometers. Detailed information was obtained on excitation energies, decay widths, transition probabilities, and branching ratios to study the fragmentation of the M1 scissors mode, and try establishing a systematics to explain the different fragmentation behavior of the dipole strengths in the odd isotopes recently studied. (author) 11 refs., 1 fig.; emilia at axpfep1.if.usp.br

  14. Electron impact excitation and assignment of the low-lying electronic states of CO2

    Science.gov (United States)

    Hall, R. I.; Trajmar, S.

    1973-01-01

    Electron scattering spectra of CO2 are reported in the 7 to 10 eV energy-loss range, at energies of 0.2, 0.35, 0.6, 0.7, and 7.0 eV above threshold, and at a scattering angle of 90 deg. Several new distinct overlapping continua with weak, diffuse bands superimposed are observed to lie in this energy-loss range. The experimental spectra are discussed in the light of recent ab initio configuration-interaction calculations of the vertical transition energies of CO2. The experimental spectra are shown to be consistent with the excitation states of CO2.

  15. Excitation of the low lying vibrational levels of H2O by O(3P) as measured on Spacelab 2

    Science.gov (United States)

    Meyerott, R. E.; Swenson, G. R.; Schweitzer, E. L.; Koch, D. G.

    1994-01-01

    The data from the infrared telescope (IRT), which was flown on space shuttle Challenger Spacelab 2 mission (July 1985), were originally reported by Koch et al. (1987) as originating from near orbital emissions, primarily H2O. In this study, analysis of this data was extended to determine the collisional cross sections for the excitation of the low lying vibrational levels of H2O, present in the orbiter cloud, by atmospheric O(3P). The evaluation of the contribution to the measured signal from solar excitation and ram O excitation of outgassing H2O permits the determination of the H2O column density and the excitation cross section of the (101) level at an O(3P) velocity of approximately 7.75 km/s. Contributions to the radiation in the 1.7-3.0 micron band by transitions from the (100), (001), and multiquantum excited levels are discussed. The findings of the study are (1) the IRT data for the 4.5-9.5 micron and the nighttime data for the 1.7-3.0 micron sensors are consistent with being explained by collision excitation of H2O by O(3P), (2) diurnal variations of 4.5-9.5 micron intensities follow the model predicted O density for a full orbit, (3) daytime increases in the H2O cloud density were not evident, (4) the cross sections for the collisional excitation process are derived and compared to values computated by Johnson (1986) and Redmon et al. (1986), (5) theoretical investigation suggests greater than 60% of the radiation from H2O is a result of multiphoton emission resulting from collisional multiquanta excitation, and (6) the large daytime increase in the 1.7-3.0 micron intensity data suggests that O(+) may likely be instrumental in producing excited H2O(+) through charge exchange.

  16. Electron impact excitation and assignment of the low-lying electronic states of N2O

    Science.gov (United States)

    Hall, R. I.; Chutjian, A.; Trajmar, S.

    1973-01-01

    Electron scattering spectra of nitrous oxide are reported in the 5- to 10-eV energy-loss range at scattering angles of 20, 30, 90, and 130 deg at a residual energy of 7.0 eV; and at residual energies of 10.0, 2.0, 1.0, 0.6, and 0.2 eV at a scattering angle of 90 deg. Several new distinct and overlapping continua are observed to lie in this energy-loss range. The experimental spectra are discussed in the light of semiempirical INDO calculations of Chutjian and Segal (1972) of the vertical transition energies of N2O. An assignment of the symmetries of the observed excitations consistent with the experimental and theoretical data is suggested.

  17. Three-Dimensional Angular Momentum Projected Relativistic Point-Coupling Approach for Low-Lying Excited States in 24Mg

    Institute of Scientific and Technical Information of China (English)

    Yao Jiang-Ming; Meng Jie; D. Pena Arteaga; P. Ring

    2008-01-01

    A full three-dimensional angular momentum projection on top of a triaxial relativistic mean-field calculation is implemented for the first time. The underlying Lagrangian is a point coupling model and pairing correlations are taken into account by a monopole force. This method is applied for the low-lying excited states in 24Mg. Good agreement with the experimental data is found for the ground state properties. A minimum in the potential energy surface for the 2+ state, with β≈ 0.55, γ≈ 10°, is used as the basis to investigate the rotational energyspectrum as well as the corresponding B(E2) transition probabilities as compared to the available data.

  18. Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl~+

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl+,one of the important molecular ions in environment science,have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry.Through analyses of the effects of the spin-orbit coupling interaction on the elec-tronic structures and spectroscopic properties,the multiconfiguration characteristic of the X2Π ground state and low-lying excited states was established.The spin-orbit coupling splitting energy of the X2 Π ground state was calculated to be 1814 cm-1,close to the experimental value 2070 cm-1.The spin-orbit coupling splitting energy of the 2Π(Ⅱ) exited state was predicted to be 766 cm-1.The transition dipole moments and Frank-Condon factors of the 3/2(Ⅲ)-X3/2 and 1/2(Ⅲ)-1/2(I) transitions were estimated,and the radiative lifetimes of the two transitions were briefly discussed.

  19. Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl+

    Institute of Scientific and Technical Information of China (English)

    WANG MingWei; WANG BingWu; CHEN ZhiDa

    2008-01-01

    The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl+, one of the important molecular ions in environment science, have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry. Through analyses of the effects of the spin-orbit coupling interaction on the electronic structures and spectroscopic properties, the multiconfiguration characteristic of the X2∏ ground state and low-lying excited states was established. The spin-orbit coupling splitting energy of the X2∏ ground state was calculated to be 1814 cm-1, close to the experimental value 2070 cm-1. The spin-orbit coupling splitting energy of the 2∏(Ⅱ) exited state was predicted to be 766 cm-1. The transition dipole moments and Frank-Condon factors of the 3/2(Ⅲ)-X3/2 and 1/2(Ⅲ)-1/2(Ⅰ) transitions were estimated, and the radiative lifetimes of the two transitions were briefly discussed.

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

    Science.gov (United States)

    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.

  1. Low-lying levels and high-spin band structures in sup 1 sup 0 sup 2 Rh

    CERN Document Server

    Gizon, J; Timar, J; Cata-Danil, G; Nyakó, B M; Zolnai, L; Boston, A J; Joss, D T; Paul, E S; Semple, A T; O'Brien, N J; Parry, C M; Bucurescu, D; Brant, S; Paar, V

    1999-01-01

    Levels in sup 1 sup 0 sup 2 Rh have been populated in the reaction sup 7 sup 0 Zn+ sup 3 sup 6 S at 130 MeV. The level structure of sup 1 sup 0 sup 2 Rh has been investigated using the EUROGAM II array. Low-lying states and four high-spin bands have been identified. The configurations of low-lying levels and two-quasiparticle bands are interpreted in the frame of the interacting boson-fermion-fermion model. The four observed band structures are also compared with cranked shell model calculations using a modified oscillator potential.

  2. Anharmonic Franck-Condon simulation of the absorption and fluorescence spectra for the low-lying S1 and S2 excited states of pyridine.

    Science.gov (United States)

    Wang, Huan; Zhu, Chaoyuan; Yu, Jian-Guo; Lin, Sheng Hsien

    2009-12-31

    Anharmonic effects of the absorption and fluorescence spectra of pyridine molecule are studied and analyzed for the two-low lying singlet excited states S(1)((1)B(1)) and S(2)((1)B(2)). The complete active space self-consistent field (CASSCF) method is utilized to compute equilibrium geometries and all 27 vibrational normal-mode frequencies for the ground state and the two excited states. The present calculations show that the frequency differences between the ground and two excited states are small for the ten totally symmetric vibrational modes so that the displaced oscillator approximation can be used for spectrum simulations. The Franck-Condon factors within harmonic approximation basically grasp the main features of molecular spectra, but simulated 0-0 transition energy position and spectrum band shapes are not satisfactorily good for S(1)((1)B(1)) absorption and fluorescence spectra in comparison with experiment observation. As the first-order anharmonic correction added to Franck-Condon factors, both spectrum positions and band shapes can be simultaneously improved for both absorption and fluorescence spectra. It is concluded that the present anharmonic correction produces a significant dynamic shifts for spectrum positions and improves spectrum band shapes as well. The detailed structures of absorption spectrum of S(2)((1)B(2)) state observed from experiment can be also reproduced with anharmonic Franck-Condon simulation, and these were not shown in the harmonic Franck-Condon simulation with either distorted or Duschinsky effects in the literature.

  3. Low-lying excitations of poly-fused thiophene within Pariser-Parr-Pople model: A density matrix renormalization group study.

    Science.gov (United States)

    Das, Mousumi

    2010-05-21

    We studied the nature of the ground and low-lying excited states of poly-fused thiophene oligomers within long-range Pariser-Parr-Pople (PPP) model Hamiltonian with up to 14 monomers using symmetrized density matrix renormalization group technique. Our results show that the lowest dipole-allowed state lies below the lowest dipole forbidden two-photon state, indicating that poly-fused thiophenes are strongly fluorescent. The lowest triplet state lies below the two-photon state, which is in agreement with the general trend in conjugated polymers. The charge density and bond order calculations of three low-lying excited states, along with the ground state of fused thiophene oligomers, show a significant transfer of charge from sulfur to adjacent carbon atom in the middle of the largest system size and these excitations are localized. The charge density and bond order calculations on singly and doubly doped states show that bipolarons are not stable entity in these systems. The calculations of low-lying excitations on radical cation and anion of fused thiophene oligomers show a new energy band in the low energy region, which is strongly coupled to its hole and electron conductivity. This implies that poly-fused thiophenes posses novel field-effect transistor properties.

  4. β decay of Si,4038 (Tz=+5 ,+6 ) to low-lying core excited states in odd-odd P,4038 isotopes

    Science.gov (United States)

    Tripathi, Vandana; Lubna, R. S.; Abromeit, B.; Crawford, H. L.; Liddick, S. N.; Utsuno, Y.; Bender, P. C.; Crider, B. P.; Dungan, R.; Fallon, P.; Kravvaris, K.; Larson, N.; Macchiavelli, A. O.; Otsuka, T.; Prokop, C. J.; Richard, A. L.; Shimizu, N.; Tabor, S. L.; Volya, A.; Yoshida, S.

    2017-02-01

    Low-lying excited states in P,4038 have been identified in the β decay of Tz=+5 ,+6 , Si,4038. 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 1p1h states in the even-A phosphorus isotopes. States in 40P with N =25 were found to have very complex configurations involving all the f p 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.

  5. Electromagnetic structure of the low-lying baryons in covariant chiral perturbation theory

    CERN Document Server

    Camalich, J Martin; Geng, L S; Vacas, M J Vicente

    2009-01-01

    We report a calculation of the low-lying baryon magnetic moments using covariant chiral perturbation theory within the extended-on-mass-shell renormalization scheme including intermediate octet and decuplet contributions. For the case of the baryon octet, we succeed to improve the Coleman-Glashow description by including the leading SU(3)$_F$-breaking effects coming from the lowest-order loops. We compare with previous attempts at the same order using heavy-baryon and covariant infrared chiral perturbation theory, and discuss the source of the differences. For the case of the decuplet-baryons we fix the only unknown LEC with the well measured magnetic dipole moment of the $\\Omega^-$ and predict the corresponding ones of the $\\Delta(1232)$ isospin multiplet. In particular we obtain $\\mu_{\\Delta^{++}}=6.0(6) \\mu_N$ and $\\mu_{\\Delta^{+}}=2.84(34) \\mu_N$ that compare well with the current experimental information.

  6. Three-body structure of low-lying {sup 18}Ne states

    Energy Technology Data Exchange (ETDEWEB)

    Lay, J.A. [Universidad de Sevilla, Departamento de Fisica Atomica, Molecular y Nuclear, Sevilla (Spain); Fedorov, D.V.; Jensen, A.S. [Aarhus University, Department of Physics and Astronomy, Aarhus C (Denmark); Garrido, E.; Romero-Redondo, C. [CSIC, Instituto de Estructura de la Materia, Madrid (Spain)

    2010-05-15

    We investigate to what extent {sup 18}Ne can be descibed as a three-body system made of an inert {sup 16}O core and two protons. We compare to experimental data and occasionally to shell model results. We obtain three-body wave functions with the hyperspherical adiabatic expansion method. We study the spectrum of {sup 18}Ne, the structure of the different states and the predominant transition strengths. Two 0{sup +}, two 2{sup +}, and one 4{sup +} bound states are found where they are all known experimentally. Also one 3{sup +} close to threshold is found and several negative-parity states, 1{sup -}, 3{sup -}, 0{sup -}, 2{sup -}, most of them bound with respect to the {sup 16}O excited 3{sup -} state. The structures are extracted as partial-wave components, as spatial sizes of matter and charge, and as probability distributions. Electromagnetic decay rates are calculated for these states. The dominating decay mode for the bound states is E2 and occasionally also M1. (orig.)

  7. Spectroscopic calculations of the low-lying structure in exotic Os and W isotopes

    CERN Document Server

    Nomura, K; Rodriguez-Guzman, R; Robledo, L M; Sarriguren, P; Regan, P H; Stevenson, P D; Podolyak, Zs

    2011-01-01

    Structural evolution in neutron-rich Os and W isotopes is investigated in terms of the Interacting Boson Model (IBM) Hamiltonian determined by (constrained) Hartree-Fock-Bogoliubov (HFB) calculations with the Gogny-D1S Energy Density Functional (EDF). The interaction strengths of the IBM Hamiltonian are produced by mapping the potential energy surface (PES) of the Gogny-EDF with quadrupole degrees of freedom onto the corresponding PES of the IBM system. We examine the prolate-to-oblate shape/phase transition which is predicted to take place in this region as a function of neutron number $N$ within the considered Os and W isotopic chains. The onset of this transition is found to be more rapid compared to the neighboring Pt isotopes. The calculations also allow prediction of spectroscopic variables (excited state energies and reduced transition probabilities) which are presented for the neutron-rich $^{192,194,196}$W nuclei, for which there is only very limited experimental data available to date.

  8. Staggering behavior of the low lying excited states of even-even nuclei in a Sp(4,R) classification scheme

    CERN Document Server

    Drenska, S B; Minkov, N

    2002-01-01

    We implement a high order discrete derivative analysis of the low lying collective energies of even-even nuclei with respect to the total number of valence nucleon pairs N in the framework of F- spin multiplets appearing in a symplectic sp(4,R) classification scheme. We find that for the nuclei of any given F- multiplet the respective experimental energies exhibit a Delta N=2 staggering behavior and for the nuclei of two united neighboring F- multiplets well pronounced Delta N=1 staggering patterns are observed. Those effects have been reproduced successfully through a generalized sp(4,R) model energy expression and explained in terms of the step-like changes in collective modes within the F- multiplets and the alternation of the F-spin projection in the united neighboring multiplets. On this basis we suggest that the observed Delta N=2 and Delta N=1 staggering effects carry detailed information about the respective systematic manifestation of both high order alpha - particle like quartetting of nucleons and ...

  9. Hierarchy of the low-lying excitations for the (2+1-dimensional q=3 Potts model in the ordered phase

    Directory of Open Access Journals (Sweden)

    Yoshihiro Nishiyama

    2017-03-01

    Full Text Available The (2+1-dimensional q=3 Potts model was simulated with the exact diagonalization method. In the ordered phase, the elementary excitations (magnons are attractive, forming a series of bound states in the low-energy spectrum. We investigate the low-lying spectrum through a dynamical susceptibility, which is readily tractable with the exact diagonalization method via the continued-fraction expansion. As a result, we estimate the series of (scaled mass gaps, m2,3,4/m1 (m1: single-magnon mass, in proximity to the transition point.

  10. Nuclear structure of low-lying states in 60,62,64,66Zn — A shell model description

    Science.gov (United States)

    Rai, S.; Biswas, A.; Mukherjee, B.

    2016-11-01

    Shell model calculation has been performed for even-even 60,62,64,66Zn using NuShellX code in f5/2pg9/2 model space with two different effective Hamiltonians, viz. JUN45 and jj44b. The low-lying structure is studied up to angular momentum, I = 10ℏ by calculating level energies, reduced transition probabilities, occupation numbers, lifetimes, and quadrupole moments. The results of the calculations are compared with the available experimental data. It is observed that the inclusion of 1g9/2 orbital in the model space is essential to understand nuclear structure in these isotopes. Shell model calculation with an improved set of effective Hamiltonian parameters and inclusion of 1f7/2 orbital in the model space are necessary in order to produce finer agreement with the experimental observations.

  11. Three-dimensional angular momentum projected relativistic point-coupling approach for the low-lying excited states in $^{24}$Mg

    CERN Document Server

    Yao, J M; Arteaga, D Pena; Ring, P; 10.1088/0256-307X/25/10/024

    2008-01-01

    A full three-dimensional angular momentum projection on top of a triaxial relativistic mean-Geld calculation is implemented for the first time. The underlying Lagrangian is a point coupling model and pairing correlations are taken into account by a monopole force. This method is applied for the low-lying excited states in 24Mg. Good agreement with the experimental data is found for the ground state properties. A minimum in the potential energy surface for the 2+ state, with beta = 0.55, gamma = 10 deg, is used as the basis to investigate the rotational energy spectrum as well as the corresponding B(E2) transition probabilities as compared to the available data.

  12. Low lying excited states of $^{24}$O investigated by self-consistent microscopic description of proton inelastic scattering

    CERN Document Server

    Mizuyama, Kazuhito

    2013-01-01

    The proton inelastic scattering of $^{24}$O($p,p'$) at 62 MeV/nucleon is described by a self-consistent microscopic calculation with the continuum particle-vibration coupling (cPVC) method. The SLy5, SkM*, and SGII parameters are adopted as an effective nucleon-nucleon interaction. For all the parameters, the cPVC calculation reproduces very well the first peak at 4.65 MeV in the $^{24}$O excitation energy spectrum as well as its angular distribution. The role of the cPVC self-energy strongly depends on the effective interactions. The higher-lying strength around 7.3 MeV is suggested to be a superposition of the $3^-$ and $4^+$ states by the results with SLy5 and SGII, whereas the SkM* calculation indicates it is a pure $3^-$ state. This difference gives a rather strong interaction dependence of the angular distribution corresponding to the higher-lying strength.

  13. Progress in the Rotational Analysis of the Ground and Low-Lying Vibrationally Excited States of Malonaldehyde

    Science.gov (United States)

    Goudreau, E. S.; Tokaryk, Dennis W.; Ross, Stephen Cary; Billinghurst, Brant E.

    2016-06-01

    Despite being an important prototype molecule for intramolecular proton tunnelling, the far-IR spectrum of the internally hydrogen-bonded species malonaldehyde (C_3O_2H_4) is not yet well understood. In the talk I gave at the ISMS meeting in 2015 I discussed the high-resolution spectra we obtained at the Canadian Light Source synchrotron in Saskatoon, Saskatchewan. These spectra include a number of fundamental vibrational bands in the 100-2000 cm-1 region. In our efforts to analyze these bands we have noticed that our ground state combination differences show a large drift (up to an order of magnitude larger than our experimental error) away from those calculated using constants established by Baba et al., particularly in regions of high J (above 30) and low Ka (below 5). An examination of the previous microwave and far-IR studies reveals that this region of J-Ka space was not represented in the lines that Baba et al. used to generate the values for their fitting parameters. By including our own measurements in the fitting, we were able to improve the characterization of the ground state so that it is now consistent with all of the existing data. This characterization now covers a much larger range of J-Ka space and has enabled us to make significant progress in analyzing our far-IR synchrotron spectra. These include an excited vibrational state at 241 cm-1 as well as several states split by the tunnelling effect at higher wavenumber. T. Baba, T. Tanaka, I. Morino, K. M. T. Yamada, K. Tanaka. Detection of the tunneling-rotation transitions of malonaldehyde in the submillimeter-wave region. J. Chem. Phys., 110. 4131-4133 (1999) P. Turner, S. L. Baughcum, S. L. Coy, Z. Smith. Microwave Spectroscopic Study of Malonaldehyde. 4. Vibration-Rotation Interaction in Parent Species. J. Am. Chem. Soc., 106. 2265-2267 (1984) D. W. Firth, K. Beyer, M. A. Dvorak, S. W. Reeve, A. Grushow, K. R. Leopold. Tunable far-infrared spectroscopy of malonaldehyde. J. Chem. Phys., 94. 1812

  14. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: potential energy curves of low lying C2 singlet states

    CERN Document Server

    Purwanto, Wirawan; Krakauer, Henry

    2009-01-01

    We show that the recently developed phaseless auxiliary-field quantum Monte Carlo (AFQMC) method can be used to study excited states, providing an alternative to standard quantum chemistry methods. The phaseless AFQMC approach, whose computational cost scales as M^3-M^4 with system size M, has been shown to be among the most accurate many-body methods in ground state calculations. For excited states, prevention of collapse into the ground state and control of the Fermion sign/phase problem are accomplished by the approximate phaseless constraint with a trial wave function. Using the challenging C2 molecule as a test case, we calculate the potential energy curves of the ground and two low-lying singlet excited states. The trial wave function is obtained by truncating complete active space wave functions, with no further optimization. The phaseless AFQMC results using a small basis set are in good agreement with exact full configuration interaction calculations, while those using large basis sets are in good ag...

  15. Theoretical investigation of the ground and low-lying excited states of nickel carbide, NiC.

    Science.gov (United States)

    Tzeli, Demeter; Mavridis, Aristides

    2007-05-21

    The electronic structure and bonding of 19 states of the diatomic nickel carbide (NiC) has been studied by multireference methods. Potential energy curves have been constructed for all states, whereas for the three lowest states of symmetries X (1)Sigma(+), a (3)Pi, and A (1)Pi well separated from the rest of the states, special attention was paid through the use of very large basis sets and the calculation of core-valence correlation and scalar relativistic effects. The recommended binding energies for these states are 91, 67, and 54 kcal/mol with respect to the ground state atoms. Our results in general can be considered in fair agreement with the limited experimental findings.

  16. Multireference configuration interaction potential curve and analytical potential energy function of the ground and low-lying excited states of CdSe

    Institute of Scientific and Technical Information of China (English)

    Gao Feng; Yang Chuan-Lu; Hu Zhen-Yan; Wang Mei-Shan

    2007-01-01

    The potential energy curves (PECs) of the ground state (3Π) and three low-lying excited states (1∑, 3∑,1Π) of CdSe dimer have been studied by emploging quasirelativistic effective core potentials on the basis of the complete active space self-consistent field method followed by multireference configuration interaction calculation. The four PECs are fitted to analytical potential energy functions using the Murrel-Sorbie potential function. Based on the PECs,the vibrational levels of the four states are determined by solving the Schr(o)dinger equation of nuclear motion, and corresponding spectroscopic contants are accurately calculated. The equilibrium positions as well as the spectroscopic constants and the vibrational levels are reported. By our analysis, the 3Π state, of which the dissociation asymptote is Cd(1S) + Se(3p), is identified as a ground state of CdSe dimer, and the corresponding dissociation energy is estimated to be 0.39eV. However, the first excited state is only 1132.49cm-1 above the ground state and the 3∑ state is the highest in the four calculated states.

  17. Effects of low-lying excitations on ground-state energy and energy gap of the Sherrington-Kirkpatrick model in a transverse field

    Science.gov (United States)

    Koh, Yang Wei

    2016-04-01

    We present an extensive numerical study of the Sherrington-Kirkpatrick model in a transverse field. Recent numerical studies of quantum spin glasses have focused on exact diagonalization of the full Hamiltonian for small systems (≈20 spins). However, such exact numerical treatments are difficult to apply on larger systems. We propose making an approximation by using only a subspace of the full Hilbert space spanned by low-lying excitations consisting of one-spin-flipped and two-spin-flipped states. The approximation procedure is carried out within the theoretical framework of the Hartree-Fock approximation and configuration interaction. Although not exact, our approach allows us to study larger system sizes comparable to that achievable by state-of-the-art quantum Monte Carlo simulations. We calculate two quantities of interest due to recent advances in quantum annealing, the ground-state energy and the energy gap between the ground and first excited states. For the energy gap, we derive a formula that enables it to be calculated using just the ground-state wave function, thereby circumventing the need to diagonalize the Hamiltonian. We calculate the scalings of the energy gap and the leading correction to the extensive part of the ground-state energy with system size, which are difficult to obtain with current methods.

  18. Low-lying magnetic excitations and magnetocaloric effect of molecular magnet K6[V15As6O42(H2O)] · 8H2O

    Science.gov (United States)

    Fu, Zhendong; Xiao, Yinguo; Su, Yixi; Zheng, Yanzhen; Kögerler, Paul; Brückel, Thomas

    2015-10-01

    Low-temperature heat capacity measurements were performed on the molecular nanomagnet \\text{K}6[\\text{V}15\\text{As}6\\text{O}42(\\text{H}2\\text{O})] \\cdot8\\text{H}2{\\text{O}} (V15). The low-lying magnetic excitations are clearly evidenced by the Schottky anomalies in the specific-heat data. The energy levels determined from the low-temperature observables agree well with the three-spin model for V15. The magnetocaloric effect of V15 is examined. The maximum entropy change of 5.31 \\text{Jkg}-1\\text{K}-1 is found for a field change of Δ H =(8-0.5) \\text{T} at ˜1.5 \\text{K} . In spite of the low ground-state spin of V15, a drastic entropy change of 4.12 \\text{Jkg}-1\\text{K}-1 is observed for a field change of Δ H = (8-0.05) \\text{T} at 0.4 K, which is comparable to the entropy change of some high-spin sub-kelvin magnetic coolers at such low temperatures. Anisotropy and consequent zero-field splitting result in this characteristic of V15 and may open new possibilities in the design of ultra-low-temperature molecular coolers.

  19. Low-lying level structure of the neutron-rich nucleus {sup 109}Nb: A possible oblate-shape isomer

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, H., E-mail: hiroshi@ribf.riken.j [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Sumikama, T. [Department of Physics, Faculty of Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba (Japan); Nishimura, S. [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Yoshinaga, K. [Department of Physics, Faculty of Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba (Japan); Li, Z. [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Miyashita, Y. [Department of Physics, Faculty of Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba (Japan); Yamaguchi, K. [Department of Physics, Osaka University, Machikaneyama-machi 1-1, Osaka 560-0043 Toyonaka (Japan); Baba, H. [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Berryman, J.S. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Blasi, N. [INFN, Sezione di Milano, via Celoria 16, I-20133 Milano (Italy); Bracco, A.; Camera, F. [INFN, Sezione di Milano, via Celoria 16, I-20133 Milano (Italy); Dipartimento di Fisica, Universita di Milano, via Celoria 16, I-20133 Milano (Italy); Chiba, J. [Department of Physics, Faculty of Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba (Japan); Doornenbal, P. [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Go, S.; Hashimoto, T.; Hayakawa, S. [Center for Nuclear Study, University of Tokyo, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Hinke, C. [Physik Department, Technische Universitaet Muenchen, D-85748 Garching (Germany); Ideguchi, E. [Center for Nuclear Study, University of Tokyo, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Isobe, T. [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan)

    2011-01-31

    The neutron-rich nuclei {sup 109}Nb and {sup 109}Zr have been populated using in-flight fission of a {sup 238}U beam at 345 MeV/nucleon at the RIBF facility. A T{sub 1/2}=150(30) ns isomer at 313 keV has been identified in {sup 109}Nb for the first time. The low-lying levels in {sup 109}Nb have been also populated following the {beta}-decay of {sup 109}Zr. Based on the difference in feeding pattern between the isomeric and {beta} decays, the decay scheme from the isomeric state in {sup 109}Nb was established. The observed hindrances of the electromagnetic transitions deexciting the isomeric state are discussed in terms of possible shape coexistence. Potential energy surface calculations for single-proton configurations predict the presence of low-lying oblate-deformed states in {sup 109}Nb.

  20. Systematics of gamma decay through low-lying vibrational levels of even--even nuclei excited by (p,p') and (n,n') reactions

    Energy Technology Data Exchange (ETDEWEB)

    Koopman, R.P.

    1977-06-30

    A series of experiments was performed in which gamma-ray spectra were measured, using a Ge(Li) detector, for incident 7 to 26-MeV protons on the even-even vibrational nuclei /sup 56/Fe, /sup 62/Ni, /sup 64/Zn, /sup 108/Pd, /sup 110/Cd, /sup 114/Cd, /sup 116/Cd, /sup 116/Sn, /sup 120/Sn, and /sup 206/Pb, and for incident 14-MeV neutrons on natural Fe, Ni, Zn, Cd, Sn, and Pb. These measurements yielded gamma-ray cross sections from which it was inferred that almost all of the gamma cascades from (p,p') and (n,n') reactions passed down through the first 2/sup +/ levels. Consequently, the strength of the 2/sup +/ ..-->.. 0/sup +/ gamma transitions were found to be an indirect measure of the (p,p') or (n,n') cross sections. Several types of nuclear model calculations were performed and compared with experimental results. These calculations included coupled-channel calculations to reproduce the direct, collective excitation of the low-lying levels, and statistical plus pre-equilibrium model calculations to reproduce the (p,p') and the (n,n') cross sections for comparison with the 2/sup +/ ..-->.. 0/sup +/ gamma measurements. The agreement between calculation and experiment was generally good except at high energies, where pre-equilibrium processes dominate (i.e. around 26-MeV). Here discrepancies between calculations from the two different pre-equilibrium models and between the data and the calculations were found. Significant isospin mixing of T/sub greater than/ into T/sub less than/ states was necessary in order to have the calculations match the data for the (p,p') reactions, up to about 18-MeV.

  1. Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene.

    Science.gov (United States)

    Corchado, Jose C; Sánchez, M Luz; Fdez Galván, Ignacio; Martín, M Elena; Muñoz-Losa, Aurora; Barata-Morgado, Rute; Aguilar, Manuel A

    2014-10-30

    The ground and low-lying excited free energy surfaces of 4-amino-4'-cyano azobenzene, a molecule that has been proposed as building block for chiroptical switches, are studied in gas phase and a variety of solvents (benzene, chloroform, acetone, and water). Solvent effects on the absorption and emission spectra and on the cis-trans thermal and photo isomerizations are analyzed using two levels of calculation: TD-DFT and CASPT2/CASSCF. The solvent effects are introduced using a polarizable continuum model and a QM/MM method, which permits one to highlight the role played by specific interactions. We found that, in gas phase and in agreement with the results found for other azobenzenes, the thermal cis-trans isomerization follows a rotation-assisted inversion mechanism where the inversion angle must reach values close to 180° but where the rotation angle can take almost any value. On the contrary, in polar solvents the mechanism is controlled by the rotation of the CN═NC angle. The change in the mechanism is mainly related to a better solvation of the nitrogen atoms of the azo group in the rotational transition state. The photoisomerization follows a rotational pathway both in gas phase and in polar and nonpolar solvents. The solvent introduces only small modifications in the nπ* free energy surface (S1), but it has a larger effect on the ππ* surface (S2) that, in polar solvents, gets closer to S1. In fact, the S2 band of the absorption spectrum is red-shifted 0.27 eV for the trans isomer and 0.17 eV for the cis. In the emission spectrum the trend is similar: only S2 is appreciably affected by the solvent, but in this case a blue shift is found.

  2. Systematics of gamma decay through low-lying vibrational levels of even--even nuclei excited by (p,p') and (n,n') reactions

    Energy Technology Data Exchange (ETDEWEB)

    Koopman, R.P.

    1977-06-30

    A series of experiments was performed in which gamma-ray spectra were measured, using a Ge(Li) detector, for incident 7 to 26-MeV protons on the even-even vibrational nuclei /sup 56/Fe, /sup 62/Ni, /sup 64/Zn, /sup 108/Pd, /sup 110/Cd, /sup 114/Cd, /sup 116/Cd, /sup 116/Sn, /sup 120/Sn, and /sup 206/Pb, and for incident 14-MeV neutrons on natural Fe, Ni, Zn, Cd, Sn, and Pb. These measurements yielded gamma-ray cross sections from which it was inferred that almost all of the gamma cascades from (p,p') and (n,n') reactions passed down through the first 2/sup +/ levels. Consequently, the strength of the 2/sup +/ ..-->.. 0/sup +/ gamma transitions were found to be an indirect measure of the (p,p') or (n,n') cross sections. Several types of nuclear model calculations were performed and compared with experimental results. These calculations included coupled-channel calculations to reproduce the direct, collective excitation of the low-lying levels, and statistical plus pre-equilibrium model calculations to reproduce the (p,p') and the (n,n') cross sections for comparison with the 2/sup +/ ..-->.. 0/sup +/ gamma measurements. The agreement between calculation and experiment was generally good except at high energies, where pre-equilibrium processes dominate (i.e. around 26-MeV). Here discrepancies between calculations from the two different pre-equilibrium models and between the data and the calculations were found. Significant isospin mixing of T/sub greater than/ into T/sub less than/ states was necessary in order to have the calculations match the data for the (p,p') reactions, up to about 18-MeV.

  3. Valence bond study on excited states of molecules——Bonding features of the low-lying states of molecule B2

    Institute of Scientific and Technical Information of China (English)

    曹泽星; 吴玮; 张乾二

    1997-01-01

    Based on the correspondence of the molecular orbital theory and valence bond theory to the description of chemical bonds,the ah imtio valence bond (VB) calculations of the low-lying states of diatomic molecules arc realized.The calculation results for the low-lying states of B2 show that the VB calculation has clear-cut physical significance,and its simulation of the behavior of the potential energy surface about the equilibrium position is superior to that of the molecular orbital theory.The valence bond calculation involving only a few bonded tableaus can correctly re fleet the effect of electronic correlation.

  4. The nuclear structure and related properties of some low-lying isomers of free-space O_n clusters (n=6, 8, 12)

    CERN Document Server

    Forte, G; March, N H; Pucci, R

    2013-01-01

    After some introductory comments relating to antiferromagnetism of crystalline O_2, and brief remarks on the geometry of ozone, Hartree-Fock (HF) theory plus second-order Moller-Plesset (MP2) corrections are used to predict the nuclear structure of low-lying isomers of free-space O_n clusters, for n=6, 8, and 12. The equilibrium nuclear-nuclear potential energy is also discussed in relation to the number n of oxygen atoms in the cluster.

  5. Interplay between single-particle and collective degrees of freedom in the excitation of the low-lying quadrupole states in sup 142 Nd

    Energy Technology Data Exchange (ETDEWEB)

    Sandor, R.K.J.; Blok, H.P.; Harakeh, M.N. (Vrije Univ., Amsterdam (Netherlands). Natuurkundig Lab.); Garg, U. (Vrije Univ., Amsterdam (Netherlands). Natuurkundig Lab. Notre Dame Univ., IN (USA). Dept. of Physics); Jager, C.W. de; Vries, H. de (Nationaal Inst. voor Kernfysica en Hoge-Energiefysica (NIKHEF), Amsterdam (Netherlands). Sectie K); Ponomarev, V.Yu.; Vdovin, A.I. (Joint Inst. for Nuclear Research, Dubna (USSR). Lab. of Theoretical Physics)

    1989-12-21

    The low-lying quadrupole states in {sup 142}Nd were investigated by inelastic electron scattering. The momentum transfer range covered was 0.5-2.8 fm{sup -1}. The extracted transition charge densities indicate quite different characters for these states. On the basis of a quasiparticle-phonon nuclear model calculation this difference can be understood as arising from an interplay between collective and single-particle aspects. (orig.).

  6. The low lying glueball spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Adam Szczepaniak; Eric Swanson

    2003-12-18

    The complete low-lying positive charge conjugation glueball spectrum is obtained from QCD. The formalism relies on the construction of an efficient quasiparticle gluon basis for Hamiltonian QCD in Coulomb gauge. The resulting rapidly convergent Fock space expansion is exploited to derive quenched low-lying glueball masses with no free parameters which are in remarkable agreement with lattice gauge theory.

  7. Structure of a low-lying isomer of BOSi$_2$, as a free-space planar cluster, using the Hartree-Fock method plus second order perturbations

    CERN Document Server

    Forte, G; March, N H; Pucci, R

    2014-01-01

    The Hartree-Fock (HF) method, supplemented by low-order Moller-Plesset (MP2) perturbation theory, has been utilized to predict the nuclear geometry, assuming planarity, of a low-lying isomer of the free space cluster BOSi$_2$. The planar structure found at equilibrium geometry is shown to be stable against small amplitude molecular vibrations. Finally, some brief comments are made on the possible relevance of the above free-space cluster geometry to the known B-O defects which limit the improvement of minority carrier lifetime in a form of p-type silicon.

  8. Structure of a low-lying isomer of BOSi2, as a free-space planar cluster, using the Hartree-Fock method plus second order perturbations

    Science.gov (United States)

    Forte, G.; Angilella, G. G. N.; March, N. H.; Pucci, R.

    2014-07-01

    The Hartree-Fock (HF) method, supplemented by low-order Møller-Plesset (MP2) perturbation theory, has been utilized to predict the nuclear geometry, assuming planarity, of a low-lying isomer of the free space cluster BOSi2. The planar structure found at equilibrium geometry is shown to be stable against small amplitude molecular vibrations. Finally, some brief comments are made on the possible relevance of the above free-space cluster geometry to the known B-O defects which limit the improvement of minority carrier lifetime in a form of p-type silicon.

  9. The nuclear structure and related properties of some low-lying isomers of free-space O{sub n} clusters (n=6,8,12)

    Energy Technology Data Exchange (ETDEWEB)

    Forte, G. [Dipartimento di Scienze del Farmaco, Università di Catania, Viale A. Doria, 6, I-95126 Catania (Italy); Angilella, G.G.N., E-mail: giuseppe.angilella@ct.infn.it [Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia, 64, I-95123 Catania (Italy); Scuola Superiore di Catania, Università di Catania, Via Valdisavoia, 9, I-95123 Catania (Italy); CNISM, UdR Catania, Via S. Sofia, 64, I-95123 Catania (Italy); INFN, Sez. Catania, Via S. Sofia, 64, I-95123 Catania (Italy); March, N.H. [Department of Physics, University of Antwerp, Groenenborgerlaan, 171, B-2020 Antwerp (Belgium); Oxford University, Oxford (United Kingdom); Pucci, R. [Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia, 64, I-95123 Catania (Italy); CNISM, UdR Catania, Via S. Sofia, 64, I-95123 Catania (Italy)

    2013-04-01

    After some introductory comments relating to antiferromagnetism of crystalline O{sub 2}, and brief remarks on the geometry of ozone, Hartree–Fock (HF) theory plus second-order Møller–Plesset (MP2) corrections are used to predict the nuclear structure of low-lying isomers of free-space O{sub n} clusters, for n=6,8, and 12. The equilibrium nuclear–nuclear potential energy is also discussed in relation to the number n of oxygen atoms in the cluster.

  10. Efficient Symmetrized DMRG Algorithm for Low-lying Excited States of Conjugated Carbon Systems: Application to Coronene, Ovalene and 1,12-Benzoperylene

    CERN Document Server

    Prodhan, Suryoday; Ramasesha, S

    2016-01-01

    Symmetry adapted density matrix renormalization group (SDMRG) technique has been an efficient method for studying low-lying eigenstates in one- and quasi-one dimensional electronic systems. However, SDMRG method had bottlenecks involving construction of linearly independent symmetry adapted basis states as the symmetry matrices in the DMRG basis were not sparse. We have developed a modified algorithm to overcome this bottleneck. The new method incorporates end-to-end interchange symmetry ($C_2$), electron- hole symmetry (J) and parity symmetry (P ) in these calculations. The one-to-one correspondence between direct-product basis states in the DMRG Hilbert space for these symmetry operations renders the symmetry matrices in the new basis with maximum sparseness, just one non-zero matrix element per row. Using methods similar to those employed in exact diagonalization technique for Pariser-Parr-Pople (PPP) models, developed in the eighties, it is possible to construct orthogonal SDMRG basis states while bypassi...

  11. Vibrational Fingerprints of Low-Lying PtnP2n (n = 1–5) Cluster Structures from Global Optimization Based on Density Functional Theory Potential Energy Surfaces

    KAUST Repository

    Jedidi, Abdesslem

    2015-11-13

    Vibrational fingerprints of small PtnP2n (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 PtnP2n 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 PtnP2n structures.

  12. The low-lying excited states of neutral polyacenes and their radical cations: a quantum chemical study employing the algebraic diagrammatic construction scheme of second order

    OpenAIRE

    Knippenberg, Stefan; Starcke, Jan-Hendrik; Wormit, Michael; Dreuw, Andreas

    2010-01-01

    Abstract The vertical excited electronic states of linearly fused neutral polyacenes and their radical cations have been investigated using the algebraic diagrammatic construction scheme of sec- ond order (ADC(2)). While strict ADC(2) (ADC(2)-s) correctly reproduces trends for mainly singly excited states, in extended ADC(2) (ADC(2)-x) the description of doubly excited states is critically improved. It is shown that a combined application of strict and extended ADC(2) nicely reveal...

  13. On the low-lying states of TiC

    Science.gov (United States)

    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.

  14. On the low-lying states of TiC

    Science.gov (United States)

    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.

  15. Low-lying dipole resonance in neutron-rich Ne isotopes

    Science.gov (United States)

    Yoshida, Kenichi; van Giai, Nguyen

    2008-07-01

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

  16. Band structure and decay channels of thorium-229 low-lying isomeric state for ensemble of thorium atoms adsorbed on calcium fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Borisyuk, Petr V.; Vasilyev, Oleg S.; Krasavin, Andrey V.; Troyan, Victor I. [National Research Nuclear University ' ' MEPhI' ' (Moscow Engineering Physics Institute), Kashirskoye shosse 31, 115409 Moscow (Russian Federation); Lebedinskii, Yury Yu. [National Research Nuclear University ' ' MEPhI' ' (Moscow Engineering Physics Institute), Kashirskoye shosse 31, 115409 Moscow (Russian Federation); Moscow Institute of Physics and Technology (State University), Institutskiy per. 9, 141700 Dolgoprudny, Moscow region (Russian Federation); Tkalya, Eugene V. [Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, Leninskie gory, 119991 Moscow (Russian Federation); Nuclear Safety Institute of Russian Academy of Science, Bol' shaya Tulskaya 52, 115191 Moscow (Russian Federation)

    2015-12-15

    The results are presented on the study of the electronic structure of thorium atoms adsorbed by the liquid atomic layer deposition from aqueous solution of thorium nitrate on the surface of CaF{sub 2}. The chemical state of the atoms and the change of the band structure in the surface layers of Th/CaF{sub 2} system on CaF{sub 2} substrate were investigated by XPS and REELS techniques. It was found that REELS spectra for Th/CaF{sub 2} system include peaks in the region of low energy losses (3-7 eV) which are missing in the similar spectra for pure CaF{sub 2}. It is concluded that the presence of the observed features in the REELS spectra is associated with the chemical state of thorium atoms and is caused by the presence of uncompensated chemical bonds at the Th/CaF{sub 2} interface, and, therefore, by the presence of unbound 6d- and 7s-electrons of thorium atoms. Assuming the equivalence of the electronic configuration of thorium-229 and thorium-232 atoms, an estimate was made on the time decay of the excited state of thorium-229 nuclei through the channel of the electron conversion. It was found that the relaxation time is about 40 μs for 6d-electrons, and about 1 μs for 7s-electrons. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Low-Lying States of the A+B-A+B- Coulomb Systems in Two-Dimensional Quantum Dots

    Institute of Scientific and Technical Information of China (English)

    XIE Wen-Fang

    2001-01-01

    The features of the low-lying spectra of four-body A+B-A+B- systems have been deduced based on symmetry. Using the method of few-body physics, we calculate the energy spectra of A + B- A + B- systems in a harmonic quantum dot. We find that the biexciton in a two-dimensional quantum dot may have other bound excited states and the quantum mechanical symmetry plays a crucialrole in determining the energy levels and structures of the low-lying states.

  18. Low-lying T=0 states in the odd–odd N=Z nucleus {sup 62}Ga

    Energy Technology Data Exchange (ETDEWEB)

    David, H.M., E-mail: hdavid@anl.gov [University of Edinburgh, Edinburgh, EH9 3JZ (United Kingdom); Woods, P.J.; Lotay, G. [University of Edinburgh, Edinburgh, EH9 3JZ (United Kingdom); Seweryniak, D.; Albers, M.; Alcorta, M.; Carpenter, M.P. [Physics Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Chiara, C.J. [Physics Division, Argonne National Laboratory, Argonne, IL 60439 (United States); University of Maryland, College Park, MD 20742 (United States); Davinson, T.; Doherty, D.T. [University of Edinburgh, Edinburgh, EH9 3JZ (United Kingdom); Hoffman, C.R.; Janssens, R.V.F.; Lauritsen, T.; Rogers, A.M.; Zhu, S. [Physics Division, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2013-11-04

    New, low-lying levels in the odd–odd, N=Z nucleus {sup 62}Ga have been identified using a sensitive technique, where in-beam γ rays from short-lived nuclei are tagged with β decays following recoil mass identification. A comparison of the results with shell-model and IBM-4 calculations demonstrates good agreement between theory and experiment, with the majority of predicted low-lying, low-spin T=0 states now identified. There is a dramatic change in the level density at low excitation energies for the N=Z nucleus {sup 62}Ga when compared with neighbouring odd–odd Ga isotopes where, in contrast, the low-lying level structure is dominated by configurations with T=1 pairing interactions between excess neutrons. This illustrates the distinctively different aspects of nuclear structure exhibited by nuclei with N=Z.

  19. Low-lying isomeric levels in 75Cu

    Energy Technology Data Exchange (ETDEWEB)

    Daugas, J. M. [Grand Accelerateur National d' Ions Lourds (GANIL); Faul, T. [CEA, France; Grawe, H. [GSI-Hemholtzzentrum fur Schwerionenforschung, Darmstadt, Germany; Pfutzner, M. [University of Warsaw; Grzywacz, R. [University of Tennessee, Knoxville (UTK); Lewitowicz, M. [Grand Accelerateur National d' Ions Lourds (GANIL); Achouri, N. L. [CNRS/IN2P3, Caen, France; Angelique, J. C. [CNRS/IN2P3, Caen, France; Baiborodin, D. [Nuclear Physic Institute, Czech Republic; Bentida, R. [Universite de Lyon, France; Beraud, R. [Universite de Lyon, France; Borcea, C. [IFIN, Bucharest-Magurele, Romania; Bingham, C. R. [University of Tennessee, Knoxville (UTK); Catford, W. [University of Surrey, UK; Emsallem, A. [Universite de Lyon, France; De France, G. [Grand Accelerateur National d' Ions Lourds (GANIL); Grzywacz, K. L. [University of Tennessee, Knoxville (UTK); Lemmon, R. [Daresbury Laboratory, UK; Lopez Jimenez, M. J. [Grand Accelerateur National d' Ions Lourds (GANIL); de Oliveira Santos, F. [Grand Accelerateur National d' Ions Lourds (GANIL); Regan, P. H. [University of Surrey, UK; Rykaczewski, Krzysztof Piotr [ORNL; Sauvestre, J. E. [CEA, France; Sawicka, M. [University of Warsaw; Stanoiu, M. [Grand Accelerateur National d' Ions Lourds (GANIL); Sieja, K. [Technische Universitat Darmstadt, Germany; Nowacki, F. [Institut Pluridisciplinaire Hubert Curien, Strasbourg, France

    2010-01-01

    Isomeric low-lying states were identified and investigated in the 75Cu nucleus. Two states at 61.8(5)- and 128.3(7)-keV excitation energies with half-lives of 370(40)- and 170(15)-ns were assigned as 75m1Cu and 75m2Cu, respectively. The measured half-lives combined with the recent spin assignment of the ground state allow one to deduce tentatively spin and parity of the two isomers and the dominant multipolarities of the isomeric transitions with respect to the systematics of the Cu isotopes. Shell-model calculations using an up-to-date effective interaction reproduce the evolution of the 1/2 , 3/2 , and 5/2 states for the neutron-rich odd-mass Cu isotopes when filling the g9/2. The results indicate a significant change in the nuclear structure in this region, where a single-particle 5/2 state coexists with more and more collective 3/2 and 1/2 levels at low excitation energies.

  20. Low-lying quadrupole collectivity in {sup 136}Xe

    Energy Technology Data Exchange (ETDEWEB)

    Stahl, Christian; Leske, Joerg; Pietralla, Norbert; Reese, Michael [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); Bazzacco, Dino; Farnea, Enrico [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, Padova (Italy); Gadea, Andres [Instituto de Fisica Corpuscular, CSIC-Universitat de Valencia, Valencia (Spain); Gottardo, Andrea [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro, Legnaro (Italy); Dipartimento di Fisica e Astronomia dell' Universita degli Studi di Padova, Padova (Italy); John, Philipp Rudolf; Michelagnoli, Caterina [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, Padova (Italy); Dipartimento di Fisica e Astronomia dell' Universita degli Studi di Padova, Padova (Italy); Valiente-Dobon, Jose Javier [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro, Legnaro (Italy)

    2015-07-01

    We present recent results from our investigation of low-lying quadrupole collectivity in the semi-magic N=82 nucleus {sup 136}Xe. An experiment was performed at the Legnaro National Laboratory employing the AGATA demonstrator. Level-lifetimes and B(E2, 0{sup +}{sub 1}→2{sup +}{sub i})-values were determined from Coulomb excitation and by the continuous-angle DSA method exploiting AGATA's position resolution. 2{sup +}{sub i} - states up to i=7 were excited and analyzed.

  1. 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.

    Science.gov (United States)

    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.

  2. Band structure and decay channels of thorium-229 low-lying isomeric state for ensemble of thorium atoms adsorbed on calcium fluoride

    OpenAIRE

    Borisyuk, P. V.; Vasilyev, O S; Krasavin, A.V.; Lebedinskii, Yu Yu; V. I. Troyan; Tkalya, E. V.

    2015-01-01

    The results are presented on the study of the electronic structure of thorium atoms adsorbed by the liquid atomic layer deposition from aqueous solution of thorium nitrate on the surface of CaF2. The chemical state of the atoms and the change of the band structure in the surface layers of Th/CaF2 system on CaF2 substrate were investigated by XPS and REELS techniques. It was found that REELS spectra for Th/CaF2 system include peaks in the region of low energy losses (3-7 eV) which are missing ...

  3. Ozone absorption spectroscopy in search of low-lying electronic states

    Science.gov (United States)

    Anderson, S. M.; Mauersberger, K.

    1995-01-01

    A spectrometer capable of detecting ozone absorption features 9 orders of magnitude weaker than the Hartley band has been employed to investigate the molecule's near-infrared absorption spectrum. At this sensitivity a wealth of information on the low-lying electronically excited states often believed to play a role in atmospheric chemistry is available in the form of vibrational and rotational structure. We have analyzed these spectra using a combination of digital filtering and isotope substitution and find evidence for three electronically excited states below 1.5 eV. The lowest of these states is metastable, bound by approximately 0.1 eV and probably the (3)A2 rather than the (3)B2 state. Its adiabatic electronic energy is 1.24 +/- 0.01 eV, slightly above the dissociation energy of the ground state. Two higher states, at 1.29 +/- 0.03 and 1.48 +/- 0.03 eV are identified as the (3)B2 and the (3)B1, respectively. Combined with other recent theoretical and experimental data on the low-lying electronic states of ozone, these results imply that these are, in fact, the lowest three excited states; that is, there are no electronically excited states of ozone lying below the energy of O(3P) + O2((3)Sigma(-), v = 0). Some of the implications for atmospheric chemistry are considered.

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

    Energy Technology Data Exchange (ETDEWEB)

    Xantheas, Sotiris S.

    2012-08-01

    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 to 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.

  5. Low-lying dipole strengths of {sup 50}Cr

    Energy Technology Data Exchange (ETDEWEB)

    Pai, H.; Beck, T.; Beller, J.; Gayer, U.; Mertes, L.; Pietralla, N.; Ries, P.; Romig, C.; Werner, V.; Zweidinger, M. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany)

    2015-07-01

    Low-lying electric and magnetic dipole strengths (E1 and M1, respectively), particularly Pygmy Dipole Resonance (PDR) and Spin-flip M1 excitations, of atomic nuclei have drawn considerable attention in the last decade. The low-lying dipole strengths of {sup 50}Cr were studied with the method of nuclear resonance fluorescence up to 9.7 MeV, using bremsstrahlung provided by the superconducting Darmstadt electron linear accelerator S-DALINAC. Twenty-four spin-1 states were observed between 3.0 and 9.7 MeV excitation energy, 17 of those for the first time. The excited states' parities are determined through polarized photon scattering at the High Intensity gamma ray Source (HIγS), Triangle Universities Nuclear Laboratory (TUNL) in Durham, NC, USA. Microscopic calculations within the quasiparticle-phonon nuclear model are performed to interpret the dipole strength distribution of {sup 50}Cr. The experimental results of {sup 50}Cr are compared to data on its closed-shell N=28 isotone {sup 52}Cr and may provide information on the onset of the PDR in atomic nuclei.

  6. Low-Lying Resonance States of Slow Electron Collisions With Atomic Oxygen

    Institute of Scientific and Technical Information of China (English)

    吴建华; 袁建民

    2003-01-01

    A 39-target state close-coupling calculation of low-energy electron scattering from atomic oxygen is carried out with core-valence electron correlation by using R-matrix method. It is shown that the elastic cross section has a huge and sharp increase with the electron energy going down below 1eV. This remarkable structure is attributed to a few very low-lying potential resonances and the features of these resonances are given with partial cross sections. It is also shown that after considering excitations of two electrons from 2s shell, the three lowest atomic energy levels are in agreement with experimental results better than that just considering excitations of two electrons from the 2p shell as well as only one electron from the 2s shell. Elastic and two excitation (3P → 1 D and 3p → 1S) cross sections are given and compared with the other theoretical and experimental results.

  7. Theoretical Study of the Low-Lying States of MgN+2

    Science.gov (United States)

    Maitre, Philippe; Bauschlicher, Charles W., Jr.; Gross, Anthony R. (Technical Monitor)

    1994-01-01

    The structure and binding energies of the low-lying states of MgN2+ have been computed at the multireference configuration interaction level of theory. The effect of Mg inner-shell correlation have been included using the core-polarization potential method. The charge-quadrupole interaction results in a linear 2Sigma+ ground state as expected. The excited states can arise from either the interaction of the 2-P state of Mg+ with N2 or from charge transfer states with Mg(sup 2+)N2- bonding character. The lowest lying excited state, 2-B2, is mixture of these two mechanisms, which results in a C2v, geometry with Mg atoms sitting at the N2 bond midpoint. The small barrier in the bending potential exists between this state and the 2-II State which is the lowest lying linear excited state.

  8. Microscopic Description of Low-Lying Isovector Quadrupole States in /sup 56/Fe

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaeva, R.; Stoyanov, C.; Vdovin, A.I.

    1989-01-01

    Microscopic calculations of energies, structure and transition probabilities of low-lying 2/sup +/ states in /sup 56/Fe have been performed in the framework of the quasi-particle phonon nuclear model. The interaction of the phonons appears to play an important role in determination of the isotopic character of low-lying quadrupole states.

  9. Significant contribution of As 4 p orbitals to the low-lying electronic structure of the 112-type iron-based superconductor Ca 0.9La 0.1FeAs 2

    Science.gov (United States)

    Li, M. Y.; Liu, Z. T.; Zhou, W.; Yang, H. F.; Shen, D. W.; Li, W.; Jiang, J.; Niu, X. H.; Xie, B. P.; Sun, Y.; Fan, C. C.; Yao, Q.; Liu, J. S.; Shi, Z. X.; Xie, X. M.

    2015-01-01

    We report a systematic polarization-dependent angle-resolved photoemission spectroscopy study of the three-dimensional electronic structure of the recently discovered 112-type iron-based superconductor Ca1 -xLaxFeAs2 (x =0.1 ). Besides the commonly reported three holelike and two electronlike bands in iron-based superconductors, we resolve one additional holelike band around the zone center and one more fast-dispersing band near the X point in the vicinity of the Fermi level. By tuning the polarization and the energy of incident photons, we are able to identify the specific orbital character and the kz dependence of all bands. Combining these results with band calculations, we find that As 4 pz and 4 px(4 py) orbitals contribute significantly to the additional three-dimensional holelike band and the narrow band, respectively. Also, there is considerable hybridization between the As 4 pz and Fe 3 d orbitals in the additional holelike band, which suggests strong coupling between the unique arsenic zigzag bond layers and the FeAs layers therein. Our findings provide a comprehensive picture of the orbital character of the low-lying band structure of 112-type iron-based superconductors, which can be a starting point for the further understanding of their unconventional superconductivity.

  10. Microscopic study of low-lying collectivebands in 77Kr

    Indian Academy of Sciences (India)

    K C Tripathy; R Sahu; S Mishra

    2006-02-01

    The structure of the collective bands in 77Kr is investigated within our deformed shell model (DSM) based on Hartree-Fock states. The different levels are classified into collective bands on the basis of their (2) values. The calculated = 5/2+ ground band agrees reasonably well with the experiment. An attempt has been made to study the structure of the 3-quasiparticle band based on large state in this nucleus. The calculated collective bands, the (2), and (1) values are compared with available experimental data. The nature of alignments in the low-lying bands is also analyzed.

  11. Excitation Methods for Bridge Structures

    Energy Technology Data Exchange (ETDEWEB)

    Farrar, C.R.; Duffy, T.A.; Cornwell, P.J.; Doebling, S.W.

    1999-02-08

    This paper summarizes the various methods that have been used to excited bridge structures during dynamic testing. The excitation methods fall into the general categories of ambient excitation methods and measured-input excitation methods. During ambient excitation the input to the bridge is not directly measured. In contrast, as the category label implies, measured-input excitations are usually applied at a single location where the force input to the structure can be monitored. Issues associated with using these various types of measurements are discussed along with a general description of the various excitation methods.

  12. On the low lying singlet states of BeO

    Science.gov (United States)

    Bauschlicher, C. W., Jr.; Lengsfield, B. H.; Yarkony, D. R.

    1980-01-01

    Calculations of the ground and low-lying singlet states of BeO are performed in order to gain an understanding of the techniques needed to treat the excited states of other, more complex, ionic molecules. The MCSCF and CI calculations are based on a Gaussian basis set of slightly better than double zeta plus polarization quality for single configuration descriptions of the states. The calculated X-A and X-B state separations are found to be in agreement with experimental measurements. The 1 Sigma - and 1 Delta states are predicted to lie approximately 40,000 kaysers above the ground state and are identified as the C and D states.The 2 1 Pi state is found to be approximately 15,000 kaysers and the 3 1 Sigma + state is found to be approximately 65,000 kaysers above the ground state.

  13. Instanton contributions to the low-lying hadron mass spectrum

    CERN Document Server

    Thomas, Samuel D; Leinweber, Derek B

    2014-01-01

    The role of instanton-like objects in the QCD vacuum on the mass spectrum of low-lying light hadrons is explored in lattice QCD. Using over-improved stout-link smearing, tuned to preserve instanton-like objects in the QCD vacuum, the evolution of the mass spectrum under smearing is examined. The calculation is performed using a $20^3\\times40$ dynamical fat-link-irrelevant-clover (FLIC) fermion action ensemble with lattice spacing 0.126 fm. Through the consideration of a range of pion masses, the effect of the vacuum instanton content is compared at a common pion mass. While the qualitative features of ground-state hadrons are preserved on instanton-dominated configurations, the excitation spectrum experiences significant changes. The underlying physics revealed shows little similarity to the direct-instanton interaction predictions of the instanton liquid model.

  14. Low-lying states in 8B

    CERN Document Server

    Mitchell, J P; Johnson, E D; Baby, L T; Kemper, K W; Moro, A M; Peplowski, P N; Volya, A; Wiedenhoever, I

    2010-01-01

    Excitation functions of elastic and inelastic 7Be+p scattering were measured in the energy range between 1.6 and 2.8 MeV in the c.m. An R-matrix analysis of the excitation functions provides strong evidence for new positive parity states in 8B. A new 2+ state at an excitation energy of 2.55 MeV was observed and a new 0+ state at 1.9 MeV is tentatively suggested. The R-matrix and Time Dependent Continuum Shell Model were used in the analysis of the excitation functions. The new results are compared to the calculations of contemporary theoretical models.

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

    Science.gov (United States)

    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.

  16. RDDS lifetime measurements of low-lying superdeformed states in {sup 194}Hg

    Energy Technology Data Exchange (ETDEWEB)

    Kuehn, R.; Dewald, A.; Kruecken, R. [Universitaet Koeln (Germany)] [and others

    1996-12-31

    The lifetimes of three low-lying states in the superdeformed (SD) yrast band of {sup 194}Hg were measured by the recoil-distance Doppler-shift method. The deduced transition quadrupole moments, Q{sub t}, equal those extracted from a DSAM measurement for the high-lying states of the band corroborate the assumption that the decay out of SD bands does not strongly affect the structure of the corresponding states. By a simple mixing-model the decay can be described assuming a very small admixture of normal-deformed (ND) states to the decaying SD states. The deduced ND mixing amplitudes for the yrast SD bands in {sup 192,194}Hg and {sup 194}Pb are presented along with average transition quadrupole moments for the lower parts of the excited SD bands.

  17. Energies of low-lying excited states of linear polyenes.

    Science.gov (United States)

    Christensen, Ronald L; Galinato, Mary Grace I; Chu, Emily F; Howard, Jason N; Broene, Richard D; Frank, Harry A

    2008-12-11

    Room temperature absorption and emission spectra of the all-trans isomers of decatetraene, dodecapentaene, tetradecahexaene, and hexadecaheptaene have been obtained in a series of nonpolar solvents. The resolved vibronic features in the optical spectra of these model systems allow the accurate determination of S(0) (1(1)A(g)(-)) --> S(2) (1(1)B(u)(+)) and S(1) (2(1)A(g)(-)) --> S(0) (1(1)A(g)(-)) electronic origins as a function of solvent polarizability. These data can be extrapolated to predict the transition energies in the absence of solvent perturbations. The effects of the terminal methyl substituents on the transition energies also can be estimated. Franck-Condon maxima in the absorption and emission spectra were used to estimate differences between S(0) (1(1)A(g)(-)) --> S(1) (2(1)A(g)(-)) and S(0) (1(1)A(g)(-)) --> S(2) (1(1)B(u)(+)) electronic origins and "vertical" transition energies. Experimental estimates of the vertical transition energies of unsubstituted, all-trans polyenes in vacuum as a function of conjugation length are compared with long-standing multireference configuration interaction (MRCI) treatments and with more recent ab initio calculations of the energies of the 2(1)A(g)(-) (S(1)) and 1(1)B(u)(+) (S(2)) states.

  18. Simultaneous description of low-lying positive and negative parity states in spd, sdf and spdf interacting boson model

    Science.gov (United States)

    Jafarizadeh, M. A.; Majarshin, A. Jalili; Fouladi, N.

    2016-11-01

    In order to investigate negative parity states, it is necessary to consider negative parity-bosons additionally to the usual s- and d-bosons. The dipole and octupole degrees of freedom are essential to describe the observed low-lying collective states with negative parity. An extended interacting boson model (IBM) that describes pairing interactions among s, p, d and f-boson based on affine SU(1, 1) Lie algebra in the quantum phase transition (QPT) field, such as spd-IBM, sdf-IBM and spdf-IBM, is composed based on algebraic structure. In this paper, a solvable extended transitional Hamiltonian based on affine SU(1, 1) Lie algebra is proposed to describe low-lying positive and negative parity states between the spherical and deformed gamma-unstable shape. Three model of new algebraic solution for even-even nuclei are introduced. Numerical extraction to low-lying energy levels and transition rates within the control parameters of this evaluated Hamiltonian are presented for various N values. We reproduced the positive and negative parity states and our calculations suggest that the results of spdf-IBM are better than spd-IBM and sdf-IBM in this literature. By reproducing the experimental results, the method based on signature of the phase transition such as level crossing in the lowest excited states is used to provide a better description of Ru isotopes in this transitional region.

  19. Low-lying magnetic loops in the solar internetwork

    CERN Document Server

    Gonzalez, M J Martinez; Collados, M; Solanki, S K

    2007-01-01

    The aim of this work is to study the structure of the magnetic field vector in the internetwork and search for the presence of small-scale loops. We invert 1.56 micron spectropolarimetric observations of internetwork regions at disc centre by applying the SIR code. This allows us to recover the atmospheric parameters that play a role in the formation of these spectral lines. We are mainly interested in the structure of the magnetic field vector. We find that many opposite polarity elements of the internetwork are connected by short (2-6''), low-lying (photospheric) loops. These loops connect at least the 10-20 % of the internetwork flux visible in our data. Also we have some evidence that points towards a dynamic scenario which can be produced by the emergence of internetwork magnetic flux.

  20. On the low-lying states of CuO

    Science.gov (United States)

    Bagus, P. S.; Nelin, C. J.; Bauschlicher, C. W., Jr.

    1984-01-01

    Self consistent field and correlated wave functions have been computed for the ground and for several low-lying states of CuO. The ground state is X(2)PI and the lowest excited state, at approximately 8,000/cm above X(2)PI, is a previously unidentified 2-sigma(+) state. The separation of these states is compared to that for the similar states of KO and is analysed in terms of integrals between orbitals of the separated free ions. A classification of the states of the molecule based on states of Cu(+) and O(-) which leads to a division into manifolds of states arising from Cu(+) 3d(10) and Cu(+) 3d(9) 4s(1) is considered. It is predicted that the state of the 3d(9) 4s(1) manifold are 10,000 to 30,000/cm above the ground state and assign the observed A2-sigma(+) state at 16,500/cm to this manifold.

  1. Characterization of the low-lying 0$^{+}$ and 2$^{+}$ states of $^{68}$ Ni

    CERN Multimedia

    Recently, a number of low-lying low-spin states have been firmly identified in $^{68}$Ni; the position of the first excited state (which is a 0$^{+}$ state), the spin and parity of the second excited 0$^{+}$ state and the spin and parity of the second and third 2$^+$ states have been fixed. The identification of these three pairs of 0$^+$ and 2$^+$ states in $^{68}$Ni (Z=28 and N=40) forms ideal tests to validate shell-model calculations and the effective interactions developed for the nickel region but also hints to triple shape coexistence including even strongly deformed structures. The aim of this proposal is to collect detailed spectroscopic data of the low-spin states of $^{68}$Ni (Z=28, N=40) in order to characterize these triple pairs of 0$^+$ and 2$^+$ states. $\\gamma$-branching ratios of the 0$^+$ and 2$^+$ states and the E0 transition strengths as well as the E2 transition rate of the 0$_3^+$ will be obtained using the new ISOLDE decay station that is constructed from an efficient array of germaniu...

  2. The Low-Lying Electronic States of Mg2(+)

    Science.gov (United States)

    Ricca, Alessandra; Bauschlicher, Charles W., Jr.

    1994-01-01

    The low-lying doublet and quartet states of Mg+ have been studied using a multireference configuration interaction approach. The effect of inner-shell correlation has been included using the core-polarization potential method. The computed spectroscopic constants, lifetimes, and oscillator strengths should help resolve the difference between the recent experiments and previous theoretical calculations.

  3. The use of the GSAM approach for the structural investigation of low-lying isomers of molecular clusters from density-functional-theory-based potential energy surfaces: the structures of microhydrated nucleic acid bases.

    Science.gov (United States)

    Thicoipe, Sandrine; Carbonniere, Philippe; Pouchan, Claude

    2013-08-15

    This study presents structural properties of microhydrated nucleic acid bases (NABs) - uracil (U), thymine (T), guanine (G), adenine (A), and cytosine (C) - investigated by theoretical computations at the B3LYP level of theory. To obtain the different representations of these microhydrated species, we applied the GSAM procedure: the most stable conformers labeled X,nH2O (X = U, T, G, A and n = 1...5) for which the Boltzmann population is higher than 2% at 298K are calculated at the B3LYP and B3LYP-D levels of theory. At the B3LYP level, our calculated geometries are compared with those obtained in the literature. New physically relevant isomers are found with the GSAM algorithm, especially for the tetra- and pentahydrated species. The use of DFT-D functional does not strongly modify the relative energies of the isomers for the monohydrated species. When the number of water molecules increases, the results become extremely sensitive to the consideration of dispersion contributions.

  4. Energy and radius of low-lying levels sub 4 sup 8 Be nucleus in the orthogonal scheme K sub m in+2 approximation

    CERN Document Server

    Vaupsas, J; Jankauskas, G; Petrauskas, A; Jankauskas, K

    2002-01-01

    The binding energy, the energies, and radii of low-lying levels of positive parity of 4 sup 8 Be are calculated within the multiquantum approximation of the orthogonal scheme by taking into account all the states labeled by the Young scheme lambda = [44] and quantum numbers K sub m in, K sub m in + 2 of group O(3(A - 1)) and their rho-excitations. The convergence of results, obtained with the gradual extension of basis, and the structure of wave functions are studied. The results of calculations are compared with the results of a similar multiquantum approximation of the unitary scheme. (author)

  5. A theoretical study of the low-lying states of Ti2 and Zr2

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Partridge, Harry; Langhoff, Stephen R.; Rosi, Marzio

    1991-01-01

    The low-lying states of Ti2 and the valence isoelectronic Zr2 are examined theoretically by means of a multireference configuration-interaction (MRCI) method. MRCI calculations demonstrate that two of the Zr2 states are very low-lying and that the resulting vertical excitation is consistent with the optical spectrum of Zr2. The ground state is predicted for Ti2 on the basis of valence correlation with the MRCI method and the average coupled-pair functional technique. Calculations of the inner-shell correlation effects are estimated and found to lower the 3Delta g state to a ground state, and another to a very low-lying state. The ground state of Ti2 is assigned to 3Delta g since it is lower than the other state at all levels of correlation and is derived from the same atomic asymptote. This conclusion is supported by the lack of an electron-spin resonance signal but contradicts the absence of subcomponents on the Raman spectral lines.

  6. Accelerating structure with linear excitation

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, J.; Srinivasan-Rao, T.

    1988-03-01

    The switched power linac (SPL) structures require a ring-shaped laser beam pulse of uniform intensity to avoid transverse field components of the accelerating field at the center. In order to also utilize the reflection of the outgoing EM wave, the switching element has to be very close to the outer edge of the structure to ensure nearly synchronous superposition at the beam hole with the original inward going wave. It is sometimes easier to produce linear (flat) laser beams, e.g., from powerful excimer lasers which have beams of rectangular cross section. Such flat beams could be used to excite linear photocathode switches or be used to produce flat electron beam pulses in electron sources. In this paper, an accelerator structure is proposed which may be considered a variant of the SPL disk structure, but could be used with linear beams. The structure utilizes a double parabolic horn. 8 refs., 9 figs.

  7. Effective Hamiltonian and low-lying eigenenergy clustering patterns of four-sublattice antiferromagnets

    DEFF Research Database (Denmark)

    Zhang, N.G.; Henley, C.L.; Rischel, C.;

    2002-01-01

    We study the low-lying eigenenergy clustering patterns of quantum antiferromagnets with p sublattices (in particular p = 4). We treat each sublattice as a large spin, and using second-order degenerate perturbation theory, we derive the effective (biquadratic) Hamiltonian coupling the p large spins....... In order to compare with exact diagonalizations, the Hamiltonian is explicitly written for a finite-size lattice, and it contains information on energies of excited states as well as the ground state. The result is applied to the face-centered-cubic Type-I antiferromagnet of spin 1/2, including second...

  8. Doppler-shift attenuation method lifetime measurements of low-lying states in {sup 111}In

    Energy Technology Data Exchange (ETDEWEB)

    Bucurescu, D.; Cata-Danil, I.; Ilas, G.; Ivascu, M.; Marginean, N.; Stroe, L.; Ur, C.A. [Institute of Atomic Physics, P.O. Box MG-6, Bucharest 76900 (Romania)

    1996-11-01

    The lifetimes of nine low-lying excited states in {sup 111}In have been measured with the Doppler-shift attenuation method in the {sup 111}Cd({ital p},{ital n}{gamma}) reaction. A comparison of experimental quantities with predictions based on the interacting boson-fermion model unravels the states due to the coupling of a {ital g}{sub 9/2} proton hole to the quadrupole vibrations of the core. {copyright} {ital 1996 The American Physical Society.}

  9. Spectroscopic Study of Low-Lying 16N Levels

    Energy Technology Data Exchange (ETDEWEB)

    Bardayan, Daniel W [ORNL; O' Malley, Patrick [Rutgers University; Blackmon, Jeff C [ORNL; Chae, K. Y. [University of Tennessee, Knoxville (UTK); Chipps, K. [Colorado School of Mines, Golden; Cizewski, J. A. [Rutgers University; Hatarik, Robert [Rutgers University; Jones, K. L. [University of Tennessee, Knoxville (UTK); Kozub, R. L. [Tennessee Technological University; Matei, Catalin [Oak Ridge Associated Universities (ORAU); Moazen, Brian [University of Tennessee, Knoxville (UTK); Nesaraja, Caroline D [ORNL; Pain, Steven D [ORNL; Paulauskas, Stanley [University of Tennessee, Knoxville (UTK); Peters, W. A. [Rutgers University; Pittman, S. T. [University of Tennessee, Knoxville (UTK); Schmitt, Kyle [University of Tennessee, Knoxville (UTK); ShrinerJr., J. F. [Tennessee Technological University; Smith, Michael Scott [ORNL

    2008-01-01

    The magnitude of the 15N(n,gamma)16N reaction rate in asymptotic giant branch stars depends directly on the neutron spectroscopic factors of low-lying 16N levels. A new study of the 15N(d,p)16N reaction is reported populating the ground and first three excited states in 16N. The measured spectroscopic factors are near unity as expected from shell model calculations, resolving a long-standing discrepancy with earlier measurements that had never been confirmed or understood. Updated 15N(n,gamma)16N reaction rates are presented.

  10. Neutron-Spectroscopic Factors for Low-Lying 16N Levels

    Energy Technology Data Exchange (ETDEWEB)

    Bardayan, Daniel W [ORNL; O' Malley, Patrick [Rutgers University; Blackmon, Jeff C [ORNL; Chae, K. Y. [University of Tennessee, Knoxville (UTK); Chipps, K. [Colorado School of Mines, Golden; Cizewski, J. A. [Rutgers University; Hatarik, Robert [Rutgers University; Jones, K. L. [University of Tennessee, Knoxville (UTK); Kozub, R. L. [Tennessee Technological University; Matei, Catalin [Oak Ridge Associated Universities (ORAU); Moazen, Brian [University of Tennessee, Knoxville (UTK); Nesaraja, Caroline D [ORNL; Pain, Steven D [ORNL; Paulauskas, Stanley [University of Tennessee, Knoxville (UTK); Peters, W. A. [Rutgers University; Pittman, S. T. [University of Tennessee, Knoxville (UTK); Schmitt, Kyle [University of Tennessee, Knoxville (UTK); ShrinerJr., J. F. [Tennessee Technological University; Smith, Michael Scott [ORNL

    2008-01-01

    The magnitude of the 15N(n,gamma )16N reaction rate in asymptotic giant branch stars depends directly on the neutron spectroscopic factors of low-lying 16N levels. A new study of the 15N(d, p)16N reaction is reported populating the ground and first three excited states in 16N. The preliminary spectroscopic factors are near unity as expected from shell model calculations, resolving a longstanding discrepancy with previous experiments. The data and analysis are presented.

  11. Comment on "The low lying modes of triplet-condensed neutron matter and their effective theory"

    CERN Document Server

    Leinson, L B

    2013-01-01

    Contrary to what is claimed in the article by P. F. Bedaque and A. N. Nicholson [Phys. Rev. C 87, 055807 (2013)], their result do not contradict but rather complement the conclusion of the paper by L. B. Leinson [Phys. Rev. C 85, 0655021 (2012)] with respect to the low lying nonunitary excitations in the anisotropic neutron superfluid. In fact, the corresponding Goldstone modes (angulons), existing at zero temperature, can be found from Eq. (59) of the work by Leinson. Being massless at absolute zero these modes acquire a mass gap at finite temperature.

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

    Science.gov (United States)

    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.

  13. Low-lying dipole strength in the N = 28 shell-closure nucleus {sup 52}Cr

    Energy Technology Data Exchange (ETDEWEB)

    Pai, Haridas; Beller, Jacob; Benouaret, Nadia; Enders, Joachim; Hartmann, Timo; Karg, Oliver; Neumann-Cosel, Peter von; Pietralla, Norbert; Ponomarev, Vladimir Yu.; Romig, Christopher; Schnorrenberger, Linda; Volz, Stephan; Zweidinger, Markus [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); Scheck, Marcus [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); School of Engineering, University of the West of Scotland, Paisley (United Kingdom); SUPA, Scottish Universities Physics Alliance, Glasgow (United Kingdom)

    2014-07-01

    Low-lying electric and magnetic dipole strengths (E1 and M1, respectively) of atomic nuclei have drawn considerable attention in the last decade. The low-lying dipole strength of the N = 28 closed-shell nucleus {sup 52}Cr was studied with nuclear resonance fluorescence up to 9.9 MeV, using bremsstrahlung at the superconducting Darmstadt electron linear accelerator S-DALINAC. Twenty-eight spin-1 states were observed between 5.0 and 9.5 MeV excitation energy, 14 of those for the first time and uncertainties for cross sections were reduced in many cases. Both, electric dipole excitations (E1, around 8 MeV) and magnetic dipole excitations (M1, around 9 MeV) were detected. Microscopic calculations within the quasiparticle-phonon nuclear model were performed using a basis which includes one-, two-, and three-phonon configurations to interpret the dipole strength distributions of {sup 52}Cr and show good agreement with experimental results.

  14. Shell model description of low-lying states in Po and Rn isotopes

    Science.gov (United States)

    Higashiyama, Koji; Yoshinaga, Naotaka

    2014-03-01

    Nuclear structure of the Po and Rn isotopes is theoretically studied in terms of the spherical shell model with the monopole- and quadrupole-pairing plus quadrupole-quadrupole effective interaction. The experimental energy levels of low-lying states are well reproduced. The shell model results are examined in detail in a pair-truncated shell model. The analysis reveals the alignment of two protons in the 0h9/2 orbital at spin 8.

  15. Shell model description of low-lying states in Po and Rn isotopes

    Directory of Open Access Journals (Sweden)

    Higashiyama Koji

    2014-03-01

    Full Text Available Nuclear structure of the Po and Rn isotopes is theoretically studied in terms of the spherical shell model with the monopole- and quadrupole-pairing plus quadrupole-quadrupole effective interaction. The experimental energy levels of low-lying states are well reproduced. The shell model results are examined in detail in a pair-truncated shell model. The analysis reveals the alignment of two protons in the 0h9/2 orbital at spin 8.

  16. Low lying charmonium states at the physical point

    CERN Document Server

    Mohler, Daniel; Kronfeld, Andreas S; Lee, Song-haeng; Levkova, Ludmila; Simone, J N

    2014-01-01

    We present results for the mass splittings of low-lying charmonium states from a calculation with Wilson clover valence quarks with the Fermilab interpretation on an asqtad sea. We use five lattice spacings and two values of the light sea quark mass to extrapolate our results to the physical point. Sources of systematic uncertainty in our calculation are discussed and we compare our results for the 1S hyperfine splitting, the 1P-1S splitting and the P-wave spin orbit and tensor splittings to experiment.

  17. On properties of low-lying spin-1 hadron resonances

    Science.gov (United States)

    Chizhov, M. V.

    2017-03-01

    Properties of low-lying spin-1 hadron resonances are described in the review. It is shown how the Nambu-Jona-Lasinio model can be extended in the chiral invariant way by new tensor interactions. New mass formulas are obtained, which are not based on unitary symmetry groups but involve particles from different multiplets even with opposite parity. They all are in good agreement with experimental data. Dynamic properties of spin-1 mesons confirmed by the calculations performed using the QCD sum rule technique and the lattice calculations are understood and explained.

  18. Decay properties of low-lying collective states in sup 1 sup 3 sup 2 Ba

    CERN Document Server

    Gade, A; Meise, H; Gelberg, A; Brentano, P V

    2002-01-01

    The decay properties of low-lying collective states in sup 1 sup 3 sup 2 Ba were studied by means of gamma spectroscopy following the beta-decay of the 2 sup - ground state (T sub 1 sub / sub 2 =4.8 h) and a 6 sup - isomer (T sub 1 sub / sub 2 =24.3 min) of sup 1 sup 3 sup 2 La. The lanthanum nuclei were produced at the Cologne FN TANDEM accelerator using the reaction sup 1 sup 2 sup 2 Sn( sup 1 sup 4 N, 4n) sup 1 sup 3 sup 2 La. The gamma gamma coincidences and singles spectra were measured with the OSIRIS-cube spectrometer. Beside ground and quasi-gamma band many other low-lying states were observed. The gamma gamma angular correlations were analyzed to assign spins to the excited states, and to determine the multipolarities of the depopulating the gamma transitions. We also confirmed the expected dominant E2 character of transitions in the quasi-gamma band and from the quasi-gamma to the ground band but with a certain deviation: the decay 6 sup + sub 2->6 sup + sub 1 shows an unexpected large M1 fraction. ...

  19. Configuration mixing in low-lying spectra of carbon hypernuclei

    Science.gov (United States)

    Xia, HaoJie; Mei, Hua; Yao, JiangMing

    2017-10-01

    We perform a coupled-channels study of the low-lying states in $^{13,15,17,19}_{~~~~~~~~~~~~~~~~~~~~~\\Lambda}$C with a covariant energy density functional based microscopic particle-core coupling model. The energy differences of $1/2^-$ and $3/2^-$ states in $^{13}_\\Lambda$C and $^{15}_\\Lambda$C are predicted to be 0.25 MeV and 0.34 MeV, respectively. We find that configuration mixings in the $1/2^-$ and $3/2^-$ states of $^{15}_\\Lambda$C are the weakest among those of $^{13,15,17,19}_{~~~~~~~~~~~~~~~~~~~~~\\Lambda}$C. It indicates that $^{15}_\\Lambda$C provides the best candidate among the carbon hypernuclei to study the spin-orbit splitting of $p_\\Lambda$ hyperon state.

  20. A numerical study of the thermal stability of low-lying coronal loops

    Science.gov (United States)

    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.

  1. Computed potential surfaces for six low-lying states of Ni3

    Science.gov (United States)

    Walch, Stephen P.

    1987-01-01

    Selected portions of the potential surfaces for six low lying states of Ni3 are the subject of the present SCF/CCI calculations using the effective core potentials developed by Hay and Wadt (1985); the four states are studied for near-equilateral triangle geometries are within 0.04 eV of each other. Two states are studied for linear geometries, of which the first is 0.16 eV higher than the corresponding near-equilateral triangle state and the second is estimated to be nearly degenerate with the near-equilateral triangle structures.

  2. On the low-lying states of MgO. II

    Science.gov (United States)

    Bauschlicher, C. W., Jr.; Lengsfield, B. H., III; Silver, D. M.; Yarkony, D. R.

    1981-01-01

    Using a double zeta plus polarization basis set of Slater orbitals, full valence MCSCF (FVMCSCF) calculations were performed for the low-lying states of MgO. For each state the FVMCSCF calculations were used to identify the important configurations which are then used in the MCSCF calculation and subsequently as references in a single and double excitation CI calculation. This approach is found to treat all states equivalently, with the maximum error in the computed transition energies and equilibrium bond lengths of 800/cm and approximately 0.03 A, respectively. The b 3 Sigma + state which has yet to be characterized experimentally is predicted to have a transition energy of approximately 8300/cm and a bond length of 1.79 A. A spectroscopic analysis of the potential curves indicates that their shapes are in quite reasonable agreement with the range of experimental results.

  3. Performance of Hyperspherical Harmonic Expansionon the Low-lying Pand D States of Helium Atom

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The wave functions of the n 1,3P (n=2,3,4) and the n 1,3D (n=3,4,5) low-lying states ofthe helium atom are expanded into the complete sets of the symmetrically adapted basis functionsfrom hyperspherical harmonic functions in the angle part and of generalized Laguerre functions inthe radial part respectively, and are then augmented by the simplest type of Jastrow correlationfactor to incorporate electron-nucleus cusp only. The excellent agreement between the presentnonrelativistic eigen-energies and those from the sophisticated configuration interaction (CI)method for the examined states indicates that the hyperspherical harmonic method can also be applied to the P and the D excited states of the helium atom.

  4. On the low-lying states of MgO. II

    Science.gov (United States)

    Bauschlicher, C. W., Jr.; Lengsfield, B. H., III; Silver, D. M.; Yarkony, D. R.

    1981-01-01

    Using a double zeta plus polarization basis set of Slater orbitals, full valence MCSCF (FVMCSCF) calculations were performed for the low-lying states of MgO. For each state the FVMCSCF calculations were used to identify the important configurations which are then used in the MCSCF calculation and subsequently as references in a single and double excitation CI calculation. This approach is found to treat all states equivalently, with the maximum error in the computed transition energies and equilibrium bond lengths of 800/cm and approximately 0.03 A, respectively. The b 3 Sigma + state which has yet to be characterized experimentally is predicted to have a transition energy of approximately 8300/cm and a bond length of 1.79 A. A spectroscopic analysis of the potential curves indicates that their shapes are in quite reasonable agreement with the range of experimental results.

  5. Dynamical Structure of Nuclear Excitation in Continuum

    Institute of Scientific and Technical Information of China (English)

    ZHANG Chun-Lei; ZHANG Huan-Qiao; ZHANG Xi-Zhen

    2005-01-01

    @@ Dynamical structures of collective excitation in continuum are studied by calculating the isoscalar and isovector strength as well as transition density of nuclei near the drip-line such as 28O and 34Ca. It is found that for some excited states in continuum the proton and neutron transition density calculated from isoscalar and isovector excitation at some given energies may be different, which will affect the calculation of the polarization for nuclei with N ≠ Z.

  6. Transition from vibrational to rotational character in low-lying states of hypernuclei

    Science.gov (United States)

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

    2017-07-01

    In order to clarify the nature of hypernuclear low-lying states, we carry out a comprehensive study of the structure of Λ 145-155Sm hypernuclei, which exhibit a transition from vibrational to rotational character as the neutron number increases. To this end, we employ a microscopic particle-core coupling scheme based on a covariant density functional theory. We find that the positive-parity ground-state band in the hypernuclei shares a similar structure to that of the corresponding core nucleus. That is, regardless of whether the core nucleus is spherical or deformed, each hypernuclear state is dominated by the single configuration of the Λ particle in the s1 /2 state (Λ s1 /2 ) coupled to one core state of the ground band. In contrast, the low-lying negative-parity states mainly consist of Λ p1 /2 and Λ p3 /2 configurations coupled to plural nuclear core states. We show that, while the mixing amplitude between these configurations is negligibly small in spherical and weakly deformed nuclei, it strongly increases as the core nucleus undergoes a transition to a well deformed shape, which is consistent with the Nilsson wave functions. We demonstrate that the structure of these negative-parity states with spin I can be well understood based on a naive L S coupling scheme, with total orbital angular momentum L =[I ⊗1 ] and spin angular momentum S =1 /2 .

  7. Low-lying isomeric state in {sup 80}Ga from the {beta}{sup -} decay of {sup 80}Zn

    Energy Technology Data Exchange (ETDEWEB)

    LicA, R.; Marginean, N.; Ghita, D.G. [Horia Hulubei National Institute for Physics and Nuclear Engineering, Bucharest (Romania); and others

    2012-10-20

    A new level scheme was constructed for {sup 80}Ga which is significantly different from the one previously reported. The excitation energy of a new low-lying state recently reported in [2] was identified at 22.4 keV. Properties of the level scheme suggest that the ground state has spin J = 6 and the first excited state has spin J = 3. The spin assignments are in agreement with laser spectroscopy values previously measured. Our work provides the first evidence for the J = 6 being the ground state.

  8. The H2+ molecular ion: Low-lying states

    Science.gov (United States)

    Olivares-Pilón, Horacio; Turbiner, Alexander V.

    2016-10-01

    Matching for a wavefunction the WKB expansion at large distances and Taylor expansion at small distances leads to a compact, few-parametric uniform approximation found in Turbiner and Olivares-Pilon (2011). The ten low-lying eigenstates of H2+ of the quantum numbers (n , m , Λ , ±) with n = m = 0 at Λ = 0 , 1 , 2, with n = 1, m = 0 and n = 0, m = 1 at Λ = 0 of both parities are explored for all interproton distances R. For all these states this approximation provides the relative accuracy ≲ 10-5 (not less than 5 s.d.) locally, for any real coordinate x in eigenfunctions, when for total energy E(R) it gives 10-11 s.d. for R ∈ [ 0 , 50 ] a.u. Corrections to the approximation are evaluated in the specially-designed, convergent perturbation theory. Separation constants are found with not less than 8 s.d. The oscillator strength for the electric dipole transitions E 1 is calculated with not less than 6 s.d. A dramatic dip in the E 1 oscillator strength f 1 sσg - 3 pσu at R ∼Req is observed. The magnetic dipole and electric quadrupole transitions are calculated for the first time with not less than 6 s.d. in oscillator strength. For two lowest states (0 , 0 , 0 , ±) (or, equivalently, 1 sσg and 2 pσu states) the potential curves are checked and confirmed in the Lagrange mesh method within 12 s.d. Based on them the Energy Gap between 1 sσg and 2 pσu potential curves is approximated with modified Pade Re-R [ Pade(8 / 7) ] (R) with not less than 4-5 figures at R ∈ [ 0 , 40 ] a.u. Sum of potential curves E1sσg +E2pσu is approximated by Pade 1 / R [ Pade(5 / 8) ] (R) in R ∈ [ 0 , 40 ] a.u. with not less than 3-4 figures.

  9. On the low-lying states of TiN

    Science.gov (United States)

    Bauschlicher, C. W., Jr.

    1983-01-01

    A series of CAS SCF and multi-reference CI calculations are used to describe the lowest states of TiN. The bonding in all states is described as a triple bond involving the Ti 3d orbitals. The system has some ionic character as seen from both population analysis and dipole moment. The origins of the excited states are discussed.

  10. Low-lying resonances in the {sup 16}B nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Dufour, M., E-mail: marianne.dufour@ires.in2p3.f [IPHC Bat27, IN2P3-CNRS/Universite de Strasbourg, BP28, F-67037 Strasbourg Cedex 2 (France); Descouvemont, P., E-mail: pdesc@ulb.ac.b [Physique Nucleaire Theorique et Physique Mathematique, C.P. 229, Universite Libre de Bruxelles (ULB), B 1050 Brussels (Belgium)

    2011-01-31

    We investigate the {sup 16}B spectrum within a microscopic {sup 15}B + n model, involving several channels. The wave functions are defined in the Generator Coordinate Method, associated with the microscopic R-matrix formalism. We suggest that the narrow peak observed in recent experiments above the {sup 15}B + n threshold can be assigned to a 0{sup -} resonance which decays by d-wave neutron emission. The GCM calculation shows that this state cannot be reproduced in a single-channel {sup 15}B(3/2{sup -})+n model, and that excited configurations are necessary. Other 1{sup -} and 2{sup -}s-wave resonances are found at low excitation energies. In particular, we find a 1{sup -} state which represents a possible candidate for the {sup 16}B ground state. In general, our results show the importance of a multichannel framework. Comparisons with shell-model calculations are briefly discussed.

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

    Science.gov (United States)

    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.

  12. No-Core MCSM calculation for $^{10}$Be and $^{12}$Be low-lying spectra

    CERN Document Server

    Liu, Lang; Shimizu, Noritaka; Utsuno, Yutaka; Roth, Robert

    2011-01-01

    The low-lying excited states of $^{10}$Be and $^{12}$Be are investigated within a no-core Monte Carlo Shell Model (MCSM) framework employing a realistic potential obtained via the Unitary Correlation Operator Method. The excitation energies of the 2$^+_1$ and 2$^+_2$ states and the B(E2; 2$^+_{1}\\rightarrow$ 0$^+_{g.s.}$) for $^{10}$Be in the MCSM with a treatment of spurious center-of-mass motion show good agreement with experimental data. The deformation properties of the 2$^+_1$, 2$^+_2$ states for $^{10}$Be and of the 2$^+_1$ state for $^{12}$Be are studied in terms of quadrupole moments, E2 transitions and the single-particle occupations. The triaxial deformation of $^{10}$Be is tested by the B(E2; 2$^+_{2}\\rightarrow$ 2$^+_{1}$) value. The removal of the spurious center-of-mass motion shifts the 1$^-_1$ level significantly, improving agreement with experiment.

  13. Ground and Low-Lying Collective States of Rotating Three-Boson System

    Science.gov (United States)

    Imran, Mohd.; Ahsan, M. A. H.

    2016-04-01

    The ground and low-lying collective states of a rotating system of N = 3 bosons harmonically confined in quasi-two-dimension and interacting via repulsive finite-range Gaussian potential is studied in weakly to moderately interacting regime. The N-body Hamiltonian matrix is diagonalized in subspaces of quantized total angular momenta 0 ≥ L ≥ 4N to obtain the ground and low-lying eigenstates. Our numerical results show that breathing modes with N-body eigenenergy spacing of 2ħω⊥, known to exist in strictly 2D system with zero-range (δ-function) interaction potential, may as well exist in quasi-2D system with finite-range Gaussian interaction potential. To gain an insight into the many-body states, the von Neumann entropy is calculated as a measure of quantum correlation and the conditional probability distribution is analyzed for the internal structure of the eigenstates. In the rapidly rotating regime the ground state in angular momentum subspaces L = (q/2)N (N - 1) with q = 2, 4 is found to exhibit the anticorrelation structure suggesting that it may variationally be described by a Bose-Laughlin like state. We further observe that the first breathing mode exhibits features similar to the Bose-Laughlin state in having eigenenergy, von Neumann entropy and internal structure independent of interaction for the three-boson system considered here. On the contrary, for eigenstates lying between the Bose-Laughlin like ground state and the first breathing mode, values of eigenenergy, von Neumann entropy and internal structure are found to vary with interaction.

  14. The Low-Lying Electronic States of LiB

    Science.gov (United States)

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

    1995-01-01

    The spectroscopic constants for the triplet and singlet states of LiB below about 30 000/ cm are determined using an internally contracted multireference configuration interaction approach in conjunction with [6s 5p 3d 2f] atomic natural orbital basis sets. The ground state is (sup 3)Pi as found in previous work. No excited triplet states are found to be ideal for characterizing the ground state; the (1)(sup 3)Sigma(sup -) state has a transition energy that is too small for many experimental approaches and the (2)(sup 3)Pi and (3)(sup 3)Pi states have bond lengths that are significantly longer than the ground state, resulting in transition intensities that are spread out over many vibrational levels of the ground state.

  15. Qualitative analysis of low-lying resonances of the dipositronium emerging from Ps-Ps and Ps-Ps* collisions

    CERN Document Server

    Bao, C G

    1999-01-01

    An analysis of the channel wave functions is made to clarify the types of resonance emerging from Ps-Ps and Ps-Ps* collisions. The ordering of the energy levels of the states of the dipositronium is evaluated based on the inherent nodal structures of wave functions and on existing theoretical results. A few very probable low-lying narrower resonances, namely the 0+(A2), 1-(E),..., benefiting from the centrifugal barrier have been proposed.

  16. Qualitative Analysis of Low-Lying Resonances of the Dipositronium Emerging from Ps-Ps and Ps-Ps Collisions

    Institute of Scientific and Technical Information of China (English)

    BAO Cheng-Guang; SHI Ting-Yun

    2000-01-01

    An analysis of channel wave functions is made to clarify the types of resonance emergingfrom the Ps-Ps andPs-Ps* collisions. The ordering of the energy levels of the states of the dipositronium is evaluated based on theinherent nodal structures of wave functions and on the existing theoretical results. The existence of a few veryprobable low-lying narrower resonances, namely the 0+1 (A2), 1-1-(E), ..., benefiting from the centrifugal barrierhas been suggested.

  17. Double-excited resonant structure of photoionization

    Institute of Scientific and Technical Information of China (English)

    刘锦超; 杨向东; 王宗笠; 程延松

    1997-01-01

    The dominant diagrams were found in double-excited resonant structure of photoionization by using many-body perturbation theory.Based on the characteristics of these diagrams,the couple-equation method was improved,and the summation of specific classes of these diagrams is to an infinite order,and the resonant peaks with the widths are obtained first.The doubled-excited resonant structures (2p,3s)→(3p,np),(3p,nf),(3d,nd),(3d,ns) and (4s,ns) of the photoionization processes 2p→ks,kd are obtained.The photoionization with excitation process (2p,3s)→(3p,kp) was included in the calculations.The results of calculations are compared with the experimental data from 38.5 to 46.8 eV photon energies,which are in good agreement with the experiment.

  18. Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz

    Science.gov (United States)

    Dupuy, Nicolas; Bouaouli, Samira; Mauri, Francesco; Sorella, Sandro; Casula, Michele

    2015-06-01

    We study the ionization energy, electron affinity, and the π → π∗ (1La) excitation energy of the anthracene molecule, by means of variational quantum Monte Carlo (QMC) methods based on a Jastrow correlated antisymmetrized geminal power (JAGP) wave function, developed on molecular orbitals (MOs). The MO-based JAGP ansatz allows one to rigorously treat electron transitions, such as the HOMO → LUMO one, which underlies the 1La excited state. We present a QMC optimization scheme able to preserve the rank of the antisymmetrized geminal power matrix, thanks to a constrained minimization with projectors built upon symmetry selected MOs. We show that this approach leads to stable energy minimization and geometry relaxation of both ground and excited states, performed consistently within the correlated QMC framework. Geometry optimization of excited states is needed to make a reliable and direct comparison with experimental adiabatic excitation energies. This is particularly important in π-conjugated and polycyclic aromatic hydrocarbons, where there is a strong interplay between low-lying energy excitations and structural modifications, playing a functional role in many photochemical processes. Anthracene is an ideal benchmark to test these effects. Its geometry relaxation energies upon electron excitation are of up to 0.3 eV in the neutral 1La excited state, while they are of the order of 0.1 eV in electron addition and removal processes. Significant modifications of the ground state bond length alternation are revealed in the QMC excited state geometry optimizations. Our QMC study yields benchmark results for both geometries and energies, with values below chemical accuracy if compared to experiments, once zero point energy effects are taken into account.

  19. Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz.

    Science.gov (United States)

    Dupuy, Nicolas; Bouaouli, Samira; Mauri, Francesco; Sorella, Sandro; Casula, Michele

    2015-06-07

    We study the ionization energy, electron affinity, and the π → π(∗) ((1)La) excitation energy of the anthracene molecule, by means of variational quantum Monte Carlo (QMC) methods based on a Jastrow correlated antisymmetrized geminal power (JAGP) wave function, developed on molecular orbitals (MOs). The MO-based JAGP ansatz allows one to rigorously treat electron transitions, such as the HOMO → LUMO one, which underlies the (1)La excited state. We present a QMC optimization scheme able to preserve the rank of the antisymmetrized geminal power matrix, thanks to a constrained minimization with projectors built upon symmetry selected MOs. We show that this approach leads to stable energy minimization and geometry relaxation of both ground and excited states, performed consistently within the correlated QMC framework. Geometry optimization of excited states is needed to make a reliable and direct comparison with experimental adiabatic excitation energies. This is particularly important in π-conjugated and polycyclic aromatic hydrocarbons, where there is a strong interplay between low-lying energy excitations and structural modifications, playing a functional role in many photochemical processes. Anthracene is an ideal benchmark to test these effects. Its geometry relaxation energies upon electron excitation are of up to 0.3 eV in the neutral (1)La excited state, while they are of the order of 0.1 eV in electron addition and removal processes. Significant modifications of the ground state bond length alternation are revealed in the QMC excited state geometry optimizations. Our QMC study yields benchmark results for both geometries and energies, with values below chemical accuracy if compared to experiments, once zero point energy effects are taken into account.

  20. Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz

    Energy Technology Data Exchange (ETDEWEB)

    Dupuy, Nicolas, E-mail: nicolas.dupuy@impmc.upmc.fr [Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, case 115, 4 place Jussieu, 75252 Paris Cedex 05 (France); Bouaouli, Samira, E-mail: samira.bouaouli@lct.jussieu.fr [Laboratoire de Chimie Théorique, Université Pierre et Marie Curie, case 115, 4 place Jussieu, 75252 Paris Cedex 05 (France); Mauri, Francesco, E-mail: francesco.mauri@impmc.upmc.fr; Casula, Michele, E-mail: michele.casula@impmc.upmc.fr [CNRS and Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, case 115, 4 place Jussieu, 75252 Paris Cedex 05 (France); Sorella, Sandro, E-mail: sorella@sissa.it [International School for Advanced Studies (SISSA), Via Beirut 2-4, 34014 Trieste, Italy and INFM Democritos National Simulation Center, Trieste (Italy)

    2015-06-07

    We study the ionization energy, electron affinity, and the π → π{sup ∗} ({sup 1}L{sub a}) excitation energy of the anthracene molecule, by means of variational quantum Monte Carlo (QMC) methods based on a Jastrow correlated antisymmetrized geminal power (JAGP) wave function, developed on molecular orbitals (MOs). The MO-based JAGP ansatz allows one to rigorously treat electron transitions, such as the HOMO → LUMO one, which underlies the {sup 1}L{sub a} excited state. We present a QMC optimization scheme able to preserve the rank of the antisymmetrized geminal power matrix, thanks to a constrained minimization with projectors built upon symmetry selected MOs. We show that this approach leads to stable energy minimization and geometry relaxation of both ground and excited states, performed consistently within the correlated QMC framework. Geometry optimization of excited states is needed to make a reliable and direct comparison with experimental adiabatic excitation energies. This is particularly important in π-conjugated and polycyclic aromatic hydrocarbons, where there is a strong interplay between low-lying energy excitations and structural modifications, playing a functional role in many photochemical processes. Anthracene is an ideal benchmark to test these effects. Its geometry relaxation energies upon electron excitation are of up to 0.3 eV in the neutral {sup 1}L{sub a} excited state, while they are of the order of 0.1 eV in electron addition and removal processes. Significant modifications of the ground state bond length alternation are revealed in the QMC excited state geometry optimizations. Our QMC study yields benchmark results for both geometries and energies, with values below chemical accuracy if compared to experiments, once zero point energy effects are taken into account.

  1. Theory of elementary excitations in quasiperiodic structures

    Science.gov (United States)

    Albuquerque, E. L.; Cottam, M. G.

    2003-03-01

    The aim of this work is to present a comprehensive and up-to-date review of the main physical properties (such as energy profiles, localization, scale laws, multifractal analysis, transmission spectra, transmission fingerprints, electronic structures, magnetization curves and thermodynamic properties) of the elementary excitations that can propagate in multilayered structures with constituents arranged in a quasiperiodic fashion. These excitations include plasmon-polaritons, spin waves, light waves and electrons, among others. A complex fractal or multifractal profile of the energy spectra is the common feature among these excitations. The quasiperiodic property is formed by the incommensurate arrangement of periodic unit cells and can be of the type referred to as deterministic (or controlled) disorder. The resulting excitations are characterized by the nature of their Fourier spectrum, which can be dense pure point (as for the Fibonacci sequence) or singular continuous (as for the Thue-Morse and double-period sequences). These sequences are described in terms of a series of generations that obey particular recursion relations, and they can be considered as intermediate systems between a periodic crystal and the random amorphous solids, thus defining a novel description of disorder. A discussion is also included of some spectroscopic techniques used to probe the excitations, emphasizing Raman and Brillouin light scattering.

  2. Theoretical calculation of low-lying states of NaAr and NaXe

    Science.gov (United States)

    Laskowski, B. C.; Langhoff, S. R.; Stallcop, J. R.

    1981-01-01

    Potential curves as well as dipole moments and linking transition moments are calculated for the ground X 2 Sigma + and low lying excited A 2 Pi, B 2 Sigma +, C 2 Sigma +, (4) 2 Sigma +, (2) 2 Pi and (1) 2 Delta states of NaAr and NaXe. Calculations are performed using a self-consistent field plus configuration-interaction procedure with the core electrons replaced by an ab initio effective core potential. The potential curves obtained are found to be considerably less repulsive than the semiempirical curves of Pascale and Vandeplanque (1974) and to agree well with existing experimental data, although the binding energies of those states having potential minima due to van der Waals interactions are underestimated. Emission bands are also calculated for the X 2 Sigma + - C 2 Sigma + excimer transitions of NaAr and NaXe using the calculated transition moments and potential curves, and shown to agree well with experiment on the short-wavelength side of the maximum.

  3. Low-lying electronic states of CuN calculated by MRCI method

    Science.gov (United States)

    Zhang, Shu-Dong; Liu, Chao

    2016-10-01

    The high accuracy ab initio calculation method of multi-reference configuration interaction (MRCI) is used to compute the low-lying eight electronic states of CuN. The potential energy curves (PECs) of the X3Σ-, 13Π, 23Σ-, 13Δ, 11Δ, 11Σ-, 11Π, and 5Σ- in a range of R = 0.1 nm-0.5 nm are obtained and they are goodly asymptotes to the Cu(2Sg) + N(4Su) and Cu(2Sg) + N(2Du) dissociation limits. All the possible vibrational levels, rotational constants, and spectral constants for the six bound states of X3Σ-, 13Π, 23Σ-, 11Δ, 11Σ-, and 11Π are obtained by solving the radial Schrödinger equation of nuclear motion with the Le Roy provided Level8.0 program. Also the transition dipole moments from the ground state X3Σ- to the excited states 13Π and 23Σ- are calculated and the result indicates that the 23Σ--X3Σ- transition has a much higher transition dipole moment than the 13Π-X3Σ- transition even though the 13Π state is much lower in energy than the 23Σ- state.

  4. Low-lying charmed and charmed-strange baryon states

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Bing [Anyang Normal University, Department of Physics, Anyang (China); Institute of Modern Physics of CAS and Lanzhou University, Research Center for Hadron and CSR Physics, Lanzhou (China); Wei, Ke-Wei [Anyang Normal University, Department of Physics, Anyang (China); Liu, Xiang [Lanzhou University, School of Physical Science and Technology, Lanzhou (China); Institute of Modern Physics of CAS and Lanzhou University, Research Center for Hadron and CSR Physics, Lanzhou (China); Matsuki, Takayuki [Tokyo Kasei University, Tokyo (Japan); Nishina Center, RIKEN, Theoretical Research Division, Saitama (Japan)

    2017-03-15

    In this work, we systematically study the mass spectra and strong decays of 1P and 2S charmed and charmed-strange baryons in the framework of non-relativistic constituent quark models. With the light quark cluster-heavy quark picture, the masses are simply calculated by a potential model. The strong decays are studied by the Eichten-Hill-Quigg decay formula. Masses and decay properties of the well-established 1S and 1P states can be reproduced by our method. Σ{sub c}(2800){sup 0,+,++} can be assigned as a Σ{sub c2}(3/2{sup -}) or Σ{sub c2}(5/2{sup -}) state. We prefer to interpret the signal Σ{sub c}(2850){sup 0} as a 2S(1/2{sup +}) state although at present we cannot thoroughly exclude the possibility that this is the same state as Σ{sub c}(2800){sup 0}. Λ{sub c}(2765){sup +} or Σ{sub c}(2765){sup +} could be explained as the Λ{sub c}{sup +}(2S) state or Σ{sup +}{sub c1}(1/2{sup -}) state, respectively. We propose to measure the branching ratio of B(Σ{sub c}(2455)π)/B(Σ{sub c}(2520)π) in the future, which may disentangle the puzzle of this state. Our results support Ξ{sub c}(2980){sup 0,+} as the first radial excited state of Ξ{sub c}(2470){sup 0,+} with J{sup P} = 1/2{sup +}. The assignment of Ξ{sub c}(2930){sup 0} is analogous to Σ{sub c}(2800){sup 0,+,++}, i.e., a Ξ{sup '}{sub c2}(3/2{sup -}) or Ξ{sup '}{sub c2}(5/2{sup -}) state. In addition, we predict some typical ratios among partial decay widths, which are valuable for experimental search for these missing charmed and charmed-strange baryons. (orig.)

  5. SiS低激发态势能曲线和光谱性质的全电子组态相互作用方法研究%All-electron configuration interaction study on p otential energy curves of low-lying excited states and sp ectroscopic prop erties of SiS

    Institute of Scientific and Technical Information of China (English)

    李瑞; 张晓美; 李奇楠; 罗旺; 金明星; 徐海峰; 闫冰

    2014-01-01

    The 18 Λ-S states correlated to the lowest dissociation (Si(3Pg)+S(3Pg)) limit are computed with high-level mul-tireference configuration interaction (MRCI(SD)) approach through utilizing all-electron aug-cc-pwCVQZ-DK basis set. The scalar relativistic effect and the core-valence correlation effect of Si (2s22p6) and S (2s22p6) are taken into account. On the basis of calculated potential energy curves, the spectroscopic constants of the bound states are fitted, including equilibrium distance Re , adiabatic transition energies Te , harmonic vibrational frequenciesωe , anharmonic termsωe xe , and rotational constant Be . The electronic configurations at different bond lengths are given. The electronic dipole moments of 18 Λ-S states are calculated, illuminating the influence of electronic configuration variation on electronic dipole moment. With the help of nonvanishing spin-orbit matrixelements including b3Π and A1Π as a function of the internuclear distance, the nearby state perturbations to b3Π and A1Π are discussed in detail. Finally, the transition dipole moments and Franck-Condon factors of A1Π-X1Σ+ and E1Σ+-X1Σ+ transitions are obtained, and radiative lifetimes of five lowest vibrational levels of the two singlet excited states are evaluated.%基于全电子的相关一致极化4-ζ(aug-cc-pwCVQZ-DK)基组,采用高精度的多参考组态相互作用方法计算了SiS自由基与最低的解离极限Si(3Pg)+S(3Pg)对应的18个Λ-S电子态的势能曲线。计算中考虑了标量相对论效应以及Si(2s22p6)和S(2s22p6)内壳层电子产生的关联效应。基于计算的势能曲线,拟合出了束缚态的光谱参数,包括平衡核间距Re,绝热激发能Te,振动常数ωe和ωeχe,平衡转动常数Be;并分析了束缚态在不同键长位置处的电子组态。计算了18个Λ-S态的电偶极矩函数,阐明了电子态的组态变化对电偶极矩的影响。给出了包含b3Π和A1Π态的自旋-轨道矩阵元随核间距变

  6. Low-lying Dirac operator eigenvalues, lattice effects and random matrix theory

    CERN Document Server

    Heller, Urs M

    2011-01-01

    Recently, random matrix theory predictions for the distribution of low-lying Dirac operator eigenvalues have been extended to include lattice effects for both staggered and Wilson fermions. We computed low-lying eigenvalues for the Hermitian Wilson-Dirac operator and for improved staggered fermions on several quenched ensembles with size $\\approx 1.5$ fm. Comparisons to the expectations from RMT with lattice effects included are made. Wilson RMT describes our Wilson data nicely. For improved staggered fermions we find strong indications that taste breaking effects on the low-lying spectrum disappear in the continuum limit, as expected from staggered RMT.

  7. Global Correlations for Low-Lying Collective 2+ States

    Science.gov (United States)

    Qin, Z. Z.; Lei, Y.; Pittel, S.; Bijker, R.

    2017-07-01

    By using the triaxial rotor model and the anharmonic vibrator model with phonon mixing, we derive a global correlation between the quadrupole moments of the two lowest 2+ states in collective nuclei that had previously been observed in experimental data across the periodic table. We then derive other electromagnetic properties for these two models of nuclear structure and compare them globally with experimental data. We find that both models are able to robustly describe the experimental data across the region of nuclei for which the models are applicable, including a large number that they have in common. We then show that there seems to exists a robust orthogonal transformation between these two models for realistic nuclear systems, suggesting that these two seemingly diverse descriptions of quadrupole collective phenomena seem to act in a similar model space and may therefore have a common origin.

  8. Multi-reference calculations on the potential energy curves and spectroscopic properties of the low-lying excited states of BS+%多参考组态相互作用方法研究BS+离子的势能曲线和光谱性质

    Institute of Scientific and Technical Information of China (English)

    高雪艳; 尤凯; 张晓美; 刘彦磊; 刘玉芳

    2013-01-01

    利用量子化学从头计算方法MRCI+Q在AVQZ级别上对BS+离子进行了研究.通过计算得到了与BS+离解极限B+(1 Sg )+S(3 Pg )和B+(1 Sg )+S(1 D)对应的5个Λ-S态,确认了BS+离子的基态为X 3Π电子态,而第一激发态1Σ+的激发能Te 仅仅为564.53 cm-1.首次纳入的旋轨耦合效应(SOC)使得BS+的5个Λ-S态分裂成为9个Ω态,原有的两个离解极限分裂为B+(1S0)+S(3P2), B+(1S0)+S(3P1), B+(1S0)+(3P1)以及B+(1S0)+S(1D2).在考虑自旋轨道耦合效应之后,Ω态的基态为X 2态.通过势能曲线(PECs)可以发现所得到的Λ-S态和Ω态均为束缚态,利用LEVEL8.0程序拟合得到了对应电子态的光谱常数,这些结果可以为实验和理论方面进一步研究BS+的光谱性质提供准确的电子结构信息.%The high-level quantum chemistry ab initio multi-reference configuration interaction method (MRCI) with reasonable aug-cc-p VQZ basis sets is used to calculate the potential energy curves of 5Λ-S states of BS+ radical related to the dissociation limit B+(1Sg)+S(3Pg) and B+(1Sg)+S(1D), where the ground state of X3Πis determined. The spin-orbit interaction is firstly considered, which makes the calculated 5Λ-S states split in to 9Ωstates. Calculated results show that avoided crossing rule exists between theΩstates of the same symmetry. Analysis of electronic structures ofΛ-S states shows that theΛ-S electronic states are multi-configuration in nature. Then the spectroscopic constants of the boundΛ-S andΩstates are obtained by solving the radial Schr ¨odinger equation. All of these data will provide accurate information of the electron structure for further research on BS+in theory and experiment.

  9. The scaling dimension of low lying Dirac eigenmodes and of the topological charge density

    Energy Technology Data Exchange (ETDEWEB)

    Aubin, C. [Department of Physics, Washington University, St. Louis, MO 63130 (United States); Bernard, C. [Department of Physics, Washington University, St. Louis, MO 63130 (United States); Gottlieb, Steven [Department of Physics, Indiana Univerity, Bloomington, IN 47405 (United States); Gregory, E.B. [Department of Physics, University of Arizona, Tucson, AZ 85721 (United States); Heller, Urs M. [American Physical Society, One Research Road, Box 9000, Ridge, NY 11961 (United States); Hetrick, J.E. [Physics Department, University of the Pacific, Stockton, CA 95211 (United States); Osborn, J.; Sugar, R. [Department of Physics, University of California, Santa Barbara, CA 93106 (United States); Forcrand, Ph. de [Institute for Theoretical Physics, ETH Zuerich, CH-8093 Zurich (Switzerland); CERN, Theory Division, CH-1211 Geneva 23 (Switzerland); Jahn, O. [Center for Theoretical Physics, MIT, Cambridge, MA 02139 (United States)

    2005-03-15

    As a quantitative measure of localization, the inverse participation ratio of low lying Dirac eigenmodes and topological charge density is calculated on quenched lattices over a wide range of lattice spacings and volumes. Since different topological objects (instantons, vortices, monopoles, and artifacts) have different co-dimension, scaling analysis provides information on the amount of each present and their correlation with the localization of low lying eigenmodes.

  10. White noise excitation of road vehicle structures

    Indian Academy of Sciences (India)

    Werner Schiehlen

    2006-08-01

    Heave and pitch motions of road vehicle structures affect the comfort and the safety of passengers. Excitation of these vertical vibrations is due to road surface roughness. Road vehicle structures are modelled as mechanical systems characterized by their inertia, damping and stiffness, and represented as state equations. This paper deals with the influence of random road profiles on the vertical dynamics of road vehicles characterized by stochastic processes. Switching from road profile displacement to road profile velocity results in white noise excitation facilitating mathematical analysis. Some fundamentals of power spectral density analysis and covariance analysis are reviewed. A quarter car model is used to show the advantages of the covariance analysis resulting immediately in standard variations characterizing the vehicle’s performance.

  11. Observation of a Novel Low-Lying Excited State in Zinc Complexes.

    Science.gov (United States)

    1985-01-22

    Truesdell and G. A. Crosby * Prepared for Publication In The Journal of the American Chemical Society Washington State University Chemical Physics Program...spin signature has not yet been determined. 14 J J- I.F. ...r at.ion/___.. Ielt I, ty Codes Av-*l and/er This work supported in part by the Office of...REFERENCES (I) -Bray, R. G.; Ferguson, J.; Hawkins, C. J. Aust. J. Chem. 1969, 22, 2091. (2) Highland, R. G.; Crosby, G.A. Manuscript In preparation . (3

  12. Ab initio study of the low-lying electronic states of the CaO molecule

    Energy Technology Data Exchange (ETDEWEB)

    Khalil, Hossain; Brites, Vincent; Quere, Frederic Le [Universite Paris-Est, Laboratoire de Modelisation et Simulation Multi Echelle, UMR 8208 CNRS, Batiment Lavoisier, 5 boulevard Descartes, Champs sur Marne, 77454 Marne-la-Vallee, Cedex 2 (France); Leonard, Celine, E-mail: celine.leonard@univ-paris-est.fr [Universite Paris-Est, Laboratoire de Modelisation et Simulation Multi Echelle, UMR 8208 CNRS, Batiment Lavoisier, 5 boulevard Descartes, Champs sur Marne, 77454 Marne-la-Vallee, Cedex 2 (France)

    2011-07-28

    Graphical abstract: Highly correlated ab initio calculations have been performed for an accurate determination of the electronic structure of the low-lying electronic states of the CaO molecule. The computations are done using the aug-cc-pV5Z basis set for O and the cc-pCV5Z for Ca. The potential energy curves for the molecular states correlating to the lowest three asymptotes are calculated at the CASSCF level. The potential curves of the lowest five molecular states, X{sup 1}{Sigma}{sup +}, a{sup 3}{Pi}, A'{sup 1{Pi}}, b{sup 3}{Sigma}{sup +} and A{sup 1}{Sigma}{sup +}, and the corresponding dipole moment functions have been determined using internally contracted multi-reference configuration interaction approaches. The spectroscopic constants associated with these electronic states are compared to experimental values. The corresponding electronic wavefunctions have also been analyzed using the dipole moment functions. Display Omitted Highlights: {yields} The five lowest electronic states of Cao have been determined ab initio at a high level of accuracy. {yields} Large active space, core-valence correlation and configuration interaction are required. {yields} The multi-configurational nature of the electronic ground state is confirmed as well as its monovalent and divalent ionic nature using dipole moment analysis. {yields} These interacting potentials will serve for future obtention of spin-rovibronic levels. - Abstract: Highly correlated ab initio calculations have been performed for an accurate determination of the electronic structure of the low-lying electronic states of the CaO molecule. The computations are done using the aug-cc-pV5Z basis set for O and the cc-pCV5Z for Ca. The potential energy curves for the molecular states correlating to the lowest three asymptotes are calculated at the CASSCF level. The potential curves of the lowest five molecular states, X{sup 1}{Sigma}{sup +}, a{sup 3}{Pi}, A'{sup 1}{Pi}, b{sup 3}{Sigma}{sup +} and A{sup 1

  13. Primary transitions between the yrast superdeformed band and low-lying normal deformed states in {sup 194}Pb

    Energy Technology Data Exchange (ETDEWEB)

    Hauschild, K.; Bernstein, L.A.; Becker, J.A. [Lawrence Livermore National Lab., CA (United States)] [and others

    1996-12-31

    The observation of one-step `primary` gamma-ray transitions directly linking the superdeformed (SD) states to the normal deformed (ND) low-lying states of known excitation energies (E{sub x}), spins and parities (J{sup {pi}}) is crucial to determining the E{sub x} and J{sup {pi}} of the SD states. With this knowledge one can begin to address some of the outstanding problems associated with SD nuclei, such as the identical band issue, and one can also place more stringent restrictions on theoretical calculations which predict SD states and their properties. Brinkman, et al., used the early implementation of the GAMMASPHERE spectrometer array (32 detectors) and proposed a single, candidate {gamma} ray linking the {sup 194}Pb yrast SD band to the low-lying ND states in {sup 194}Pb. Using 55 detectors in the GAMMASPHERE array Khoo, et al., observed multiple links between the yrast SD band in {sup 194}Hg and the low-lying level scheme and conclusively determined E{sub x} and J of the yrast SD states. Here the authors report on an experiment in which Gammasphere with 88 detectors was used and the E{sub x} and J{sup {pi}} values of the yrast SD states in {sup 194}Pb were uniquely determined. Twelve one-step linking transitions between the yrast SD band and low-lying states in {sup 194}Pb have been identified, including the transition proposed by Brinkman. These transitions have been placed in the level scheme of {sup 194}Pb using coincidence relationships and agreements between the energies of the primary transitions and the energy differences in level spacings. Furthermore, measurements of angular asymmetries have yielded the multipolarities of the primaries which have allowed J{sup {pi}} assignments of the {sup 194}Pb SD states to be unambiguously determined for the first time without a priori assumptions about the character of SD bands. A study performed in parallel to this work using the EUROGAM-II array reports similar, but somewhat less extensive, results.

  14. Low-lying even parity meson resonances and spin-flavor symmetry revisited

    Science.gov (United States)

    García-Recio, C.; Geng, L. S.; Nieves, J.; Salcedo, L. L.; Wang, En; Xie, Ju-Jun

    2013-05-01

    We review and extend the model derived in Garcia-Recio et al. [Phys. Rev. D 83, 016007 (2011)] to address the dynamics of the low-lying even-parity meson resonances. This model is based on a coupled-channels spin-flavor extension of the chiral Weinberg-Tomozawa Lagrangian. This interaction is then used to study the S-wave meson-meson scattering involving members not only of the π octet, but also of the ρ nonet. In this work, we study in detail the structure of the SU(6)-symmetry-breaking contact terms that respect (or softly break) chiral symmetry. We derive the most general local (without involving derivatives) terms consistent with the chiral-symmetry-breaking pattern of QCD. After introducing sensible simplifications to reduce the large number of possible operators, we carry out a phenomenological discussion of the effects of these terms. We show how the inclusion of these pieces leads to an improvement of the description of the JP=2+ sector, without spoiling the main features of the predictions obtained in the original model in the JP=0+ and JP=1+ sectors. In particular, we find a significantly better description of the IG(JPC)=0+(2++), 1-(2++) and the I(JP)=(1)/(2)(2+) sectors, which correspond to the f2(1270), a2(1320), and K2*(1430) quantum numbers, respectively.

  15. Accessing a low-lying bound electronic state of the alkali oxides, LiO and NaO, using laser induced fluorescence

    Science.gov (United States)

    Pugh, J. V.; Shen, K. K.; Winstead, C. B.; Gole, J. L.

    1996-01-01

    The first laser based probe for the sodium and lithium monoxides is established. The Li(Na)+N 2O reactions studied in a multiple collision entrainment mode produce the LiO and NaO ground X 2Π and low-lying monoxide excited states. In contrast to the alkali halides, laser induced excitation spectroscopy confirms that the LiO and NaO B 2Π states, counter to recent predictions, are located at energies well below the ground state dissociation asymptote and, as predicted, possess significant binding energies. An assignment of the laser induced excitation spectra (LIF) for the B 2Π-X 2Π transitions of LiO in the region 3940-4300 Å is based on a direct correlation with the observed chemiluminescence (CL) from the lowest level of the LiO B 2Π state ( ˜4000-7000 Å) and high quality ab initio calculations for the ground state. The self-consistent assignment of the observed LIF and CL spectra makes use of the complimentary extended progressions in the X 2Π (CL) and B 2Π (LIF) vibrational level structure which results from the significant shift of the B 2Π excited state potential relative to that of the ground state. The experimental data are consistent with an excited state vibrational frequency separation of order 130 cm -1, and T e( B2Π) ≈ 26078 ± 800 cm-1. The latter value, in correlation with the ground state dissociation energy of LiO, suggests a B 2Π excited state dissociation energy well in excess of 2000 cm -1. The radiative lifetimes of the lowest levels of the LiO B 2Π state, isoergic with the highest levels of the LiO ground state, are determined to be in excess of 600 ns. The corresponding NaO excitation spectra in the range 6680-7250 Å also correlate well with ab initio calculations for the ground electronic state of NaO. Within this study, we provide optical signatures which one might consider to monitor LiO or NaO in process streams. In correlation with the observed chemiluminescence from B 2Π states of the higher alkali oxides KO, RbO, and

  16. Excited states structure and processes: Understanding organic light-emitting diodes at the molecular level

    Energy Technology Data Exchange (ETDEWEB)

    Shuai, Zhigang, E-mail: zgshuai@tsinghua.edu.cn [MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, 100084 Beijing (China); Peng, Qian, E-mail: qpeng@iccas.ac.cn [Beijing National Laboratory for Molecular Science (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, 100190 Beijing (China)

    2014-04-01

    Photo- or electro-excited states in polyatomic molecules, aggregates, and conjugated polymers are at the center of organic light-emitting diodes (OLEDs). These can decay radiatively or non-radiatively, determining the luminescence quantum efficiency of molecular materials. According to Kasha’s rule, light-emission is dictated by the lowest-lying excited state. For conjugated polymers, the electron correlation effect can lead the lowest-lying excited state to the even-parity 2A{sub g} state which is non-emissive. To understand the nature of the low-lying excited state structure, we developed the density matrix renormalization group (DMRG) theory and its symmetrization scheme for quantum chemistry applied to calculate the excited states structure. We found there are three types of 1B{sub u}/2A{sub g} crossover behaviors: with electron correlation strength U, with bond length alternation, and with conjugation length. These directly influence the light-emitting property. For the electro-excitation, carriers (electron and hole) are injected independently, forming both singlet and triplet excited bound states with statistically 25% and 75% portions, respectively. We found that the exciton formation rate can depend on spin manifold, and for conjugated polymers, the singlet exciton can have larger formation rate leading to the internal electroluminescence quantum efficiency larger than the 25% spin statistical limit. It is originated from the interchain electron correlation as well as intrachain lattice relaxation. For the dipole allowed emissive state, the radiative decay process via either spontaneous emission or stimulated emission can be computed from electronic structure plus vibronic couplings. The challenging issue lies in the non-radiative decay via non-adiabatic coupling and/or spin–orbit coupling. We developed a unified correlation function formalism for the excited state radiative and non-radiative decay rates. We emphasized the low-frequency mode mixing

  17. Sp ectroscopy of Low-lying States in Odd-Z Odd-A Nuclei Beyond Lead

    Institute of Scientific and Technical Information of China (English)

    U Jakobsson; S Juutinen; A Herzan; J Konki; M Leino; M Mallaburn; J Pakarinen; P Papadakis; J Partanen; P Rahkila; M Sandzelius; J Uusitalo; J Saren; C Scholey; J Sorri; S Stolze; K Auranen; H Badran; B Cederwall; D M Cox; T Grahn; P T Greenlees; R Julin

    2016-01-01

    Low-lying states in odd-Z odd-mass nuclei at the proton drip-line beyond lead have recently been studied through fusion-evaporation reactions using a gas-filled recoil separator. Isomeric 1/2+ and 13/2+ states have been observed in odd-mass astatine and francium nuclei. The systematic behaviour of the level energies of these states have been studied and a similarity between the 1/2+ state in astatine and francium has been found. Furthermore, the 13/2+ state has been observed in the francium nuclei with an oblate behaviour suggesting a coupling of the i13/2 proton to the 2p−2h intruder excitation.

  18. The Analysis of Four Waters Converting Mechanism in Wet and Low-lying Farmland

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhong-xue; WEI Yong-xia; KANG Bai-ying

    2004-01-01

    Most of China's wetland areas are located in Sanjiang Plain (Three River Basin). It's area has 207×104 hm2 of wet and low-lying farmland, of which 59% is cropped. During 1970s and 1980s, the Chinese government organized intensive scientific research into potential changes to existing natural resources conditions for this farmland.The aim was to make the water resources regime beneficial to crop production. Arterial drainage, field drainage and appropriate sub-soil treatments were suggested. The Four Waters converting mechanism and the estimation of the Four Water converting amount in wet and low-lying farmland were discussed in the paper.

  19. Study of the β{sup -} decay of {sup 116m1}In: A new interpretation of low-lying 0{sup +} states in {sup 116}Sn

    Energy Technology Data Exchange (ETDEWEB)

    Pore, J.L.; Cross, D.S.; Andreoiu, C.; Ashley, R.; Chester, A.S.; Noakes, B.; Starosta, K.; Voss, P.J. [Simon Fraser University, Department of Chemistry, Burnaby BC (Canada); Ball, G.C.; Bender, P.C.; Garnsworthy, A.B.; Hackman, G.; Rajabali, M.M. [TRIUMF, Vancouver BC (Canada); Diaz Varela, A.; Demand, G.A.; Dunlop, R.; Garrett, P.E.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A.T.; Liblong, A.; Svensson, C.E. [University of Guelph, Department of Physics, Guelph ON (Canada); Kanungo, R. [Saint Mary' s University, Department of Astronomy and Physics, Halifax NS (Canada); Petrache, C.M. [Universite Paris-Saclay, CSNSM, CNRS-IN2P3, Orsay Cedex (France); Wang, Z.M. [Simon Fraser University, Department of Chemistry, Burnaby BC (Canada); TRIUMF, Vancouver BC (Canada); Wood, J.L. [Georgia Institute of Technology, School of Physics, Atlanta, GA (United States); Yates, S.W. [University of Kentucky, Departments of Chemistry and Physics and Astronomy, Lexington, KY (United States)

    2017-02-15

    The {sup 116}Sn nucleus contains a collective rotational band originating from proton π 2p-2h 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 {sup 116}Sn was investigated through a high-statistics study of the β{sup -} decay of {sup 116m1}In with the 8π spectrometer and its ancillary detectors at TRIUMF. These measurements are critical in order to properly characterize the π 2p-2h rotational band. Weak γ-decay branches are observed utilizing γ-γ coincidence spectroscopy methods, leading to the first direct observation of the 85 keV 2{sub 2}{sup +} → 0{sub 3}{sup +} 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 0{sub 3}{sup +} state should replace the previously assigned 1757 keV 0{sub 2}{sup +} state as the band-head of the π 2p-2h rotational band. (orig.)

  20. Theoretical spectroscopy study of the low-lying electronic states of UX and UX+, X = F and Cl

    Science.gov (United States)

    Bross, David H.; Peterson, Kirk A.

    2015-11-01

    Spectroscopic constants (Te, re, B0, ωe, and ωexe) have been calculated for the low-lying electronic states of UF, UF+, UCl, and UCl+ using complete active space 2nd-order perturbation theory (CASPT2), with a series of correlation consistent basis sets. The latter included those based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess Hamiltonians for the U atom. Spin orbit (SO) effects were included a posteriori using the state interacting method using both PP and Breit Pauli (BP) operators, as well as from exact two-component methods for U+ and UF+. Complete basis set (CBS) limits were obtained by extrapolation where possible and the PP and BP calculations were compared at their respective CBS limits. The PP-based method was shown to be reliable in calculating spectroscopic constants, in particular when using the state interacting method with CASPT2 energies (SO-CASPT2). The two component calculations were limited by computational resources and could not include electron correlation from the nominally closed shell 6s and 6p orbitals of U. UF and UCl were both calculated to have Ω = 9/2 ground states. The first excited state of UCl was calculated to be an Ω = 7/2 state at 78 cm-1 as opposed to the same state at 435 cm-1 in UF, and the other low-lying states of UCl showed a similar compression relative to UF. Likewise, UF+ and UCl+ both have Ω = 4 ground states and the manifold of low-lying excited Ω = 3, 2, 1, 0 states was energetically closer together in UCl+ than in UF+, ranging up to 776 cm-1 in UF+ and only 438 cm-1 in UCl+. As in previous studies, the final PP-based SO-CASPT2 results for UF+ and UF agree well with experiment and are expected to be predictive for UCl and UCl+, which are reported here for the first time.

  1. Theoretical spectroscopy study of the low-lying electronic states of UX and UX(+), X = F and Cl.

    Science.gov (United States)

    Bross, David H; Peterson, Kirk A

    2015-11-14

    Spectroscopic constants (Te, re, B0, ωe, and ωexe) have been calculated for the low-lying electronic states of UF, UF(+), UCl, and UCl(+) using complete active space 2nd-order perturbation theory (CASPT2), with a series of correlation consistent basis sets. The latter included those based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess Hamiltonians for the U atom. Spin orbit (SO) effects were included a posteriori using the state interacting method using both PP and Breit Pauli (BP) operators, as well as from exact two-component methods for U(+) and UF(+). Complete basis set (CBS) limits were obtained by extrapolation where possible and the PP and BP calculations were compared at their respective CBS limits. The PP-based method was shown to be reliable in calculating spectroscopic constants, in particular when using the state interacting method with CASPT2 energies (SO-CASPT2). The two component calculations were limited by computational resources and could not include electron correlation from the nominally closed shell 6s and 6p orbitals of U. UF and UCl were both calculated to have Ω = 9/2 ground states. The first excited state of UCl was calculated to be an Ω = 7/2 state at 78 cm(-1) as opposed to the same state at 435 cm(-1) in UF, and the other low-lying states of UCl showed a similar compression relative to UF. Likewise, UF(+) and UCl(+) both have Ω = 4 ground states and the manifold of low-lying excited Ω = 3, 2, 1, 0 states was energetically closer together in UCl(+) than in UF(+), ranging up to 776 cm(-1) in UF(+) and only 438 cm(-1) in UCl(+). As in previous studies, the final PP-based SO-CASPT2 results for UF(+) and UF agree well with experiment and are expected to be predictive for UCl and UCl(+), which are reported here for the first time.

  2. Theoretical spectroscopy study of the low-lying electronic states of UX and UX{sup +}, X = F and Cl

    Energy Technology Data Exchange (ETDEWEB)

    Bross, David H.; Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)

    2015-11-14

    Spectroscopic constants (T{sub e}, r{sub e}, B{sub 0}, ω{sub e}, and ω{sub e}x{sub e}) have been calculated for the low-lying electronic states of UF, UF{sup +}, UCl, and UCl{sup +} using complete active space 2nd-order perturbation theory (CASPT2), with a series of correlation consistent basis sets. The latter included those based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess Hamiltonians for the U atom. Spin orbit (SO) effects were included a posteriori using the state interacting method using both PP and Breit Pauli (BP) operators, as well as from exact two-component methods for U{sup +} and UF{sup +}. Complete basis set (CBS) limits were obtained by extrapolation where possible and the PP and BP calculations were compared at their respective CBS limits. The PP-based method was shown to be reliable in calculating spectroscopic constants, in particular when using the state interacting method with CASPT2 energies (SO-CASPT2). The two component calculations were limited by computational resources and could not include electron correlation from the nominally closed shell 6s and 6p orbitals of U. UF and UCl were both calculated to have Ω = 9/2 ground states. The first excited state of UCl was calculated to be an Ω = 7/2 state at 78 cm{sup −1} as opposed to the same state at 435 cm{sup −1} in UF, and the other low-lying states of UCl showed a similar compression relative to UF. Likewise, UF{sup +} and UCl{sup +} both have Ω = 4 ground states and the manifold of low-lying excited Ω = 3, 2, 1, 0 states was energetically closer together in UCl{sup +} than in UF{sup +}, ranging up to 776 cm{sup −1} in UF{sup +} and only 438 cm{sup −1} in UCl{sup +}. As in previous studies, the final PP-based SO-CASPT2 results for UF{sup +} and UF agree well with experiment and are expected to be predictive for UCl and UCl{sup +}, which are reported here for the first time.

  3. Pure QCD in small volumes and the low lying glueball spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Korthals Altes, C.P. (Centre National de la Recherche Scientifique, 13 - Marseille (France). Centre de Physique Theorique 2)

    1989-07-01

    We give a pedagogical review of perturbative calculations in small volumes of the low-lying glueball mass-spectrum. Various boundary conditions are compared. Twisted boundary conditions, respecting cubic invariance, are shown to be very useful in obtaining numerical mass-spectra. (orig.).

  4. Low-lying Regge trajectory and polarizations in. pi. /sup +/P elastic reaction at intermediate energy

    Energy Technology Data Exchange (ETDEWEB)

    Girardi, G.; Navelet, H.

    1976-07-01

    In this note we examine how a low-lying Regge trajectory provides a natural explanation of the departure from mirror symmetry in the ..pi..N elastic-scattering polarization at intermediate energy. This result confirms the conjecture of Dash and Navelet, who invoke the same mechanism in NN scattering. (AIP)

  5. Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory.

    Science.gov (United States)

    Mennucci, Benedetta; Cappelli, Chiara; Guido, Ciro Achille; Cammi, Roberto; Tomasi, Jacopo

    2009-04-02

    This paper provides an overview of recent research activities concerning the quantum-mechanical description of structures and properties of electronically excited chromophores in solution. The focus of the paper is on a specific approach to include solvent effects, namely the polarizable continuum model (PCM). Such a method represents an efficient strategy if coupled to proper quantum-mechanical descriptions such as the time-dependent density functional theory (TDDFT). As a result, the description of molecules in the condensed phase can be extended to excited states still maintaining the computational efficiency and the physical reliability of the ground-state calculations. The most important theoretical and computational aspects of the coupling between PCM and TDDFT are presented and discussed together with an example of application to the study of the low-lying electronic excited states of push-pull chromophores in different solvents.

  6. Measurements of competing structures in neutron-deficient Pb isotopes by employing Coulomb excitation

    CERN Multimedia

    Bastin, B; Kruecken, R; Larsen, A; Rahkila, P J; Srebrny, J; Clement, E; Wadsworth, R; Syed naeemul, H; Peura, P J; Siem, S; Hadynska-klek, K; Habs, D; Napiorkowski, P J; Diriken, J V J; Iwanicki, J S

    Coulomb excitation measurements to study the shape coexistence and quadrupole collectivity of the low-lying levels in neutron-deficient Pb nuclei are proposed. Even-mass $^{188−192}$Pb nuclei will be post-accelerated at REX-ISOLDE in order to measure transition probabilities and quadrupole moments for the first excited states. In combination with results obtained in lifetime measurements, this will allow the sign of the quadrupole deformation parameter to be extracted for the first time for 2$^{+}$ states in the even-mass $^{188−192}$Pb nuclei.

  7. Study of excited nucleons and their structure

    Energy Technology Data Exchange (ETDEWEB)

    Burkert, Volker D. [JLAB, Newport News, VA (United States)

    2014-01-01

    Recent advances in the study of excited nucleons are discussed. Much of the progress has been achieved due to the availability of high precision meson production data in the photoproduction and electroproduction sectors, the development of multi-channel partial wave analysis techniques, and advances in Lattice QCD with predictions of the full excitation spectrum.

  8. Low-lying Resonances and Relativistic Screening in Big Bang Nucleosynthesis

    CERN Document Server

    Famiano, Michael A; Kajino, Toshitaka

    2016-01-01

    We explore effects of the screening due to the relativistic electron-positron plasma and presence of resonances in the secondary reactions leading to A=7 nuclei during the Big Bang Nucleosynthesis. In particular, we investigate and examine possible low-lying resonances in the 7Be(3He, g)10C reaction and examine the resultant destruction of 7Be for various resonance locations and strengths. While a resonance in the 10C compound nucleus is thought to have negligible effects we explore the possibility of an enhancement from plasma screening that may adjust the final 7Be abundance. We find the effects of relativistic screening and possible low-lying resonances to be relatively small in the standard Early Universe models.

  9. Jet-cooled laser-induced dispersed fluorescence spectroscopy of NiC: Observation of low-lying Ω = 0+ state

    Science.gov (United States)

    Mukund, Sheo; Yarlagadda, Suresh; Bhattacharyya, Soumen; Nakhate, S. G.

    2014-01-01

    Laser-induced dispersed fluorescence spectra of 58Ni12C molecules, produced in a free-jet apparatus, have been studied. A new low-lying Ω = 0+ state has been observed at Te = 5178 (6) cm-1. Based on previous ab initio calculations this state is plausibly assigned as 0+ spin-orbit component of the first excited 3 Π state. The term energies of vibrational levels up to v = 10 for X1Σ+ ground and v = 3 for Ω = 0+ states have been determined. The harmonic and anharmonic wavenumbers respectively equal to 833 (4) and 6.7 (13) cm-1 for Ω = 0+ state have been measured.

  10. Slow effects of fast harmonic excitation for elastic structures

    DEFF Research Database (Denmark)

    Tcherniak, Dmitri; Thomsen, Jon Juel

    1998-01-01

    High-frequency excitation may affect the 'slow' behavior of a dynamical system. For example, equilibria may move, disappear, or gain or loose stability. We consider such slow effects of fast excitation for a simple mechanical system that incorporates features of many engineering structures. The s....... The study is intended to contribute to the general understanding of periodically excited linear and nonlinear systems, as well as to the current attempts to utilize high-frequency excitation for altering the low-frequency properties of structures....

  11. Time-Dependent Density Functional Theory Study of Low-Lying Absorption and Fluorescence Band Shapes for Phenylene-Containing Oligoacenes.

    Science.gov (United States)

    Jun, Ye

    2015-12-24

    Low-lying band shapes of absorption and fluorescence spectra for a member of a newly synthesized family of phenylene-containing oligoacenes (POA 6) reported in J. Am. Chem. Soc. 2012 , 134 , 15351 are studied theoretically with two different approaches with TIPS-anthracene as a comparison. Underlying photophysics and exciton-phonon interactions in both molecules are investigated in details with the aid of the time-dependent density functional theory and multimode Brownian oscillator model. The first two low-lying excited-states of POA 6 were found to exhibit excitation characteristics spanning entire conjugated backbone despite the presence of antiaromatic phenylene section. Absorption and fluorescence spectra calculated from both time-dependent density functional theory and multimode Brownian oscillator model are shown to reach good agreement with experimental ones. The coupling between phonon modes and optical transitions is generally weak as suggested by the multimode Brownian oscillator model. Broader peaks of POA 6 spectra are found to relate to stronger coupling between low frequency phonon modes such as backbone twisting (with frequency <300 cm(-1)) and optical transitions. Furthermore, POA 6 exhibits weaker exciton-phonon coupling for the phonon modes above 1000 cm(-1) compared to TIPS-anthracene owing to extended conjugated backbone. A significant coupling between an in-plane breathing mode localized around the antiaromatic phenylene segment with frequency at 1687 cm(-1) and optical transitions for the first two excited-states of POA 6 is also observed.

  12. Condition assessment of structures under unknown support excitation

    Institute of Scientific and Technical Information of China (English)

    Zhang Kun; S. S. Law; Duan Zhongdong

    2009-01-01

    A new method is proposed to assess the condition of structures under unknown support excitation by simultaneously detecting local damage and identifying the support excitation from several structural dynamic responses. The support excitation acting on a structure is modeled by orthogonal polynomial approximations, and the sensitivities of structural dynamic response with respect to its physical parameters and orthogonal coefficients are derived. The identification equation is based on Taylor's first order approximation, and is solved with the damped least-squares method in an iterative procedure. A fifteen-story shear building model and a five-story three-dimensional steel frame structure are studied to validate the proposed method. Numerical simulations with noisy measured accelerations show that the proposed method can accurately detect local damage and identify unknown support excitation from only several responses of the structure. This method provides a new approach for detecting structural damage and updating models with unknown input and incomplete measured output information.

  13. Forbidden Transition Probabilities of Astrophysical Interest among Low-lying States of V III

    Indian Academy of Sciences (India)

    Andrei Irimia

    2007-06-01

    Electric and magnetic multipole transitions among low-lying states of doubly ionized vanadium were computed using the multi-configuration Hartree–Fock (MCHF) method with Breit–Pauli (BP) corrections to a non-relativistic Hamiltonian. Energy levels were determined up to and including 32(1)4 b 27/2 and computed energies were found to be in good agreement with experiment and other theories. In addition to Einstein coefficients for some E2 and M1 transitions, lifetime data and selected weighted oscillator strengths are also reported.

  14. A New Approach to Solve the Low-lying States of the Schroedinger Equation

    CERN Document Server

    Lee Tsung Dao

    2005-01-01

    We review a new iterative procedure to solve the low-lying states of the Schroedinger equation, done in collaboration with Richard Friedberg. For the groundstate energy, the $n^{th}$ order iterative energy is bounded by a finite limit, independent of $n$; thereby it avoids some of the inherent difficulties faced by the usual perturbative series expansions. For a fairly large class of problems, this new procedure can be proved to give convergent iterative solutions. These convergent solutions include the long standing difficult problem of a quartic potential with either symmetric or asymmetric minima.

  15. The low-lying rotational bands of the neutron-rich nucleus 172Tm

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The microscopic mechanism of four experimentally observed bands in 172Tm is investigated using the particle-number conserving method of the cranked shell model with monopole and quadrupole paring interactions.The experimental results,including the moments of inertia and angular momentum alignments of four bands in 172Tm are reproduced well by the particle-number conserving calculations.The ω variation of the occupation probability of each cranked orbital and the contribution to moment of inertia from each cranked orbital are analyzed.Other unobserved low-lying bands of 2-quansiparticles in 172Tm are predicted.

  16. The low-lying rotational bands of the neutron-rich nucleus 172Tm

    Institute of Scientific and Technical Information of China (English)

    CHEN BaoRen; LI Tao; LIU ShuXin

    2009-01-01

    The microscopic mechanism of four experimentally observed bands in 172Tm is investigated using the particle-number conserving method of the cranked shell model with monopole and quadrupole paring interactions.The experimental results,including the momenta of inertia and angular momentum alignments of four bands in 172Tm are reproduced well by the particle-number conserving calculations.The ω variation of the occupation probability of each cranked orbital and the contribution to moment of inertia from each cranked orbital are analyzed.Other unobserved low-lying bands of 2-quansiparticles in 172Tm are predicted.

  17. Proton core polarization in low-lying states of 86Sr

    Science.gov (United States)

    Connelly, J. P.; Milliman, T. E.; Heisenberg, J. H.; Hersman, F. W.; Wise, J. E., III; Papanicolas, C. N.

    1990-11-01

    Electron-scattering cross sections, measured between 0.4 and 3.1 fm-1, have been unfolded to obtain charge transition densities for the low-lying 2+, 4+, 6+, and 8+ states in 86Sr. A comparison is made to analogous levels in 92Mo. Angular momentum recoupling in the 1g9/2 shell of two protons in 92Mo and two neutron holes in 86Sr are the dominant configurations for these levels. Proton core polarization in 86Sr neutron valence transitions diminishes with increasing multipolarity, indicating the residual interaction weakens with increasing momentum transfer.

  18. STS-31 Discovery, OV-103, is hidden in low-lying clouds after KSC liftoff

    Science.gov (United States)

    1990-01-01

    STS-31 Discovery, Orbiter Vehicle (OV) 103, is hidden in low-lying cloud cover as it rises above Kennedy Space Center (KSC) Launch Complex (LC) Pad 39B just after its liftoff at 8:33:51.0492 am (Eastern Daylight Time (EDT)). The glow of the solid rocket booster (SRB) and the space shuttle main engine (SSME) firings appears just below the cloud cover and is reflected in the nearby waterway (foreground). An exhaust plume trails from OV-103 and its SRBs and covers the launch pad area.

  19. STS-31 Discovery, OV-103, rockets through low-lying clouds after KSC liftoff

    Science.gov (United States)

    1990-01-01

    STS-31 Discovery, Orbiter Vehicle (OV) 103, rides above the firey glow of the solid rocket boosters (SRBs) and space shuttle main engines (SSMEs) and a long trail of exhaust as it heads toward Earth orbit. Kennedy Space Center (KSC) Launch Complex (LC) Pad 39B is covered in an exhaust cloud moments after the liftoff of OV-103 at 8:33:51.0492 am (Eastern Daylight Time (EDT)). The exhaust plume pierces the low-lying clouds as OV-103 soars into the clear skies above. A nearby waterway appears in the foreground.

  20. New blue emissive conjugated small molecules with low lying HOMO energy levels for optoelectronic applications

    Science.gov (United States)

    Trupthi Devaiah, C.; Hemavathi, B.; Ahipa, T. N.

    2017-03-01

    Versatile conjugated small molecules bearing cyanopyridone core (CP1-5), composed of various donor/acceptor moieties at position - 4 and - 6 have been designed, developed and characterized. Their solvatochromic studies were conducted and analyzed using Lippert-Mataga, Kamlet-Taft and Catalan solvent scales and interesting results were obtained. The polarizability/dipolarity of the solvent greatly influenced the spectra. The electrochemical studies were carried out using cyclic voltammetry to calculate the HOMO-LUMO energy levels. The study revealed that the synthesized conjugated small molecules possess low lying HOMO energy levels which can be exploited for application in various fields of optoelectronics.

  1. A model of low-lying states in strongly interacting electroweak symmetry-breaking sector

    CERN Document Server

    Han, T; Hung, P Q; Han, Tao; Huang, Zheng; Hung, P Q

    1994-01-01

    We present a tumbling scenario for the generation of low-lying states in a strongly interacting electroweak sector. The dynamical calculation using the N/D method indicates that when the interactions among the Goldstone and Higgs bosons become sufficiently strong, an axial vector state A_1 [I^G(J^P)=1^-(1^+)] emerges. The coexistence of vector states V [1^+(1^-)] and \\omega_H [0^-(1^-)] is suggested by requiring the proper Regge behavior of the forward scattering. These states may lead to distinctive experimental signatures at the future colliders.

  2. Low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W).

    Science.gov (United States)

    Li, Shenggang; Dixon, David A

    2007-11-01

    Multiple low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W) arise from the occupation of the near-degenerate low-lying virtual orbitals in the neutral clusters. We used density functional theory (DFT) and coupled cluster theory (CCSD(T)) with correlation consistent basis sets to study the structures and energetics of the electronic states of these anions. The adiabatic and vertical electron detachment energies (ADEs and VDEs) of the anionic clusters were calculated with 27 exchange-correlation functionals including one local spin density approximation functional, 13 generalized gradient approximation (GGA) functionals, and 13 hybrid GGA functionals, as well as the CCSD(T) method. For M(3)O(9)(-), CCSD(T) and nearly all of the DFT exchange-correlation functionals studied predict the (2)A(1) state arising from the Jahn-Teller distortion due to singly occupying the degenerate e' orbital to be lower in energy than the (2)A(1)' state arising from singly occupying the nondegenerate a(1)' orbital. For W(3)O(9)(-), the (2)A(1) state was predicted to have essentially the same energy as the (2)A(1)' state at the CCSD(T) level with core-valence correlation corrections included and to be higher in energy or essentially isoenergetic with most DFT methods. The calculated VDEs from the CCSD(T) method are in reasonable agreement with the experimental values for both electronic states if estimates for the corrections due to basis set incompleteness are included. For M(3)O(9)(2-), the singlet state arising from doubly occupying the nondegenerate a(1)' orbital was predicted to be the most stable state for both M = Mo and W. However, whereas M(3)O(9)(2-) was predicted to be less stable than M(3)O(9)(-), W(3)O(9)(2-) was predicted to be more stable than W(3)O(9)(-).

  3. A MAC based excitation frequency increasing method for structural topology optimization under harmonic excitations

    Directory of Open Access Journals (Sweden)

    Liu Tao

    2017-01-01

    Full Text Available This work is focused on the topology optimization of structures that are subjected to harmonic force excitation with prescribed frequency and amplitude. As an important objective of such a design problem, the natural resonance frequency of the structure is driven far away from the prescribed excitation frequency for the purpose of avoiding resonance and reducing the vibration level. Therefore when the excitation frequency is higher than the natural resonance frequency of the structure, the natural resonance frequency will decrease, then the optimum topology configuration will be distorted with large amount of gray elements. A MAC (Modal Assurance Criteria based excitation frequency increasing method is proposed to obtain a desired configuration. MAC is adopted here to track the natural resonance frequency which can provide the baseline reference for the current excitation frequency during the optimum iterative procedure. Then the excitation frequency increases progressively up to its originally prescribed value. By means of numerical examples, the proposed formulation can generate effective topology configurations which can avoid resonance.

  4. Structural dynamics of phenylisothiocyanate in the light-absorbing excited states: Resonance Raman and complete active space self-consistent field calculation study

    Energy Technology Data Exchange (ETDEWEB)

    Ouyang, Bing, E-mail: ouyangbing.zj@foxmail.com; Xue, Jia-Dan, E-mail: jenniexue@126.com; Zheng, Xuming, E-mail: zhengxuming126@126.com, E-mail: zxm@zstu.edu.cn, E-mail: fangwh@dnu.edu.cn [Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou 310018 (China); Fang, Wei-Hai, E-mail: zxm@zstu.edu.cn, E-mail: fangwh@dnu.edu.cn, E-mail: fangwh@dnu.edu.cn [Department of Chemistry, Beijing Normal University, Beijing 100875 (China)

    2014-05-21

    The excited state structural dynamics of phenyl isothiocyanate (PITC) after excitation to the light absorbing S{sub 2}(A′), S{sub 6}(A′), and S{sub 7}(A′) excited states were studied by using the resonance Raman spectroscopy and complete active space self-consistent field method calculations. The UV absorption bands of PITC were assigned. The vibrational assignments were done on the basis of the Fourier transform (FT)-Raman and FT-infrared measurements, the density-functional theory computations, and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohexane, acetonitrile, and methanol solvents were, respectively, obtained at 299.1, 282.4, 266.0, 252.7, 228.7, 217.8, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PITC. The results indicated that the structural dynamics in the S{sub 2}(A′), S{sub 6}(A′), and S{sub 7}(A′) excited states were very different. The conical intersection point CI(S{sub 2}/S{sub 1}) were predicted to play important role in the low-lying excited state decay dynamics. Two major decay channels were predicted for PITC upon excitation to the S{sub 2}(A′) state: the radiative S{sub 2,min} → S{sub 0} transition and the nonradiative S{sub 2} → S{sub 1} internal conversion via CI(S{sub 2}/S{sub 1}). The differences in the decay dynamics between methyl isothiocyanate and PITC in the first light absorbing excited state were discussed. The role of the intersystem crossing point ISC(S{sub 1}/T{sub 1}) in the excited state decay dynamics of PITC is evaluated.

  5. Structural dynamics of phenylisothiocyanate in the light-absorbing excited states: resonance Raman and complete active space self-consistent field calculation study.

    Science.gov (United States)

    Ouyang, Bing; Xue, Jia-Dan; Zheng, Xuming; Fang, Wei-Hai

    2014-05-21

    The excited state structural dynamics of phenyl isothiocyanate (PITC) after excitation to the light absorbing S2(A'), S6(A'), and S7(A') excited states were studied by using the resonance Raman spectroscopy and complete active space self-consistent field method calculations. The UV absorption bands of PITC were assigned. The vibrational assignments were done on the basis of the Fourier transform (FT)-Raman and FT-infrared measurements, the density-functional theory computations, and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohexane, acetonitrile, and methanol solvents were, respectively, obtained at 299.1, 282.4, 266.0, 252.7, 228.7, 217.8, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PITC. The results indicated that the structural dynamics in the S2(A'), S6(A'), and S7(A') excited states were very different. The conical intersection point CI(S2/S1) were predicted to play important role in the low-lying excited state decay dynamics. Two major decay channels were predicted for PITC upon excitation to the S2(A') state: the radiative S(2,min) → S0 transition and the nonradiative S2 → S1 internal conversion via CI(S2/S1). The differences in the decay dynamics between methyl isothiocyanate and PITC in the first light absorbing excited state were discussed. The role of the intersystem crossing point ISC(S1/T1) in the excited state decay dynamics of PITC is evaluated.

  6. Nonlinear excitations in two-dimensional molecular structures with impurities

    DEFF Research Database (Denmark)

    Gaididei, Yuri Borisovich; Rasmussen, Kim; Christiansen, Peter Leth

    1995-01-01

    We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence of the imp......We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence...... excitations. Analytical results are in good agreement with numerical simulations of the nonlinear Schrodinger equation....

  7. Hydrodynamic Excitation Forces on Floating Structures with Finite Displacements

    DEFF Research Database (Denmark)

    Andersen, Morten Thøtt; Nielsen, Søren R. K.

    2015-01-01

    excitation force is solely a function of time, hence the body is fixed in reference to the wave field. In this paper, the instantaneous position of the body is included in the calculation of the excitation force. Even though the displacement of the structure relative to a characteristic wavelength......This paper aims to present an extended version of the classic linear wave excitation force theory. Linear wave theory implies that the wave load is applied in the referential state of the structure. In reality, the load is acting in the dynamically altered state. In the classic notation the wave...

  8. Low-lying continuum states of drip-line Oxygen isotopes

    CERN Document Server

    Tsukiyama, Koshiroh; Fujimoto, Rintaro

    2010-01-01

    Low-lying continuum states of exotic oxygen isotopes are studied, by introducing the Continuum-Coupled Shell Model (CCSM) characterized by an infinite wall placed very far and by an interaction for continuum coupling constructed in a close relation to realistic shell-model interaction. Neutron emission spectra from exotic oxygen isotopes are calculated by the doorway-state approach in heavy-ion multi-nucleon transfer reactions. The results agree with experiment remarkably well, as an evidence that the continuum effects are stronger than $\\sim$1 MeV, consistently with the shell evolution in exotic nuclei. The results by this CCSM doorway-state approach are compared with calculations on neutron-scattering resonance peaks made within the CCSM phase-shift approach and also with those obtained in the Gamow shell model, by taking the same interaction. Remarkable similarities in peak energies and certain differences in widths are then obtained.

  9. Low-lying spectrum for lattice Dirac operators with twisted mass

    CERN Document Server

    Gattringer, C; Gattringer, Christof; Solbrig, Stefan

    2005-01-01

    We analyze the low-lying spectrum and eigenmodes of lattice Dirac operators with a twisted mass term. The twist term expels the eigenvalues from a strip in the complex plane and all eigenmodes obtain a non-vanishing matrix element with gamma-5. For a twisted Ginsparg-Wilson operator the spectrum is located on two arcs in the complex plane. Modes due to non-trivial topological charge of the underlying gauge field have their eigenvalues at the edges of these arcs and obey a remnant index theorem. For configurations in the confined phase we find that the twist mainly affects the zero modes, while the bulk of the spectrum is essentially unchanged.

  10. Remnant index theorem and low-lying eigenmodes for twisted mass fermions

    CERN Document Server

    Gattringer, C; Gattringer, Christof; Solbrig, Stefan

    2005-01-01

    We analyze the low-lying spectrum and eigenmodes of lattice Dirac operators with a twisted mass term. The twist term expels the eigenvalues from a strip in the complex plane and all eigenmodes obtain a non-vanishing matrix element with gamma-5. For a twisted Ginsparg-Wilson operator the spectrum is located on two arcs in the complex plane. Modes due to non-trivial topological charge of the underlying gauge field have their eigenvalues at the edges of these arcs and obey a remnant index theorem. For configurations in the confined phase we find that the twist mainly affects the zero modes, while the bulk of the spectrum is essentially unchanged.

  11. Transition probabilities and lifetimes of the low-lying levels of Fe XIV

    Institute of Scientific and Technical Information of China (English)

    Fan Jian-Zhong; Wang Qing-Min; Chang Zhi-Wei; Dong Chen-Zhong

    2012-01-01

    The multi-configuration Dirac-Fock method is employed to calculate the transition energies,probabilities,and oscillator strengths for electric dipole allowed (E1) and forbidden (M1,E2,M2) lines for the 3s23p,3s3p2,3s23d,3p3,and 3s3p3d configurations of Fe XIV.The lifetimes of all 40 levels of these low-lying configurations are also derived.The valence-valence and core-valence correlation effects are accounted for in a systematic way.Breit interactions and quantum electrodynamics (QED) effects are estimated in subsequent relativistic configuration interaction (CI)calculations.The present results are in good agreement with other available theoretical and experimental values,and therefore can be used for the further astrophysical investigations.

  12. Relations between low-lying quantum wave functions and solutions of the Hamilton-Jacobi equation

    CERN Document Server

    Friedberg, R; Zhao Wei Qin

    1999-01-01

    We discuss a new relation between the low lying Schroedinger wave function of a particle in a one-dimentional potential V and the solution of the corresponding Hamilton-Jacobi equation with -V as its potential. The function V is $\\geq 0$, and can have several minina (V=0). We assume the problem to be characterized by a small anhamornicity parameter $g^{-1}$ and a much smaller quantum tunneling parameter $\\epsilon$ between these different minima. Expanding either the wave function or its energy as a formal double power series in $g^{-1}$ and $\\epsilon$, we show how the coefficients of $g^{-m}\\epsilon^n$ in such an expansion can be expressed in terms of definite integrals, with leading order term determined by the classical solution of the Hamilton-Jacobi equation. A detailed analysis is given for the particular example of quartic potential $V={1/2}g^2(x^2-a^2)^2$.

  13. alpha. - d resonances and the low-lying states of sup 6 Li

    Energy Technology Data Exchange (ETDEWEB)

    Eskandarian, A.; Afnan, I.R. (School of Physical Sciences, The Flinders University of South Australia, Bedford Park, South Australia 5042 (Australia))

    1992-12-01

    The low-lying states (below the {sup 3}He-{sup 3}H threshold) of the {sup 6}Li nucleus are generated using three-body models with two-body nonlocal separable interactions between the constituent particles. The positions and widths of the states are determined by searching for the eigenvalues of the kernel of the Faddeev equations in the complex energy plane. When appropriate (for {ital T}=0 states only), the results are compared with a separate determination of these quantities from the {alpha}-{ital d} scattering process. All experimentally observed levels are found. Given that the Coulomb interaction is not included in our calculations, agreement with experiment is favorable for both the positions and the widths of the resonances.

  14. α-d resonances and the low-lying states of 6Li

    Science.gov (United States)

    Eskandarian, A.; Afnan, I. R.

    1992-12-01

    The low-lying states (below the 3-3H threshold) of the 6Li nucleus are generated using three-body models with two-body nonlocal separable interactions between the constituent particles. The positions and widths of the states are determined by searching for the eigenvalues of the kernel of the Faddeev equations in the complex energy plane. When appropriate (for T=0 states only), the results are compared with a separate determination of these quantities from the α-d scattering process. All experimentally observed levels are found. Given that the Coulomb interaction is not included in our calculations, agreement with experiment is favorable for both the positions and the widths of the resonances.

  15. Low-Lying Collective Levels in 224-234 Th Nuclei

    Directory of Open Access Journals (Sweden)

    Diab S. M.

    2008-04-01

    Full Text Available The low-lying collective levels in 224-234 Th isotopes are investigated in the frame work of the interacting boson approximation model (IBA-1. The contour plot of the potential energy surfaces, V(beta,gamma, shows two wells on the prolate and oblate sides which indicate that all thorium nuclei are deformed and have rotational characters. The levels energy, electromagnetic transition rates B(E1 and B(E2 are calculated. Bending at angular momentum $I^+ = 20$ has been observed for 230 Th. Staggering effect has been calculated and beat patterns are obtained which indicate the existence of an interaction between the ground state band, (GSB, and the octupole negative parity band, (NPB. All calculated values are compared with the available experimental data and show reasonable agreement.

  16. The fate of water deposited in the low-lying northern plains

    Science.gov (United States)

    Carr, M. H.

    1993-01-01

    Many large outflow channels terminate in the low-lying northern plains. If the outflow channels formed by running water, as appears likely, then standing bodies of water must have accumulated at the ends of the channels. Most of the observed channels, and hence the bodies of water, are post-Noachian. They formed after the period for which we have the most abundant evidence of climate change. While it has been speculated that the post-Noachian period has experienced large, episodic, climatic excursions, this paper takes the more conservative view that the climatic conditions on Mars, at least from mid-Hesperian onward, were mostly similar to the climatic conditions that prevail in the present epoch. Thus obliquity variations are taken into account, but massive climate changes induced by the floods are considered so improbable that they are ignored.

  17. Spectroscopy of low-lying states in neutron-deficient astatine and francium nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Jakobsson, U., E-mail: ulrjak@kth.se; Cederwall, B. [KTH, The Division of Nuclear Physics, AlbaNova University Center, SE-10691 Stockholm (Sweden); Uusitalo, J.; Auranen, K.; Badran, H.; Cox, D. M.; Grahn, T.; Greenlees, P. T.; Julin, R.; Juutinen, S.; Herzáň, A.; Konki, J.; Leino, M.; Mallaburn, M.; Pakarinen, J.; Papadakis, P.; Partanen, J.; Rahkila, P.; Sandzelius, M.; Sarén, J. [University of Jyvaskyla, Department of Physics, P.O. Box 35, FI-40014 University of Jyvaskyla (Finland); and others

    2015-10-15

    Low-lying states in neutron-deficient astatine and francium nuclei have been studied by means of in-beam and delayed spectroscopy. The 13/2{sup +} state has been observed in francium nuclei with a similar down-sloping trend as in neighbouring astatine and bismuth isotopes, as a function of decreasing neutron number. A systematic trend can also now be seen for the 1/2{sup +} state both in astatine and francium nuclei, where the level energy decreases steeply as a function of neutron number when moving further away from the neutron shell closure. This trend is very similar between astatine nuclei and their francium isotones. Moreover, shape coexistence has been observed between the 13/2{sup +} state and the spherical 9/2{sup −} ground state in {sup 203}Fr and {sup 205}Fr.

  18. Beyond-mean-field approach to low-lying spectra of $\\Lambda$ hypernuclei

    CERN Document Server

    Hagino, K; Yao, J M; Motoba, T

    2015-01-01

    Taking the hypernucleus $^{13}_{~\\Lambda}$C as an example, we illustrate the miscroscopic particle-rotor model for low-lying spectra of hypernuclei. This approach is based on the beyond-mean-field method, with the particle number and angular momentum projections. The quantum fluctuation of the mean-field is also taken into account for the core nucleus using the generator coordinate method. We show that the impurity effect of $\\Lambda$ hyperon, such as a change in $B(E2)$, is well described with this model. Our calculation indicates that the most important impurity effect in $sd$-shell hypernuclei is a change in a deformation parameter rather than in a nuclear size.

  19. Background of Existence of the Two Low-Lying Adjacent 4+ Narrow Resonances in 16O Nucleus and Other 4-Boson Systems

    Institute of Scientific and Technical Information of China (English)

    BAO Cheng-Guang

    2001-01-01

    Based on an analysis of the inherent nodal structures of wavefunctions of 4-boson systems, we found that the internal energy of the 41+ state should be lower because its structure can be optimized without suffering a strong constraint arising from symmetry (while other 1≤L≤3 states suffer from this kind of constraint). Furthermore,two superior structures favourable in binding are found to be allowed to be possessed by 4+ states. These findings would lead to the appearance of two adjacent 4+ states, as a common feature, in the low-lying spectra of 4-boson systems.

  20. Nonlinear and Variable Structure Excitation Controller for Power System Stability

    Institute of Scientific and Technical Information of China (English)

    Wang Ben; Ronnie Belmans

    2006-01-01

    A new nonlinear variable structure excitation controller is proposed. Its design combines the differential geometry theory and the variable structure controlling theory. The mathematical model in the form of "an affine nonlinear system" is set up for the control of a large-scale power system. The static and dynamic performances of the nonlinear variable structure controller are simulated. The response of system with the controller proposed is compared to that of the nonlinear optimal controller when the system is subjected to a variety of disturbances. Simulation results show that the nonlinear variable structure excitation controller gives more satisfactorily static and dynamic performance and better robustness.

  1. STRUCTURE OF WAVE FRONT AND ORGANIZATION CENTER IN EXCITABLE MEDIA

    Institute of Scientific and Technical Information of China (English)

    刘深泉

    2004-01-01

    With help of establishing the moving coordinate on the wave front surface and the perturbation analysis in the boundary layer, the structures of wave front and organization center in excitable media were studied. The eikonal equation of wave front surface and general equation of organization center were obtained. These eikonal equations reveal the wave front surfaces have structures of twisted scroll wave and Mobius band, the organization centers have structures of knotted and linked ring. These theoretical results not only explain the wave patterns of BZ ( Belousov-Zhabotinskii ) chemical reaction but also give several possibility structures of wave front surface and organization center in general excitable media.

  2. Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers.

    Science.gov (United States)

    Dahlke, Erin E; Olson, Ryan M; Leverentz, Hannah R; Truhlar, Donald G

    2008-05-01

    Water hexamers provide a critical testing ground for validating potential energy surface predictions because they contain structural motifs not present in smaller clusters. We tested the ability of 11 density functionals (four of which are local and seven of which are nonlocal) to accurately predict the relative energies of a series of low-lying water hexamers, relative to the CCSD(T)/aug'-cc-pVTZ level of theory, where CCSD(T) denotes coupled cluster theory with an interative treatment of single and double excitations and a quasi-perturbative treatment of connected triple excitations. Five of the density functionals were tested with two different basis sets, making a total of 16 levels of density functional theory (DFT) tested. When single-point energy calculations are carried out on geometries obtained with second-order Møller-Plesset perturbation theory (MP2), only three density functionals, M06-L, M05-2X, and M06-2X, are able to correctly predict the relative energy ordering of the hexamers. These three functionals predict that the range of energies spanned by the six isomers is 3.2-5.6 kcal/mol, whereas the other eight functionals predict ranges of 1.0-2.4 kcal/mol; the benchmark value for this range is 3.1 kcal/mol. When the hexamers are optimized at each level of theory, all methods are able to reproduce the MP2 geometries well for all isomers except the boat and bag isomers, and DFT optimization changes the energy ordering for seven of the 16 methods tested. The addition of zero-point energy changes the energy ordering for all of the density functionals studied except for M05-2X and M06-2X. The variation in relative energies predicted by the different methods highlights the necessity for exercising caution in the choice of density functionals used in future studies. Of the 11 density functionals tested, the most accurate results for energies were obtained with the PWB6K, MPWB1K, and M05-2X functionals.

  3. Frequency detuning effects for parametrically and directly excited elastic structures

    DEFF Research Database (Denmark)

    Neumeyer, Stefan; van Gastel, M. H. M.; Sorokin, Vladislav

    2015-01-01

    numerical integration and experiments showing good agreement. For frequency detuned superthreshold parametric excitation some of the theoretical frequency-amplitude solution branches appear to merge. For some ranges of parametric excitation frequency a drop in experimental steady-state vibration amplitude...... was found, indicating performance degradation whereas for other frequency ranges, frequency detuning may yield an increased steady-state vibration amplitude. This makes frequency detuning a feature which can purposefully be avoided or utilized, dependent on the application.......This study investigates the frequency detuning effects of parametric and direct excitation for near-resonant nonlinear structural vibrations. Specifically, the detuning effects of a two-to-one frequency ratio between the parametric and direct excitation, and of a drift in natural frequency...

  4. Generalized Minimum Variance Control for MDOF Structures under Earthquake Excitation

    Directory of Open Access Journals (Sweden)

    Lakhdar Guenfaf

    2016-01-01

    Full Text Available Control of a multi-degree-of-freedom structural system under earthquake excitation is investigated in this paper. The control approach based on the Generalized Minimum Variance (GMV algorithm is developed and presented. Our approach is a generalization to multivariable systems of the GMV strategy designed initially for single-input-single-output (SISO systems. Kanai-Tajimi and Clough-Penzien models are used to generate the seismic excitations. Those models are calculated using the specific soil parameters. Simulation tests using a 3DOF structure are performed and show the effectiveness of the control method.

  5. Photo-excited terahertz switch based on composite metamaterial structure

    Science.gov (United States)

    Wang, Guocui; Zhang, Jianna; Zhang, Bo; He, Ting; He, Yanan; Shen, Jingling

    2016-09-01

    A photo-excited terahertz switch based on a composite metamaterial structure was designed by integration of photoconductive silicon into the gaps of split-ring resonators. The conductivity of the silicon that was used to fill the gaps in the split-ring resonators was tuned dynamically as a function of the incident pump power using laser excitation, leading to a change in the composite metamaterial structure's properties. We studied the transmission characteristics of the composite metamaterial structure for various silicon conductivities, and the results indicated that this type of composite metamaterial structure could be used as a resonance frequency tunable terahertz metamaterial switch. We also designed other structures by filling different gaps with silicon, and proved that these structures could be used as terahertz metamaterial switches can change the working mode from a single frequency to multiple frequencies.

  6. Highly charged ions in Penning traps, a new tool for resolving low lying isomeric states

    CERN Document Server

    Gallant, A T; Brunner, T; Chowdhury, U; Ettenauer, S; Simon, V V; Mané, E; Simon, M C; Andreoiu, C; Delheij, P; Gwinner, G; Pearson, M R; Ringle, R; Dilling, J

    2011-01-01

    The use of highly charged ions greatly increases the precision and resolving power, in particular for short-lived species produced at on-line radio-isotope beam facilities, achievable with Penning trap mass spectrometers. This increase in resolving power provides a new and unique access to resolving low-lying long-lived ($T_{1/2} > 50$ ms) nuclear isomers. Recently, the $111.19(22)$ keV (determined from $\\gamma$-ray spectroscopy) isomeric state in $^{78}$Rb has been resolved from the ground state, in a charge state of $q=8+$ with the TITAN Penning trap at the TRIUMF-ISAC facility. The energy level of the isomer was measured to be $108.7(6.4)$ keV above the ground state. The extracted masses for both the ground and isomeric states, and their difference, agree with the AME2003 and Nuclear Data Sheet values. This proof of principle measurement demonstrates the feasibility of using Penning trap mass spectrometers coupled to charge breeders to study nuclear isomers and opens a new route for isomer searches.

  7. Numerical simulation of a low-lying barrier island's morphological response to Hurricane Katrina

    Science.gov (United States)

    Lindemer, C.A.; Plant, N.G.; Puleo, J.A.; Thompson, D.M.; Wamsley, T.V.

    2010-01-01

    Tropical cyclones that enter or form in the Gulf of Mexico generate storm surge and large waves that impact low-lying coastlines along the Gulf Coast. The Chandeleur Islands, located 161. km east of New Orleans, Louisiana, have endured numerous hurricanes that have passed nearby. Hurricane Katrina (landfall near Waveland MS, 29 Aug 2005) caused dramatic changes to the island elevation and shape. In this paper the predictability of hurricane-induced barrier island erosion and accretion is evaluated using a coupled hydrodynamic and morphodynamic model known as XBeach. Pre- and post-storm island topography was surveyed with an airborne lidar system. Numerical simulations utilized realistic surge and wave conditions determined from larger-scale hydrodynamic models. Simulations included model sensitivity tests with varying grid size and temporal resolutions. Model-predicted bathymetry/topography and post-storm survey data both showed similar patterns of island erosion, such as increased dissection by channels. However, the model under predicted the magnitude of erosion. Potential causes for under prediction include (1) errors in the initial conditions (the initial bathymetry/topography was measured three years prior to Katrina), (2) errors in the forcing conditions (a result of our omission of storms prior to Katrina and/or errors in Katrina storm conditions), and/or (3) physical processes that were omitted from the model (e.g., inclusion of sediment variations and bio-physical processes). ?? 2010.

  8. Low-lying baryon spectrum with two dynamical twisted mass fermions

    Energy Technology Data Exchange (ETDEWEB)

    Alexandrou, C. [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Computation-based Science and Technology Research Center, Cyprus Institute, Nicosia (Cyprus); Baron, R.; Guichon, P. [CEA-Saclay, IRFU/Service de Physique Nucleaire, Gif-sur-Yvette (France); Carbonell, J.; Drach, V. [UJF/CNRS/IN2P3, Grenoble (France). Lab. de Physique Subatomique et Cosmologie; Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Korzec, T. [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Pene, O. [Paris-11 Univ., 91 - Orsay (France). Lab. de Physique Theorique

    2009-10-15

    The masses of the low lying baryons are evaluated using two degenerate flavors of twisted mass sea quarks corresponding to pseudo scalar masses in the range of about 270 MeV to 500 MeV. The strange valence quark mass is tuned to reproduce the mass of the kaon in the physical limit. The tree-level Symanzik improved gauge action is employed. We use lattices of spatial size 2.1 fm and 2.7 fm at two values of the lattice spacing with r{sub 0}/a=5.22(2) and r{sub 0}/a=6.61(3). We check for both finite volume and cut-off effects on the baryon masses. We performed a detailed study of the chiral extrapolation of the octet and decuplet masses using SU(2) {chi}PT. The lattice spacings determined using the nucleon mass at the physical point are consistent with the values extracted using the pion decay constant. We examine the issue of isospin symmetry breaking for the octet and decuplet baryons and its dependence on the lattice spacing. We show that in the continuum limit isospin breaking is consistent with zero, as expected. The baryon masses that we find after taking the continuum limit and extrapolating to the physical limit are in good agreement with experiment. (orig.)

  9. Searching for low-lying multi-particle thresholds in lattice spectroscopy

    CERN Document Server

    Mahbub, M Selim; Leinweber, Derek B; Williams, Anthony G

    2013-01-01

    We explore the Euclidean-time tails of odd-parity nucleon correlation functions in a search for the S-wave pion-nucleon scattering-state threshold contribution. The analysis is performed using 2+1 flavor 32^3 x 64 PACS-CS gauge configurations available via the ILDG. Correlation matrices composed with various levels of fermion source/sink smearing are used to project low-lying states. The consideration of 25,600 fermion propagators reveals the presence of more than one state in what would normally be regarded as an eigenstate-projected correlation function. This observation is in accord with the scenario where the eigenstates contain a strong mixing of single and multi-particle states but only the single particle component has a strong coupling to the interpolating field. Employing a two-exponential fit to the eigenvector-projected correlation function, we are able to confirm the presence of two eigenstates. The lower-lying eigenstate is consistent with a N-pi scattering threshold and has a relatively small co...

  10. The low-lying baryon spectrum with two dynamical twisted mass fermions

    CERN Document Server

    Alexandrou, C; Carbonell, J; Drach, V; Guichon, P; Jansen, K; Korzec, T; Pène, O

    2009-01-01

    The masses of the low lying baryons are evaluated using two degenerate flavors of twisted mass sea quarks corresponding to pseudo scalar masses in the range of about 270-500 MeV. The strange valence quark mass is tuned to reproduce the mass of the kaon in the physical limit. The tree-level Symanzik improved gauge action is employed. We use lattices of spatial size 2.1 fm and 2.7 fm at two values of the lattice spacing with $r_0/a=5.22(2)$ and $r_0/a=6.61(3)$. We check for both finite volume and cut-off effects on the baryon masses. We performed a detailed study of the chiral extrapolation of the octet and decuplet masses using SU(2) $\\chi$PT. The lattice spacings determined using the nucleon mass at the physical point are consistent with the values extracted using the pion decay constant. We examine the issue of isospin symmetry breaking for the octet and decuplet baryons and its dependence on the lattice spacing. We show that in the continuum limit isospin breaking is consistent with zero, as expected. The b...

  11. Probing single-particle and collective states in atomic nuclei with Coulomb excitation

    CERN Document Server

    DiJulio, Douglas

    A series of experiments and developments, related to stable and radioactive isotopes, have been carried out. These studies have focused on measuring the low-lying excitations of spherical and deformed nuclei using electromagnetic (Coulomb) excitation and also on developments in detector technology for upcoming radioactive ion beams facilities. The low-lying excitations in the nuclei 107,109Sn and 107In have been investigated using low-energy Coulomb excitation at the REX-ISOLDE facility at CERN. The measured reduced transition probabilities were compared to predictions of nuclear structure models. In addition, a relativistic Coulomb excitation experiment was carried out using the FRS at GSI with the nucleus 104Sn. These radioactive ion beam experiments provide important constraints for large-scale-shell-model calculations in the region of the doubly magic nucleus 100Sn. A stable Coulomb excitation experiment was also carried out in order to explore the properties of low-lying structures in the nucleus 170Er...

  12. Octupole correlations in low-lying states of 150Nd and 150Sm and their impact on neutrinoless double-beta decay

    CERN Document Server

    Yao, J M

    2016-01-01

    We present a generator-coordinate calculation, based on a relativistic energy-density functional, of the low-lying spectra in the isotopes $^{150}$Nd and $^{150}$Sm and of the nuclear matrix element that governs the neutrinoless double-beta decay of the first isotope to the second. We carefully examine the impact of octupole correlations on both nuclear structure and the double-beta decay matrix element. Octupole correlations turn out to reduce quadrupole collectivity in both nuclei. Shape fluctuations, however, dilute the effects of octupole deformation on the double-beta decay matrix element, so that the overall octupole-induced quenching is only about 7\\%.

  13. Robust structural design against self-excited vibrations

    CERN Document Server

    Spelsberg-Korspeter, Gottfried

    2013-01-01

    This book studies methods for a robust design of rotors against self-excited vibrations. The occurrence of self-excited vibrations in engineering applications if often unwanted and in many cases difficult to model. Thinking of complex systems such as machines with many components and mechanical contacts, it is important to have guidelines for design so that the functionality is robust against small imperfections. This book discusses the question on how to design a structure such that unwanted self-excited vibrations do not occur. It shows theoretically and practically that the old design rule to avoid multiple eigenvalues points toward the right direction and have optimized structures accordingly. This extends results for the well-known flutter problem in which equations of motion with constant coefficients occur to the case of a linear conservative system with arbitrary time periodic perturbations.

  14. A model electronic Hamiltonian to study low-lying electronic states of [Fe(bpy)3]2+ in aqueous solution.

    Science.gov (United States)

    Iuchi, Satoru

    2012-02-14

    A simple model electronic Hamiltonian to describe the potential energy surfaces of several low-lying d-d states of the [Fe(bpy)(3)](2+) complex is developed for use in molecular dynamics (MD) simulation studies. On the basis of a method proposed previously for first-row transition metal ions in aqueous solution, the model Hamiltonian is constructed using density functional theory calculations for the lowest singlet and quintet states. MD simulations are then carried out for the two spin states in aqueous solution in order to examine the performance of the model Hamiltonian. The simulation results indicate that the present model electronic Hamiltonian reasonably describes the potential energy surfaces of the two spin states of the aqueous [Fe(bpy)(3)](2+) system, while retaining sufficient simplicity for application in simulation studies on excited state dynamics.

  15. Comprehensive theoretical studies on the low-lying electronic states of NiF, NiCl, NiBr, and NiI.

    Science.gov (United States)

    Zou, Wenli; Liu, Wenjian

    2006-04-21

    The low-lying electronic states of the nickel monohalides, i.e., NiF, NiCl, NiBr, and NiI, are investigated by using multireference second-order perturbation theory with relativistic effects taken into account. For the energetically lowest 11 lambda-S states and 26 omega states there into, the potential energy curves and corresponding spectroscopic constants (vertical and adiabatic excitation energies, equilibrium bond lengths, vibrational frequencies, and rotational constants) are reported. The calculated results are grossly in very good agreement with those solid experimental data. In particular, the ground state of NiI is shown to be different from those of NiF, NiCl, and NiBr, being in line with the recent experimental observation. Detailed analyses are provided on those states that either have not been assigned or have been incorrectly assigned by previous experiments.

  16. Direct determination of ground-state transition widths of low-lying dipole states in 140Ce with the self-absorption technique

    Directory of Open Access Journals (Sweden)

    C. Romig

    2015-05-01

    Full Text Available The technique of self absorption has been applied for the first time to study the decay pattern of low-lying dipole states of 140Ce. In particular, ground-state transition widths Γ0 and branching ratios Γ0Γ to the ground state have been investigated in the energy domain of the pygmy dipole resonance. Relative self-absorption measurements allow for a model-independent determination of Γ0. Without the need to perform a full spectroscopy of all decay channels, also the branching ratio to the ground state can be determined. The experiment on 140Ce was conducted at the bremsstrahlung facility of the superconducting Darmstadt electron linear accelerator S-DALINAC. In total, the self-absorption and, thus, Γ0 were determined for 104 excited states of 140Ce. The obtained results are presented and discussed with respect to simulations of γ cascades using the DICEBOX code.

  17. Theoretical spectroscopic constants for the low-lying states of the oxides and sulfides of Mo and Tc

    Science.gov (United States)

    Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Pettersson, Lars G. M.; Siegbahn, Per E. M.

    1989-01-01

    Spectroscopic results were determined for the ground and low-lying states of the oxides and sulfides of Mo and Tc, using the single-reference-based modified coupled pair functional method of Ahlrichs et al. (1985) and Chong et al. (1986) and the multireference-based state-averaged CASSCF/MRCI method. Spectroscopic constants, dipole moments, Mulliken populations, and radiative lifetimes were calculated for selected low-lying states of these molecular systems. The spectroscopy of the MoS and TcS molecules was found to be quite analogous to the corresponding oxides.

  18. Theoretical study on the low-lying excited states of the phosphorus monoiodide (PI) including the spin-orbit coupling

    Science.gov (United States)

    Zhang, Xiaomei; Liu, Xiaoting; Liang, Guiying; Li, Rui; Xu, Haifeng; Yan, Bing

    2016-01-01

    The potential energy curves (PECs) of the 22 Λ-S states of the phosphorus monoiodide (PI) molecule have been calculated at the level of MRCI+Q method with correlation-consistent quadruple-ζ quality basis set. The spectroscopic constants of the bound states are determined, which well reproduce the available measurements. The metastable a1Δ state has been reported for the first time, which lies between the X3Σ- and b1Σ+ states and have much deeper well than the ground state. The R-dependent spin-orbit (SO) matrix elements are calculated with the full-electron Breit-Pauli operator. Based on the SO matrix elements, the perturbations that the 23Π state may suffer from are analyzed in detail. The SOC effect makes the original Λ-S states split into 51 Ω states. In the zero-field splitting of the ground state X3Σ-, the spin-spin coupling contribution (2.23 cm-1) is found to be much smaller compared to the spin-orbit coupling contribution (50 cm-1). The avoided crossings between the Ω states lead to much shallower potential wells and the change of dissociation relationships of the states. The Ω-state wavefunctions are analyzed depending on their Λ-S compositions, showing the strong interactions among several quasidegenerate Λ-S states of the same total SO symmetry. The transition properties including electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition moments (TMs), the Franck-Condon factors, the transition probabilities and the radiative lifetimes are computed for the transitions between Ω components of a1Δ and b1Σ+ states and ground state. The transition probabilities induced by the E1, E2, and M1 transitions are evaluated. The E2 makes little effect on transition probabilities. In contrast, the E1 transition makes the main contribution to the transition probability and the M1 transition also brings the influence that cannot be neglected. Finally, the radiative lifetimes are determined with the transition moments including E1 and M1. The lifetime of transition (2)0+-X10+ is evaluated at the level of millisecond, much smaller than that of the transition (2)0+-X21.

  19. Isotope low-dimensional structures elementary excitations and applications

    CERN Document Server

    Plekhanov, Vladimir G

    2012-01-01

    This Briefs volume describes the properties and structure of  elementary excitations in isotope low-dimensional structures. Without assuming prior knowledge of quantum physics, the present book provides the basic knowledge needed to understand the recent developments in the sub-disciplines of nanoscience isotopetronics, novel device concepts and materials for nanotechnology. It is the first and comprehensive interdisciplinary account of the newly developed scientific discipline isotopetronics.

  20. An updating method for structural dynamics models with unknown excitations

    Energy Technology Data Exchange (ETDEWEB)

    Louf, F; Charbonnel, P E; Ladeveze, P [LMT-Cachan (ENS Cachan/CNRS/Paris 6 University) 61, avenue du Prsident Wilson, F-94235 Cachan Cedex (France); Gratien, C [Astrium (EADS space transportation) - Service TE 343 66, Route de Verneuil, 78133 Les Mureaux Cedex (France)], E-mail: charbonnel@lmt.ens-cachan.fr, E-mail: ladeveze@lmt.ens-cachan.fr, E-mail: louf@lmt.ens-cachan.fr, E-mail: christian.gratien@astrium.eads.net

    2008-11-01

    This paper presents an extension of the Constitutive Relation Error (CRE) updating method to complex industrial structures, such as space launchers, for which tests carried out in the functional context can provide significant amounts of information. Indeed, since several sources of excitation are involved simultaneously, a flight test can be viewed as a multiple test. However, there is a serious difficulty in that these sources of excitation are partially unknown. The CRE updating method enables one to obtain an estimate of these excitations. We present a first application of the method using a very simple finite element model of the Ariane V launcher along with measurements performed at the end of an atmospheric flight.

  1. EXTRACTING MODAL PARAMETERS FROM STRUCTURES UNDERGOING AMBIENT EXCITATION

    Institute of Scientific and Technical Information of China (English)

    华宏星; 陈之炎; 傅志方; 李中付; 宋汉文

    2001-01-01

    On Line Parameter Identification Technique (OLPIT) was presented according to ambient excitation characteristics and the response cross-correlation function that is a sum of decaying sinusoids of the same form as the impulse response function of the original system. OLPIT is a new method of identification modal parameters from response of structures under ambient excitation. OLPIT is different from NExT (natural excitation technique) based on ITD method in four aspects: ① The algorithm is improved by the singular-value decomposition (SVD). ② Multi-value of br in the Ibrahim Time Domain (ITD) is avoided. ③ OLPIT is used in both SIMO (single input, multi-output) and MIMO (multi input, multi-output). ④ The precision of modal parameter identificatioin is improved. The simulation studies demonstrate that the method is effective in identifying complex modes even with close frequencies and is robust to measurement noise.

  2. Electron impact excitation of the Ne II and Ne III fine structure levels

    Science.gov (United States)

    Wang, Q.; Loch, S. D.; Pindzola, M. S.; Cumbee, R.; Stancil, P. C.; Ballance, C. P.; McLaughlin, B. M.

    2016-05-01

    Electron impact excitation cross sections and rate coefficients of the low lying levels of the Ne II and Ne III ions are of great interest in cool molecular environments including young stellar objects, photodissociation regions, active galactic nuclei, and X-ray dominated regions. We have carried out details computations for cross sections and rate coefficients using the Dirac R-matrix codes (DARC), the Breit-Pauli R-matrix codes (BP) and the Intermediate Coupling Frame Transformation (ICFT) codes, for both Ne II and Ne III. We also compare our results with previous calculations. We are primarily interested in rate coefficients in the temperature range below 1000 K, and the focus is on obtaining the most accurate rate coefficients for those temperatures. We present both a recommended set of effective collision strengths and an indication of the uncertainties on these values. Work at Auburn University and UGA partly supported by NASA Grant NNX15AE47G.

  3. Excitations in superfluid systems: contributions of the nuclear structure; Excitations dans les systemes superfluides: contributions de la structure nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Khan, E

    2005-12-15

    The author presents successively the theoretical aspect, the experimental aspect and the applied aspect of excitations in nuclear structures. The quasi-particle random phase approximation (QRPA) tool is first described. Recent approaches on QRPA are based on the theory of the density function where the ground state and excited states are described from the same nucleon-nucleon interaction. 2 methods for measuring the collective excitations are then presented: the proton scattering that has the potentiality to investigate the evolution of magicity, the second method is in fact a new method for measuring the giant mono-polar resonance (GMP) in exotic nuclei. Nuclear reactions are considered as a compulsory step on the way from observables like cross-sections to nuclear structure. The author highlights the assets of the convolution model that can generate the optical potential from the effective nucleon-nucleon interaction and from proton and neutron densities of the nuclei involved. R-processes in nucleosynthesis and neutron stars are reviewed as applications of collective excitations in the field of nuclear astrophysics. (A.C.)

  4. Peak earthquake response of structures under multi-component excitations

    Institute of Scientific and Technical Information of China (English)

    Jianwei Song; Zach Liang; Yi-Lun Chu; George C.Lee

    2007-01-01

    Accurate estimation of the peak seismic responses of structures is important in earthquake resistant design.The internal force distributions and the seismic responses of structures are quite complex,since ground motions are multidirectional.One key issue is the uncertainty of the incident angle between the directions of ground motion and the reference axes of the structure.Different assumed seismic incidences can result in difierent peak values within the scope of design spectrum analysis for a given structure and earthquake ground motion record combination.Using time history analysis to determine the maximum structural responses excited by a given earthquake record requires repetitive calculations to determine the critical incident angle.This paper presents a transformation approach for relatively accurate and rapid determination of the maximum peak responses of a linear structure subjected to three-dimensional excitations within all possible seismic incident angles.The responses can be deformations,internal forces,strains and so on.An irregular building structure model is established using SAP2000 program.Several typical earthquake records and an artificial white noise are applied to the structure model to illustrate the variation of the maximum structural responses for different incident angles.Numerical results show that for many structural parameters,the variation can be greater than 100%.This method can be directly applied to time history analysis of structures using existing computer software to determine the peak responses without carrying out the analyses for all possible incident angles.It can also be used to verify and/or modify aseismic designs by using response spectrum analysis.

  5. Modal Testing of Mechanical Structures Subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.;

    2000-01-01

    Operational Modal Analysis also known as Output Only Modal Analysis has in the recent years been used for extracting modal parameters of civil engineering structures and is now becoming popular for mechanical structures. The advantage of the method is that no artificial excitation need...... to the Operational Modal Analysis. For Operational Modal Analysis two different estimation techniques are used: a non-parametric technique based on Frequency Domain Decomposition (FDD), and a parametric technique working on the raw data in time domain, a data driven Stochastic Subspace Identification (SSI) algorithm....... These are compared to other methods such as traditional Modal Analysis....

  6. The water budget of a coastal low-lying wetland area at the German Baltic Coast

    Science.gov (United States)

    Bronstert, Axel; Graeff, Thomas; Selle, Benny; Salzmann, Thomas; Franck, Christian; Miegel, Konrad

    2016-04-01

    that despite low slope, sandy soils and forest vegetation, the catchment's hydrology is dominated by quick discharge components, for which the near-surface groundwater and the reaction for open water surfaces are the main cause. The seasonality of the area's discharge is characterized by the formation of quick discharge components mainly during the winter half-year, and by the retention effect of the lowland/fen. This retention is especially high in summer, when the surface and ground water levels have decreased due to high evaporation rates and the discharge out of the area may cease. The magnitude of the area's outflow thus generally depends on the catchment's water level. Due to the possible backlog of surface water caused by high water levels of the Baltic Sea, the direction of flow may reverse episodically. In the subareas between the trenches of the lowland, vertical exchange processes from precipitation and evaporation dominate. The lateral sub-surface interaction from/to the Baltic Sea is rather small due to the particular low local subsurface hydraulic conductivity and the very small hydraulic gradient. In summary, it can be said that this coastal low-lying wetland in the restoration phase shows rather heterogeneous hydrological processes and water balance. Characteristic are the high relevance of the subsurface processes and a strong seasonal variation, i.e. very low discharge rates in summer (except for summer convective rain storms) and considerable discharge rates in winter. The anthropogenic interventions in those coastal areas during the last two centuries have changed their water balance exceedingly. The interaction with the Baltic Sea via groundwater exchange under the dunes is very small.

  7. Super-atom molecular orbital excited states of fullerenes.

    Science.gov (United States)

    Johansson, J Olof; Bohl, Elvira; Campbell, Eleanor E B

    2016-09-13

    Super-atom molecular orbitals are orbitals that form diffuse hydrogenic excited electronic states of fullerenes with their electron density centred at the centre of the hollow carbon cage and a significant electron density inside the cage. This is a consequence of the high symmetry and hollow structure of the molecules and distinguishes them from typical low-lying molecular Rydberg states. This review summarizes the current experimental and theoretical studies related to these exotic excited electronic states with emphasis on femtosecond photoelectron spectroscopy experiments on gas-phase fullerenes.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'.

  8. Theoretical spectroscopic parameters for the low-lying states of the second-row transition metal hydrides

    Science.gov (United States)

    Langhoff, Stephen R.; Pettersson, Lars G. M.; Bauschlicher, Charles W., Jr.; Partridge, Harry

    1987-01-01

    A systematic analysis of the low-lying states of all of the second-row transition metal (TM) hydrides except CdH is reported. The calculations included the dominant relativistic contributions through the use of the relativistic effective core potentials of Hay and Wadt (1985). Electron correlation was incorporated, using single-plus-double configuration interaction, the coupled pair functional (CPF) formalism of Ahlrichs et al. (1985), and the Chong and Langhoff (1986) modified version of the CPF method. The spectroscopic parameters D(e), r(e), and mu(e) determined for the low-lying states are compared with the available experimental data and previous theoretical results. In contrast to the first-row TM hydrides studied earlier (Chong et al., 1986), the spectroscopic constants for the second-row TM hydrides were found to be much less sensitive to the level of correlation treatment.

  9. The Preliminary Study on the Converting Measures between the Four Waters in Wet and Low-lying Farmland

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Most of China's wetland areas are located in the Sanjiang Plain.This area has 207×104 hm2 of wet and low-lying farmland,of which 59% is cropped.During the 1970s and 1980s,the Chinese government organized intensive scientific research into potential changes to existing natural resources conditions for these farmlands.The aim was to change the water resources regime to one that was beneficial to crop production.Arterial drainage,field drainage and appropriate sub-soil treatments were required.The relation between plant products industry and the Four Waters distribution,also the main measures of the Four Waters converting in wet and low-lying farmland were discussed in the paper.

  10. Theoretical spectroscopic parameters for the low-lying states of the second-row transition metal hydrides

    Science.gov (United States)

    Langhoff, Stephen R.; Pettersson, Lars G. M.; Bauschlicher, Charles W., Jr.; Partridge, Harry

    1987-01-01

    A systematic analysis of the low-lying states of all of the second-row transition metal (TM) hydrides except CdH is reported. The calculations included the dominant relativistic contributions through the use of the relativistic effective core potentials of Hay and Wadt (1985). Electron correlation was incorporated, using single-plus-double configuration interaction, the coupled pair functional (CPF) formalism of Ahlrichs et al. (1985), and the Chong and Langhoff (1986) modified version of the CPF method. The spectroscopic parameters D(e), r(e), and mu(e) determined for the low-lying states are compared with the available experimental data and previous theoretical results. In contrast to the first-row TM hydrides studied earlier (Chong et al., 1986), the spectroscopic constants for the second-row TM hydrides were found to be much less sensitive to the level of correlation treatment.

  11. Smart Salinity Management in Low-lying Deltaic Areas: A Model Predictive Control Scheme Applied to a Test Canal

    Science.gov (United States)

    Ekin Aydin, Boran; Rutten, Martine; Oude Essink, Gualbert H. P.; Delsman, Joost; Abraham, Edo

    2017-04-01

    Saline groundwater exfiltration to surface water increases surface water salinization and degrades the water quality in low-lying deltaic areas. As the use of surface water is less appropriate for agricultural, industrial and drinking water production due to salinization, freshwater diverted from a river is often utilised for flushing canals and ditches in these areas. Current water management strategies for flushing control in low-lying deltaic areas have to be revised to mitigate expected negative effects of climate change, sea level increase and decreasing fresh water availability. Model predictive control (MPC) is a powerful control method that is increasingly used for managing water systems. The explicit consideration of constraints and multi-objective management are important features of MPC. In this study, an MPC scheme is developed and tested for combined salinity and water level control of a ditch/water course. Saline groundwater exfiltration fluxes and salinities are modelled by applying the Rapid Saline Groundwater Exfiltration Model (RSGEM) and used as known disturbances for the MPC scheme. The developed control scheme is applied to a test canal using real data from a Dutch polder (Polders are low lying and artificially drained areas surrounded by dikes, with a controlled surface water level below M.S.L) which is affected by high saline groundwater exfiltration. This test demonstrates the performance of the controller for a real scenario. Simulation results show that MPC can increase the operational efficiency of flushing operations.

  12. Properties of low-lying intruder states in $^{34}$Al and $^{34}$Si sequentially populated in $\\beta$-decay of $^{34}$Mg

    CERN Multimedia

    A low-lying long-lived (26±1 ms) isomer in $^{34}$Al has been observed recently and assigned as 1$^{+}$ state of intruder character. It was populated in $^{36}$S fragmentation and feeds, in $\\beta$-decay, the 0$_{2}^{+}$ state in $^{34}$Si whose excitation energy and lifetime were determined in an electron-positron pairs spectroscopy experiment. In the present experiment we intend to measure for the first time the $\\gamma$-rays following the $\\beta$-decay of $^{34}$Mg. Despite the interest for $^{34}$Mg, the up-right corner of the “N$\\thicksim$20 island of inversion”, the only information on its $\\beta$-decay is the lifetime of 20±10 ms, determined from $\\beta$-neutron coincidences. As a result of the proposed experiment, we expect to place the first transitions in the level scheme of $^{34}$Al and to strongly populate the newly observed isomer, measuring its excitation energy, if the branching ratio to 4$^{−}$ ground state is significant. Theoretical estimations for the $\\beta$-decay of the new isome...

  13. Resonance ionization spectroscopy of thorium isotopes - towards a laser spectroscopic identification of the low-lying 7.6 eV isomer of $^{229}$Th

    CERN Document Server

    Raeder, S; Wendt, K; Sonnenschein, V; Trautmann, N; Rothe, S; Reponen, M; Gottwald, T; 10.1088/0953-4075/44/16/165005

    2011-01-01

    In-source resonance ionization spectroscopy was used to identify an efficient and selective three step excitation/ionization scheme of thorium, suitable for titanium:sapphire (Ti:sa) lasers. The measurements were carried out in preparation of laser spectroscopic investigations for an identification of the low-lying Th-229m isomer predicted at 7.6 +- 0.5 eV above the nuclear ground state. Using a sample of Th-232, a multitude of optical transitions leading to over 20 previously unknown intermediate states of even parity as well as numerous high-lying odd parity auto-ionizing states were identified. Level energies were determined with an accuracy of 0.06 cm-1 for intermediate and 0.15 cm-1 for auto-ionizing states. Using different excitation pathways an assignment of total angular momenta for several energy levels was possible. One particularly efficient ionization scheme of thorium, exhibiting saturation in all three optical transitions, was studied in detail. For all three levels in this scheme, the isotope s...

  14. Simultaneous excitation system for efficient guided wave structural health monitoring

    Science.gov (United States)

    Hua, Jiadong; Michaels, Jennifer E.; Chen, Xin; Lin, Jing

    2017-10-01

    Many structural health monitoring systems utilize guided wave transducer arrays for defect detection and localization. Signals are usually acquired using the ;pitch-catch; method whereby each transducer is excited in turn and the response is received by the remaining transducers. When extensive signal averaging is performed, the data acquisition process can be quite time-consuming, especially for metallic components that require a low repetition rate to allow signals to die out. Such a long data acquisition time is particularly problematic if environmental and operational conditions are changing while data are being acquired. To reduce the total data acquisition time, proposed here is a methodology whereby multiple transmitters are simultaneously triggered, and each transmitter is driven with a unique excitation. The simultaneously transmitted waves are captured by one or more receivers, and their responses are processed by dispersion-compensated filtering to extract the response from each individual transmitter. The excitation sequences are constructed by concatenating a series of chirps whose start and stop frequencies are randomly selected from a specified range. The process is optimized using a Monte-Carlo approach to select sequences with impulse-like autocorrelations and relatively flat cross-correlations. The efficacy of the proposed methodology is evaluated by several metrics and is experimentally demonstrated with sparse array imaging of simulated damage.

  15. Observation of a low-lying neutron-unbound state in 19C

    CERN Document Server

    Thoennessen, M; Badger, N S; Baumann, T; Bazin, D; Bennett, M; Brown, J; Christian, G; DeYoung, P A; Finck, J E; Gardner, M; Hook, E A; Luther, B; Meyer, D A; Mosby, M; Rogers, W F; Smith, J K; Spyrou, A; Strongman, M J

    2013-01-01

    Proton removal reactions from a secondary 22N beam were utilized to populate unbound states in neutron-rich carbon isotopes. Neutrons were measured with the Modular Neutron Array (MoNA) in coincidence with carbon fragments. A resonance with a decay energy of 76(14) keV was observed in the system 18C+n corresponding to a state in 19C at an excitation energy of 653(95)keV. This resonance could correspond to the first 5/2+ state which was recently speculated to be unbound in order to describe 1n and 2n removal cross section measurements from 20C.

  16. Response of Launch Pad Structures to Random Acoustic Excitation

    Directory of Open Access Journals (Sweden)

    Ravi N. Margasahayam

    1994-01-01

    Full Text Available The design of launch pad structures, particularly those having a large area-to-mass ratio, is governed by launch-induced acoustics, a relatively short transient with random pressure amplitudes having a non-Gaussian distribution. The factors influencing the acoustic excitation and resulting structural responses are numerous and cannot be predicted precisely. Two solutions (probabilistic and deterministic for the random vibration problem are presented in this article from the standpoint of their applicability to predict the response of ground structures exposed to rocket noise. Deficiencies of the probabilistic method, especially to predict response in the low-frequency range of launch transients (below 20 Hz, prompted the development of the deterministic analysis. The relationship between the two solutions is clarified for future implementation in a finite element method (FEM code.

  17. Observation of a low-lying neutron-unbound state in {sup 19}C

    Energy Technology Data Exchange (ETDEWEB)

    Thoennessen, M., E-mail: thoennessen@nscl.msu.edu [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Mosby, S. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Badger, N.S. [Department of Physics, Rhodes College, Memphis, TN 38112 (United States); Baumann, T.; Bazin, D. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Bennett, M. [Department of Physics, Westmont College, Santa Barbara, CA 93108 (United States); Brown, J. [Department of Physics, Wabash College, Crawfordsville, IN 47933 (United States); Christian, G. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); DeYoung, P.A. [Department of Physics, Hope College, Holland, MI 49423 (United States); Finck, J.E. [Department of Physics, Central Michigan University, Mt. Pleasant, MI 48859 (United States); Gardner, M. [Department of Physics, Westmont College, Santa Barbara, CA 93108 (United States); Hook, E.A. [Department of Physics, Rhodes College, Memphis, TN 38112 (United States); Luther, B. [Department of Physics, Concordia College, Moorhead, MN 56562 (United States); Meyer, D.A. [Department of Physics, Rhodes College, Memphis, TN 38112 (United States); Mosby, M. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Rogers, W.F. [Department of Physics, Westmont College, Santa Barbara, CA 93108 (United States); and others

    2013-08-21

    Proton removal reactions from a secondary {sup 22}N beam were utilized to populate unbound states in neutron-rich carbon isotopes. Neutrons were measured with the Modular Neutron Array (MoNA) in coincidence with carbon fragments. A resonance with a decay energy of 76(14) keV was observed in the system {sup 18}C+n corresponding to a state in {sup 19}C at an excitation energy of 653(95) keV. This resonance could correspond to the first 5/2{sup +} state which was recently speculated to be unbound in order to describe 1n and 2n removal cross section measurements from {sup 20}C.

  18. Lifetime measurement of the low lying yrast states in 189Pt

    CERN Document Server

    Chuang-Ye, He; Jin-Long, Wang; Yi-Heng, Wu; Yun, Zheng; Guang-Sheng, Li; Cong-Bo, Li; Shi-Peng, Hu; Hong-Wei, Li; Jia-Jian, Liu; Peng-Wei, Luo; Shun-He, Yao

    2013-01-01

    Lifetimes of the positive-parity yrast band in 189Pt were measured using the recoil distance Doppler-shift method. A HPGe detector array consisting of 13 detectors was used in conjunction with the plunger device in CIAE. Excited states of 189Pt were populated by the 176Yb (18O, 5n) 189Pt fusion-evaporation reaction at a beam energy 87 MeV. The lifetimes of two levels belonging to the yrast band are measured. The results show that the 17/2+ state in the yrast band has large Qt value, but it deceases quickly with spin increasing. It may be contributed from the shape driving effect of the quasi-neutron from the i13/2 oribital.

  19. The low-lying 2-sigma-minus states of OH

    Science.gov (United States)

    Van Dishoeck, E. F.; Langhoff, S. R.; Dalgarno, A.

    1983-01-01

    The configuration-interaction method is used to determine the electronic wave functions of the two lowest 2-sigma-minus states of OH using four different atomic orbital basis sets. Potential energy curves, transition moments, oscillator strengths, and photodissociation cross sections are obtained. Electronic transition dipole moments connecting the excited 1 2-sigma-minus and 2(D)2-sigma-minus states with each other and with the ground chi-2-pi state are presented as functions of internuclear distance. The theoretical absorption oscillator strengths for the D-2-sigma-minus(v prime = 0) from chi-2-pi(v double prime = 0) transition are in good agreement with the empirical value derived from astronomical measurement. The photodissociation cross sections for absorption from the v prime = 0, 1, and 2 levels of the ground state into the continuum of the 1 2-sigma-minus state are calculated, and the interstellar and cometary photodissociation rates are derived.

  20. Low-lying quasibound rovibrational states of H2 16O**

    Science.gov (United States)

    Szidarovszky, Tamás; Császár, Attila G.

    2013-08-01

    A complex coordinate scaling (CCS) method is described allowing the quantum chemical computation of quasibound (also called resonance or metastable) rovibrational states of strongly bound triatomic molecules. The molecule chosen to test the method is H2 16O, for which an accurate global potential energy surface, a previous computation of a few resonance states via the complex absorbing potential (CAP) method, and some Feshbach (J = 0, where J is the quantum number characterising overall rotations of the molecule) and shape (J ≠ 0) resonances measured via a state-selective, triple-resonance technique are all available. Characterisation of the computed resonance states is performed via probability density plots based on CCS rovibrational wavefunctions. Such plots provide useful details about the physical nature of the resonance states. Based on the computations and the resonance plots, the following useful facts about the resonance states investigated are obtained: (a) Feshbach resonances are formed by accumulation of a large amount of energy in either the non-dissociative bending or symmetric streching modes, excitations by more than five quanta are not uncommon; (b) there are several resonance states with low and medium bending excitation, the latter are different from the states observed somewhat below dissociation by the same triple-resonance technique; (c) several types of dissociation bahavior can be identified, varying greatly among the states; (d) several pairs of J = 0 and J = 1 Feshbach resonance states can be identified which differ by rigid-rotor type energies; and (e) the lifetimes of the assigned J = 1 rovibrational Feshbach resonances are considerably longer than the lifetimes of their J = 0 vibrational counterparts.

  1. Comparative study of spectroscopic properties of the low-lying electronic states of 2,4-pentadien-1-iminium cation and its N-substituted analogues

    Indian Academy of Sciences (India)

    Anjan Chattopadhyay

    2012-09-01

    Semiempirical and ab initio-based CI methods have been employed to study the low-lying electronic states of 2,4-pentadien-1-iminium cation and its N-substituted analogues with electron-donating (methyl, isopropyl) and electron-withdrawing (fluoromethyl) groups on nitrogen. Variations of the dihedral angles (Γ3, Γ4) of the ground state have given the global minima and global maxima at (180°, 180°) and (90°, 0°) conformations, respectively, with some exceptions in the case of fluoromethyl compound. Increase in the +I effect on nitrogen shifts the TICT conical intersection point away from the 90° (Γ3 dihedral angle) value, when the Γ4 value is kept fixed at 180°. Transition moment values of the allowed S0(1A -like) → S1 (2B-like) transitions are expectedly higher than the forbidden S0(1A -like) → S2(2A -like) transitions by almost 5.6 D. Radiative lifetime values of the first excited states are calculated to be around 215 ps for all the four compounds. At (180°, 180°) conformation the vertical excitation energy (VEE) between the S0 and S1 states of the 2,4-pentadieniminium cation is found to be 3.3 eV, which corresponds to the absorption wavelength value of roughly 375 nm. The VEE value increases with substituents having +I effect on nitrogen, while for the fluoromethyl compound it is calculated to be around 2.85 eV. The energy gap between the first two excited singlet states is found to have the least value in the isopropyl-substituted compound, where the S2 state contains a huge contribution from the HOMO2→LUMO2 configuration.

  2. Lifetimes and collectivity of low-lying states in 115Sn

    Science.gov (United States)

    Lobach, Yu. N.; Käubler, L.; Schwengner, R.; Pasternak, A. A.

    1999-04-01

    The lifetimes of excited states in 115Sn have been measured using the Doppler shift attenuation method in the reaction 113Cd(α,2nγ) at Eα=27.2 MeV. Lifetimes were obtained for 18 states and lifetime limits for 6 states with Ex<=4 MeV and J<=23/2. The experimentally obtained B(σL) values for transitions deexciting positive-parity states are compared with calculations in the framework of the Bardeen-Cooper-Schrieffer quasiparticle model and the interacting boson fermion model, whereas the values for transitions between negative-parity states are discussed qualitatively within a core-particle coupling picture. The value of B(E2)=3.5(11) Weisskopf units (W.u.) for the transition linking the 19/2- state of the intruder νh11/2π2p2h band to the 15/2- state of the νh11/2⊗2+1 multiplet strongly supports the configuration νh11/2π(g-29/2g27/2) ascribed to this band.

  3. Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule

    Institute of Scientific and Technical Information of China (English)

    Ling Zhang; Chuanlu Yang; Tingqi Ren; Meishan Wang

    2008-01-01

    Nine low-lying electronic states of the AsP molecule, including Σ+, Ⅱ, and △ symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method.The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present.Three quintet states are reported for the first time.Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least square fitting method.

  4. On the low-lying states of WO - A comparison with CrO and MoO

    Science.gov (United States)

    Nelin, C. J.; Bauschlicher, C. W., Jr.

    1985-01-01

    The four low-lying states of WO were investigated and compared with similar states of CrO and MoO. For all these systems the ground state is 5 Pi, but the ordering of the upper states is different between WO and either CrO or MoO. The difference in the state ordering arises in part from the fact that in WO all of the states are formed from W(+) in a d4S1 configuration, whereas in both CrO and MoO some states are formed from the d5 configuration and others from the d4S1 configuration.

  5. Excitation of Terahertz Charge Transfer Plasmons in Metallic Fractal Structures

    Science.gov (United States)

    Ahmadivand, Arash; Gerislioglu, Burak; Sinha, Raju; Vabbina, Phani Kiran; Karabiyik, Mustafa; Pala, Nezih

    2017-08-01

    There have been extensive researches on terahertz (THz) plasmonic structures supporting resonant modes to demonstrate nano and microscale devices with high efficiency and responsivity as well as frequency selectivity. Here, using antisymmetric plasmonic fractal Y-shaped (FYS) structures as building blocks, we introduce a highly tunable four-member fractal assembly to support charge transfer plasmons (CTPs) and classical dipolar resonant modes with significant absorption cross section in the THz domain. We first present that the unique geometrical nature of the FYS system and corresponding spectral response allow for supporting intensified dipolar plasmonic modes under polarised light exposure in a standalone structure. In addition to classical dipolar mode, for the very first time, we demonstrated CTPs in the THz domain due to the direct shuttling of the charges across the metallic fractal microantenna which led to sharp resonant absorption peaks. Using both numerical and experimental studies, we have investigated and confirmed the excitation of the CTP modes and highly tunable spectral response of the proposed plasmonic fractal structure. This understanding opens new and promising horizons for tightly integrated THz devices with high efficiency and functionality.

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

    Science.gov (United States)

    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.

  7. Optical and structural characterisation of low dimensional structures using electron beam excitation systems

    CERN Document Server

    Mohammed, A

    2000-01-01

    suppressed by nonradiative recombination centres. The temperatures at which the QW luminescence starts to quench and the activation energies of luminescence quenching are found to depend on excitation conditions, sample quality and QW depth. The results of CL intensity dependence on the excitation intensity revealed that luminescence from good quality QW structures is dominated by radiative recombination processes even at high temperatures during thermal quenching. In contrast, in defected structures non-radiative recombination mechanisms dominate the luminescence properties at all temperatures. Secondary electron images of hexagonal growth hillocks of GaN obtained at a range of electron beam excitation energies vary because of the different signals involved in the imaging. Electron backscatter diffraction measurements have been used for phase identification and lattice constants determination in a strained GaN epilayer. This thesis presents studies on optical and structural characterisation of low dimensiona...

  8. Reply to ``Comment on `Three-body properties of low-lying 12Be resonances' ''

    Science.gov (United States)

    Garrido, E.; Jensen, A. S.; Fedorov, D. V.; Johansen, J. G.

    2013-09-01

    We suggested that the two resonances at 0.89 and 2.03 MeV above the two-neutron separation threshold have spins and parities of 0+ and 1-. In the Comment, Fortune claims that these states almost unambiguously must be 3- and 4+ states. We work in three-body cluster models with Jπ=0+,1-,2+ where all three-body continuum structures are included. Fortune bases his assignments on the bound-state shell-model and (t,p) calculations. Our conclusions are from three-body structure results including widths. Assignments as 0+ and 1- (or, perhaps, 3-) resonances are the most natural within the three-body cluster model.

  9. EXTRACTING MODAL PARAMETERS FROM STRUCTURES UNDERGOING AMBIENT EXCITATION

    Institute of Scientific and Technical Information of China (English)

    HUA; Hong-xing(

    2001-01-01

    [1]Ibrahim S R. Application of random time domain analysis to dynamic flight measurements [J]. Shock and Vibration Bulletin, 1979, 49(2): 165~170.[2]Pappa R S, Juang J N. Some experiences with the eigensystem realization algorithm [A]. Proceeding of the 6th IMAC[C]. Orlando, FL, USA, 1988.[3]Kramer C, Desmet C A M, Peeters B. Comparison of ambient and forced vibration testing of civil engineering structures [A]. 17th IMAC[C]. Kissimmee, FL, USA, 1999. 1030~1034.[4]Hoen C, Moan T, Remseth S. System identification of structures exposed to environmental loads [A]. Proceedings of EURODYN'93, the 2nd European Conference on Structural Dynamics [C]. Trondheim, Norway, 1993. 835~844.[5]James G H, Carne T G, Edmunds R S. Stars missile-modal analysis of first flight data using the natural excitation technique, NExT [A]. 12th IMAC [C]. Honolulu, HI, USA, 1994.[6]Hermans I. In-flight modal testing and analysis of a helicopter [A]. 17th IMAC [C]. Florida, 1999. 80~89.[7]Hermans L. Modal testing and analysis of a car under operational conditions [A]. 16th IMAC [C]. Florida, 1998. 1000~1006.[8]James G H, Garne T G. The natural excitation technique (NExT) for modal parameter extraction from ambient operating structure [J]. The International J of Analytical and Experimental Modal Analysis, 1995, 10(4): 260~277.[9]傅志方.振动模态分析与参数辨识[M].北京:机械工业出版社,1989.[10]周概容.概率论与数理统计.北京:高等教育出版社,1984.[11]宁德成.信号与系统.西安:西北工业大学出版社,1996.[12]葛照强.矩阵理论及其在工程技术中的应用.西安:陕西科学技术出版社,1991.[13]Chiang Dar-Yun, Cheng Ming-Si. Modal parameter identification from ambient response [J]. AIAA Journal, 1999, 37(4): 513~515.

  10. Microscopic study of low-lying yrast spectra in 100-108Mo isotopes

    Indian Academy of Sciences (India)

    Neeru Sawhney; Arun Bharti; S K Khosa

    2002-10-01

    Variation-after-projection (VAP) calculations in conjunction with Hartree–Bogoliubov (HB) ansatz have been carried out for = 100-108 molybdenum (Mo) isotopes. In this framework, the yrast spectra with $J^{}_{\\max}$ ≥ 10+, $B(E2)$ transition probabilities, quadrupole (2) and hexadecapole (4) deformation parameters, moment of inertia () and square of cranking frequency (2) for even–even Mo isotopes have been obtained. The results of the calculation give an indication that it is important to include the hexadecapole–hexadecapole component of the two-body interaction for obtaining various nuclear structure quantities in these Mo isotopes.

  11. Search for the low-lying (π1g(9)/(2))4 62+ state in Ru94

    Science.gov (United States)

    Mills, W. J.; Ressler, J. J.; Austin, R. A. E.; Chakrawarthy, R. S.; Cross, D. S.; Heinz, A.; McCutchan, E. A.; Strange, M. D.

    2007-04-01

    Excitations in Ru94 were populated through the β+/ɛ decay of Rh94 following the fusion evaporation reaction Ni58(Ca40,3pn)Rh94. Recoiling nuclei were implanted on the Yale moving tape collector at the Wright Nuclear Structure Laboratory, and delayed γ-rays were observed via an array of four Compton suppressed HPGe clover detectors. Nine new γ-transitions and five new levels were added to the level scheme of (π1g(9)/(2))Jπ=6+4 level, in close agreement with prediction.

  12. Microflaring in Low-Lying Core Fields and Extended Coronal Heating in the Quiet Sun

    Science.gov (United States)

    Porter, Jason G.; Falconer, D. A.; Moore, Ronald L.

    1999-01-01

    We have previously reported analyses of Yohkoh SXT data examining the relationship between the heating of extended coronal loops (both within and stemming from active regions) and microflaring in core fields lying along neutral lines near their footpoints (J. G. Porter, D. A. Falconer, and R. L. Moore 1998, in Solar Jets and Coronal Plumes, ed. T. Guyenne, ESA SP-421, and references therein). We found a surprisingly poor correlation of intensity variations in the extended loops with individual microflares in the compact heated areas at their feet, despite considerable circumstancial evidence linking the heating processes in these regions. Now, a study of Fe XII image sequences from SOHO EIT show that similar associations of core field structures with the footpoints of very extended coronal features can be found in the quiet Sun. The morphology is consistent with the finding of Wang et al. (1997, ApJ 484, L75) that polar plumes are rooted at sites of mixed polarity in the magnetic network. We find that the upstairs/downstairs intensity variations often follow the trend, identified in the active region observations, of a weak correspondence. Apparently much of the coronal heating in the extended loops is driven by a type of core field magnetic activity that is "cooler" than the events having the coronal signature of microflares, i.e., activity that results in little heating within the core fields themselves. This work was funded by the Solar Physics Branch of NASA's Office of Space Science through the SR&T Program and the SEC Guest Investigator Program.

  13. An improved model electronic Hamiltonian for potential energy surfaces and spin-orbit couplings of low-lying d-d states of [Fe(bpy)3]2+.

    Science.gov (United States)

    Iuchi, Satoru; Koga, Nobuaki

    2014-01-14

    With the aim of exploring excited state dynamics, a model electronic Hamiltonian for several low-lying d-d states of [Fe(bpy)3](2+) complex [S. Iuchi, J. Chem. Phys. 136, 064519 (2012)] is refined using density-functional theory calculations of singlet, triplet, and quintet states as benchmarks. Spin-orbit coupling elements are also evaluated within the framework of the model Hamiltonian. The accuracy of the developed model Hamiltonian is determined by examining potential energies and spin-orbit couplings at surface crossing regions between different spin states. Insights into the potential energy surfaces around surface crossing regions are also provided through molecular dynamics simulations. The results demonstrate that the constructed model Hamiltonian can be used for studies on the d-d excited state dynamics of [Fe(bpy)3](2+).

  14. Energy of the low-lying bound S-states of exotic two-muon three-body systems

    CERN Document Server

    Khan, Md Abdul

    2014-01-01

    Energies of the low-lying bound S-states (L=0) of exotic three-body systems, consisting a nuclear core of charge +Ze (Z being atomic number of the core) and two negatively charged valence muons, have been calculated by hyperspherical harmonics expansion method (HHEM). The three-body Schr\\H{o}dinger equation is solved assuming purely Coulomb interaction among the binary pairs of the three-body systems X$^{Z+}\\mu^-\\mu^-$ for Z=1 to 54. Convergence pattern of the energies have been checked with respect to the increasing number of partial waves $K_{max}$. For available computer facilities, calculations are feasible up to $K_{max}=28$ partial waves, however, calculation for still higher partial waves have been achieved through an appropriate extrapolation scheme. The dependence of bound state energies has been checked against increasing nuclear charge Z and finally, the calculated energies have been compared with the ones of the literature.

  15. A New Method to Derive Low-Lying N-dimensional Quantum Wave Functions by Quadratures Along a Single Trajectory

    CERN Document Server

    Friedberg, R; Zhao Wei Qin

    2000-01-01

    We present a new method to derive low-lying N-dimensional quantum wave functions by quadrature along a single trajectory. The N-dimensional Schroedinger equation is cast into a series of readily integrable first order ordinary differential equations. Our approach resembles the familiar W.K.B. approximation in one dimension, but is designed to explore the classically forbidden region and has a much wider applicability than W.K.B.. The method also provides a perturbation series expansion and the Green's functions of the wave equation in N-dimension, all by quadratures along a single trajectory. A number of examples are given for illustration, including a simple algorithm to evaluate the Stark effect in closed form to any finite order of the electric field.

  16. Spin Tests of a Low-lying Monoplane in Flight and in the Free-spinning Wind Tunnel

    Science.gov (United States)

    Seidman, Oscar; Mcavoy, William H

    1940-01-01

    Comparative full-scale and model spin tests were made with a low-lying monoplane in order to extend the available information as to the utility of the free-spinning wind tunnel as an aid in predicting full-scale spin characteristics. For a given control disposition the model indicated steeper spins than were actually obtained with the airplane, the difference being most pronounced for spins with elevators up. Recovery characteristics for the model, on the whole, agreed with those for the airplane, but a disagreement was noted for the case of recovery with elevators held full up. Free-spinning wind-tunnel tests are a useful aid in estimating spin characteristics of airplanes, but it must be appreciated that model results can give only general indications of full-scale behavior.

  17. Saltwater contamination in the managed low-lying farmland of the Venice coast, Italy: An assessment of vulnerability

    Energy Technology Data Exchange (ETDEWEB)

    Da Lio, Cristina, E-mail: cristina.dalio@ve.ismar.cnr.it [Institute of Marine Sciences, National Research Council, Arsenale — Tesa 104, Castello 2737/F, 30122 Venezia (Italy); Carol, Eleonora, E-mail: eleocarol@fcnym.unlp.edu.ar [Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Cátedra de Hidrología General, Facultad de Ciencias Naturales y Museo, Universidad Nacional de La Plata 64 n" o3 La Plata (Argentina); Kruse, Eduardo, E-mail: kruse@fcnym.unlp.edu.ar [Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Cátedra de Hidrología General, Facultad de Ciencias Naturales y Museo, Universidad Nacional de La Plata 64 n" o3 La Plata (Argentina); Teatini, Pietro, E-mail: pietro.teatini@unipd.it [Institute of Marine Sciences, National Research Council, Arsenale — Tesa 104, Castello 2737/F, 30122 Venezia (Italy); Dept. of Civil, Architectural and Environmental Engineering, University of Padova, Via Trieste 63, 35121 Padova (Italy); Tosi, Luigi, E-mail: luigi.tosi@ismar.cnr.it [Institute of Marine Sciences, National Research Council, Arsenale — Tesa 104, Castello 2737/F, 30122 Venezia (Italy)

    2015-11-15

    The original morphology and hydrogeology of many low-lying coastlands worldwide have been significantly modified over the last century through river diversion, embankment built-up, and large-scale land reclamation projects. This led to a progressive shifting of the groundwater–surficial water exchanges from naturally to anthropogenically driven. In this human-influenced hydrologic landscape, the saltwater contamination usually jeopardizes the soil productivity. In the coastland south of Venice (Italy), several well log measurements, chemical and isotope analyses have been performed over the last decade to characterize the occurrence of the salt contamination. The processing of this huge dataset highlights a permanent variously-shaped saline contamination up to 20 km inland, with different conditions in relation with the various geomorphological features of the area. The results point out the important role of the land reclamation in shaping the present-day salt contamination and reveal the contribution of precipitation, river discharge, lagoon and sea water to the shallow groundwater in the various coastal sectors. Moreover, an original vulnerability map to salt contamination in relation to the farmland productivity has been developed taking into account the electrical conductivity of the upper aquifer in the worst condition, the ground elevation, and the distance from salt and fresh surface water sources. Finally, the study allows highlighting the limit of traditional investigations in monitoring saltwater contamination at the regional scale in managed Holocene coastal environments. Possible improvements are outlined. - Highlights: • Land reclamation shapes the present saltwater contamination in the Venice coastland. • Natural and anthropogenic forcings drive the seawater flow in shallow aquifers. • Hydro-geophysical–geochemical investigations highlight the groundwater origin. • The vulnerability of the farmland to salt contamination extents up to 20

  18. Dissociation potential curves of low-lying states in transition metal hydrides. 3. Hydrides of groups 6 and 7.

    Science.gov (United States)

    Koseki, Shiro; Matsushita, Takeshi; Gordon, Mark S

    2006-02-23

    The dissociation curves of low-lying spin-mixed states in monohydrides of groups 6 and 7 were calculated by using an effective core potential (ECP) approach. This approach is based on the multiconfiguration self-consistent field (MCSCF) method, followed by first-order configuration interaction (FOCI) calculations, in which the method employs an ECP basis set proposed by Stevens and co-workers (SBKJC) augmented by a set of polarization functions. Spin-orbit coupling (SOC) effects are estimated within the one-electron approximation by using effective nuclear charges, since SOC splittings obtained with the full Breit-Pauli Hamitonian are underestimated when ECP basis sets are used. The ground states of group 6 hydrides have Omega = (1)/(2)(X(6)Sigma(+)(1/2)), where Omega is the z component of the total angular momentum quantum number. Although the ground states of group 7 hydrides have Omega = 0(+), their main adiabatic components are different; the ground state in MnH originates from the lowest (7)Sigma(+), while in TcH and ReH the main component of the ground state is the lowest (5)Sigma(+). The present paper reports a comprehensive set of theoretical results including the dissociation energies, equilibrium distances, electronic transition energies, harmonic frequencies, anharmonicities, and rotational constants for several low-lying spin-mixed states in these hydrides. Transition dipole moments were also computed among the spin-mixed states and large peak positions of electronic transitions are suggested theoretically for these hydrides. The periodic trends of physical properties of metal hydrides are discussed, based on the results reported in this and other recent studies.

  19. Predictions for Excited Strange Baryons

    Energy Technology Data Exchange (ETDEWEB)

    Fernando, Ishara P.; Goity, Jose L. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2016-04-01

    An assessment is made of predictions for excited hyperon masses which follow from flavor symmetry and consistency with a 1/N c expansion of QCD. Such predictions are based on presently established baryonic resonances. Low lying hyperon resonances which do not seem to fit into the proposed scheme are discussed.

  20. Mixed symmetry states and isospin excitation in N = Z nucleus 52Fe

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The interacting boson model with isospin (IBM-3) was applied to study the band structure and electromagnetic transition properties of the low-lying states in the even-even N = Z nucleus 52Fe. The isospin excitation states with T = 0, 1 and 2 were identified, and compared with the available data. The study shows that the 2+3 state is the lowest mixed symmetry state in 52Fe. The excitation energy of the second 0+2 state with T = 0 in nucleus 52Fe was identified. The model calculations with the data show a reasonably good agreement.

  1. Structural control and health monitoring of building structures with unknown ground excitations: Experimental investigation

    Science.gov (United States)

    He, Jia; Xu, You-Lin; Zhan, Sheng; Huang, Qin

    2017-03-01

    When health monitoring system and vibration control system both are required for a building structure, it will be beneficial and cost-effective to integrate these two systems together for creating a smart building structure. Recently, on the basis of extended Kalman filter (EKF), a time-domain integrated approach was proposed for the identification of structural parameters of the controlled buildings with unknown ground excitations. The identified physical parameters and structural state vectors were then utilized to determine the control force for vibration suppression. In this paper, the possibility of establishing such a smart building structure with the function of simultaneous damage detection and vibration suppression was explored experimentally. A five-story shear building structure equipped with three magneto-rheological (MR) dampers was built. Four additional columns were added to the building model, and several damage scenarios were then simulated by symmetrically cutting off these columns in certain stories. Two sets of earthquakes, i.e. Kobe earthquake and Northridge earthquake, were considered as seismic input and assumed to be unknown during the tests. The structural parameters and the unknown ground excitations were identified during the tests by using the proposed identification method with the measured control forces. Based on the identified structural parameters and system states, a switching control law was employed to adjust the current applied to the MR dampers for the purpose of vibration attenuation. The experimental results show that the presented approach is capable of satisfactorily identifying structural damages and unknown excitations on one hand and significantly mitigating the structural vibration on the other hand.

  2. In-flight investigation of a rotating cylinder-based structural excitation system for flutter testing

    Science.gov (United States)

    Vernon, Lura

    1993-01-01

    A research excitation system was test flown at the NASA Dryden Flight Research Facility on the two-seat F-16XL aircraft. The excitation system is a wingtip-mounted vane with a rotating slotted cylinder at the trailing edge. As the cylinder rotates during flight, the flow is alternately deflected upward and downward through the slot, resulting in a periodic lift force at twice the cylinder's rotational frequency. Flight testing was conducted to determine the excitation system's effectiveness in the subsonic, transonic, and supersonic flight regimes. Primary research objectives were to determine the system's ability to develop adequate force levels to excite the aircraft's structure and to determine the frequency range over which the system could excite structural modes of the aircraft. In addition, studies were conducted to determine optimal excitation parameters, such as sweep duration, sweep type, and energy levels. The results from the exciter were compared with results from atmospheric turbulence excitation at the same flight conditions. The comparison indicated that the vane with a rotating slotted cylinder provides superior results. The results from the forced excitation were of higher quality and had less variation than the results from atmospheric turbulence. The forced excitation data also invariably yielded higher structural damping values than those from the atmospheric turbulence data.

  3. Nucleosynthesis of 92Nb and the relevance of the low-lying isomer at 135.5 keV

    Science.gov (United States)

    Mohr, Peter

    2016-06-01

    Background: Because of its half-life of about 35 million years, 92Nb is considered as a chronometer for nucleosynthesis events prior to the birth of our sun. The abundance of 92Nb in the early solar system can be derived from meteoritic data. It has to be compared to theoretical estimates for the production of 92Nb to determine the time between the last nucleosynthesis event before the formation of the early solar system. Purpose: The influence of a low-lying short-lived isomer on the nucleosynthesis of 92Nb is analyzed. The thermal coupling between the ground state and the isomer via so-called intermediate states affects the production and survival of 92Nb. Method: The properties of the lowest intermediate state in 92Nb are known from experiment. From the lifetime of the intermediate state and from its decay branchings, the transition rate from the ground state to the isomer and the effective half-life of 92Nb are calculated as functions of the temperature. Results: The coupling between the ground state and the isomer is strong. This leads to thermalization of ground state and isomer in the nucleosynthesis of 92Nb in any explosive production scenario and almost 100% survival of 92Nb in its ground state. However, the strong coupling leads to a temperature-dependent effective half-life of 92Nb which makes the 92Nb survival very sensitive to temperatures as low as about 8 keV, thus turning 92Nb at least partly into a thermometer. Conclusions: The low-lying isomer in 92Nb does not affect the production of 92Nb in explosive scenarios. In retrospect this validates all previous studies where the isomer was not taken into account. However, the dramatic reduction of the effective half-life at temperatures below 10 keV may affect the survival of 92Nb after its synthesis in supernovae, which are the most likely astrophysical sites for the nucleosynthesis of 92Nb.

  4. Non-stationary random vibration analysis of structures under multiple correlated normal random excitations

    Science.gov (United States)

    Li, Yanbin; Mulani, Sameer B.; Kapania, Rakesh K.; Fei, Qingguo; Wu, Shaoqing

    2017-07-01

    An algorithm that integrates Karhunen-Loeve expansion (KLE) and the finite element method (FEM) is proposed to perform non-stationary random vibration analysis of structures under excitations, represented by multiple random processes that are correlated in both time and spatial domains. In KLE, the auto-covariance functions of random excitations are discretized using orthogonal basis functions. The KLE for multiple correlated random excitations relies on expansions in terms of correlated sets of random variables reflecting the cross-covariance of the random processes. During the response calculations, the eigenfunctions of KLE used to represent excitations are applied as forcing functions to the structure. The proposed algorithm is applied to a 2DOF system, a 2D cantilever beam and a 3D aircraft wing under both stationary and non-stationary correlated random excitations. Two methods are adopted to obtain the structural responses: a) the modal method and b) the direct method. Both the methods provide the statistics of the dynamic response with sufficient accuracy. The structural responses under the same type of correlated random excitations are bounded by the response obtained by perfectly correlated and uncorrelated random excitations. The structural response increases with a decrease in the correlation length and with an increase in the correlation magnitude. The proposed methodology can be applied for the analysis of any complex structure under any type of random excitation.

  5. Saltwater contamination in the managed low-lying farmland of the Venice coast, Italy: An assessment of vulnerability.

    Science.gov (United States)

    Da Lio, Cristina; Carol, Eleonora; Kruse, Eduardo; Teatini, Pietro; Tosi, Luigi

    2015-11-15

    The original morphology and hydrogeology of many low-lying coastlands worldwide have been significantly modified over the last century through river diversion, embankment built-up, and large-scale land reclamation projects. This led to a progressive shifting of the groundwater-surficial water exchanges from naturally to anthropogenically driven. In this human-influenced hydrologic landscape, the saltwater contamination usually jeopardizes the soil productivity. In the coastland south of Venice (Italy), several well log measurements, chemical and isotope analyses have been performed over the last decade to characterize the occurrence of the salt contamination. The processing of this huge dataset highlights a permanent variously-shaped saline contamination up to 20km inland, with different conditions in relation with the various geomorphological features of the area. The results point out the important role of the land reclamation in shaping the present-day salt contamination and reveal the contribution of precipitation, river discharge, lagoon and sea water to the shallow groundwater in the various coastal sectors. Moreover, an original vulnerability map to salt contamination in relation to the farmland productivity has been developed taking into account the electrical conductivity of the upper aquifer in the worst condition, the ground elevation, and the distance from salt and fresh surface water sources. Finally, the study allows highlighting the limit of traditional investigations in monitoring saltwater contamination at the regional scale in managed Holocene coastal environments. Possible improvements are outlined.

  6. Towards establishing low-lying $\\Lambda$ and $\\Sigma$ hyperon resonances with $\\bar K + d \\to \\pi + Y + N$ reaction

    CERN Document Server

    Kamano, H

    2016-01-01

    A model for the $\\bar K d \\to \\pi Y N$ reactions with $Y=\\Lambda, \\Sigma$ is developed, aiming at establishing the low-lying $\\Lambda$ and $\\Sigma$ hyperon resonances through analyzing the forthcoming data from the J-PARC E31 experiment. The off-shell amplitudes generated from the dynamical coupled-channels (DCC) model, which was developed in Phys. Rev. C 90, 065204 (2014), are used as input to the calculations of the elementary $\\bar K N \\to \\bar K N$ and $\\bar K N \\to \\pi Y$ subprocesses in the $\\bar K d \\to \\pi Y N$ reactions. It is shown that the cross sections for the J-PARC E31 experiment with a rather high incoming-$\\bar{K}$ momentum, $|\\vec p_{\\bar K}|= 1$ GeV, can be predicted reliably only when the input $\\bar K N \\to \\bar K N$ amplitudes are generated from a $\\bar KN$ model, such as the DCC model used in this investigation, which describes the data of the $\\bar K N$ reactions at energies far beyond the $\\bar K N$ threshold. We find that the data of the threefold differential cross section $d\\sigma/...

  7. An Accurate Calculation of Potential Energy Curves and Transition Dipole Moment for Low-Lying Electronic States of CO

    Institute of Scientific and Technical Information of China (English)

    LU Peng-Fei; YAN Lei; YU Zhong-Yuan; GAO Yu-Feng; GAO Tao

    2013-01-01

    In this paper,potential energy curves for the X1∑+,a3∏,a'3∑+,d3△,A1∏ and I1∑-states of CO have been calculated using complete active space self-consistent field and multi-reference configuration interaction methods.The calculations have been performed at 108 nuclear separations from 0.7 to 4.0 (A) by the aug-cc-PV5Z basis set.Spectroscopic constants for the six low-lying electronic states are found in good agreement with experimental data.The vibrational states of the X1∑+ and A1∏ states are also calculated,which are reliable and accurate by comparison with the experimental data and the other theoretical values.The transition dipole moment (TDM) shows that the TDM of the two states (X1∑+ → A1∏) are reduced strongly with increase of bond length.

  8. Nucleosynthesis of $^{92}$Nb and the relevance of the low-lying isomer at 135.5 keV

    CERN Document Server

    Mohr, Peter

    2016-01-01

    Background: Because of its half-life of about 35 million years, 92Nb is considered as a chronometer for nucleosynthesis events prior to the birth of our sun. The abundance of 92Nb in the early solar system can be derived from meteoritic data. It has to be compared to theoretical estimates for the production of 92Nb to determine the time between the last nucleosynthesis event before the formation of the early solar system. Purpose: The influence of a low-lying short-lived isomer on the nucleosynthesis of 92Nb is analyzed. The thermal coupling between the ground state and the isomer via so-called intermediate states affects the production and survival of 92Nb. Method: The properties of the lowest intermediate state in 92Nb are known from experiment. From the lifetime of the intermediate state and from its decay branchings, the transition rate from the ground state to the isomer and the effective half-life of 92Nb are calculated as a function of the temperature. Results: The coupling between the ground state and...

  9. Low-energy dipole excitations in neon isotopes and N=16 isotones within the quasiparticle random phase approximation and the Gogny force

    CERN Document Server

    Martini, M; Dupuis, M

    2011-01-01

    Low-energy dipole excitations in neon isotopes and N=16 isotones are calculated with a fully consistent axially-symmetric-deformed quasiparticle random phase approximation (QRPA) approach based on Hartree-Fock-Bogolyubov (HFB) states. The same Gogny D1S effective force has been used both in HFB and QRPA calculations. The microscopical structure of these low-lying resonances, as well as the behavior of proton and neutron transition densities, are investigated in order to determine the isoscalar or isovector nature of the excitations. It is found that the N=16 isotones 24O, 26Ne, 28Mg, and 30Si are characterized by a similar behavior. The occupation of the 2s_1/2 neutron orbit turns out to be crucial, leading to nontrivial transition densities and to small but finite collectivity. Some low-lying dipole excitations of 28Ne and 30Ne, characterized by transitions involving the neutron 1d_3/2 state, present a more collective behavior and isoscalar transition densities. A collective proton low-lying excitation is id...

  10. Slepian Simulations of Plastic Displacements of Randomly Excited Hysteretic Structures

    DEFF Research Database (Denmark)

    Lazarov, Boyan Stefanov

    2003-01-01

    noise excited linear oscillator obtained from the elasto-plastic oscillator by totally removing the plastic domain. Thus the key to the applicability of the method is that the oscillator has a linear domain within which the response stays for a sufficiently long time to make the random response behave...

  11. Nonlinear analysis of a structure loaded by a stochastic excitation

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    For a non-linear system excited by a stochastic load which is expressed as a time series, a recursive method based on the Z-transform is presented. To identify the obtained response time series, a discrete wavelet transform (DWT) technique is proposed.

  12. Dynamic Model of a Structure Carrying Stationary Humans and Assessment of its Response to Walking Excitation

    OpenAIRE

    Pedersen, Lars

    2007-01-01

    A flooring-system, e.g. a floor in a building, is excited dynamically when a person walks across the floor, and resonant excitation might bring structural vibrations to unacceptable levels. Stationary (non-moving) crowds of people might be present on the same floor and they will sense the floor vibrations, but they will also interact dynamically with the floor in a passive sense, thus altering the dynamic system excited to vibration by the walking person. Consequently, the vibration level of ...

  13. Structure and rotations of the Hoyle state

    CERN Document Server

    Epelbaum, Evgeny; Lähde, Timo; Lee, Dean; Meißner, Ulf-G

    2012-01-01

    The Hoyle state is one of the most interesting and important challenges in nuclear physics. This excited state of the 12C nucleus plays a key role in the fusion of three alpha particles to form carbon in red giant stars. In this letter we present ab initio lattice calculations which unravel the structure of this state and find evidence for a low-lying spin-2 rotational excitation. For the structure of the 12C ground state and first spin-2 state, we find a compact triangular configuration of alpha clusters. For the Hoyle state and second spin-2 state, we find a bent-arm or obtuse triangular configuration of alpha clusters. We calculate electromagnetic transition rates among the various low-lying states.

  14. Coherent and Incoherent Structural Dynamics in Laser-Excited Antimony

    CERN Document Server

    Waldecker, Lutz; Bertoni, Roman; Vasileiadis, Thomas; Garcia, Martin E; Zijlstra, Eeuwe S; Ernstorfer, Ralph

    2016-01-01

    We investigate the excitation of phonons in photoexcited antimony and demonstrate that the entire electron-lattice interactions, in particular coherent and incoherent electron-phonon coupling, can be probed simultaneously. Using femtosecond electron diffraction (FED) with high temporal resolution, we observe the coherent excitation of the fully symmetric \\Ag\\ optical phonon mode via the shift of the minimum of the atomic potential energy surface. Molecular dynamics simulations are performed to quantify the change in lattice potential and the associated real-space amplitude of the coherent atomic oscillations. In addition, our experimental configuration allows observing the energy transfer from electrons to phonons via incoherent electron-lattice scattering events. Applying a modified two-temperature model, the electron-phonon coupling is determined from the data as a function of electronic temperature.

  15. Seawater-flooding events and impact on freshwater lenses of low-lying islands: Controlling factors, basic management and mitigation

    Science.gov (United States)

    Gingerich, Stephen B.; Voss, Clifford I.; Johnson, Adam G.

    2017-08-01

    An unprecedented set of hydrologic observations was collected after the Dec 2008 seawater-flooding event on Roi-Namur, Kwajalein Atoll, Republic of the Marshall Islands. By two days after the seawater flooding that occurred at the beginning of dry season, the observed salinity of water withdrawn by the island's main skimming well increased to 100% seawater concentration, but by ten days later already decreased to only 10-20% of seawater fraction. However, the damaging impact on the potability of the groundwater supply (when pumped water had concentrations above 1% seawater fraction) lasted 22 months longer. The data collected make possible analyses of the hydrologic factors that control recovery and management of the groundwater-supply quality on Roi-Namur and on similar low-lying islands. With the observed data as a guide, three-dimensional numerical-model simulation analyses reveal how recovery is controlled by the island's hydrology. These also allow evaluation of the efficacy of basic water-quality management/mitigation alternatives and elucidate how groundwater withdrawal and timing of the seawater-flooding event affect the length of recovery. Simulations show that, as might be expected, by adding surplus captured rainwater as artificial recharge, the freshwater-lens recovery period (after which potable groundwater may again be produced) can be shortened, with groundwater salinity remaining lower even during the dry season, a period during which no artificial recharge is applied. Simulations also show that the recovery period is not lengthened appreciably by groundwater withdrawals during recovery. Simulations further show that had the flooding event occurred at the start of the wet season, the recovery period would have been about 25% (5.5 months) shorter than actually occurred during the monitored flood that occurred at the dry-season start. Finally, analyses show that artificial recharge improves freshwater-lens water quality, making possible longer use of

  16. Runoff Effect Evaluation of LID through SWMM in Typical Mountainous, Low-Lying Urban Areas: A Case Study in China

    Directory of Open Access Journals (Sweden)

    Qinghua Luan

    2017-06-01

    Full Text Available Urban flooding occurs frequently in many regions of China. To reduce the losses caused by urban flooding, sponge city (SPC and low-impact development (LID have been carried out in many Chinese cities. However, urban flooding is influenced by various factors, such as climate, land cover characteristics and nearby river networks, so it is necessary to evaluate the effectiveness of LID measures. In this study, the Storm Water Management Model (SWMM was adopted to simulate historical urban storm processes in the mountainous Fragrance Hills region of Beijing, China. Subsequently, numerical simulations were performed to evaluate how various LID measures (concave greenbelt, permeable pavement, bio-retention, vegetative swales, and comprehensive measures influenced urban runoff reduction. The results showed that the LID measures are effective in controlling the surface runoff of the storm events with return periods shorter than five years, in particular, for one-year events. Furthermore, the effectiveness on traffic congestion mitigation of several LID measures (concave greenbelt, vegetative swales, and comprehensive measures was evaluated. However, the effective return periods of storm events are shorter than two years if the effectiveness on traffic congestion relief is considered. In all evaluated aspects, comprehensive measures and concave greenbelts are the most effective, and vegetative swale is the least effective. This indicated that LID measures are less effective for removing ponding from most storm events in a mountainous, low-lying and backward pipeline infrastructure region with pressures from interval flooding and urban waterlogging. The engineering measures including water conservancy projects and pipeline infrastructure construction combined with the non-engineering measures were suggested to effectively control severe urban storms.

  17. Colonic J-pouch anal anastomosis after ultralow anterior resection with upper sphincter excision for low-lying rectal cancer

    Institute of Scientific and Technical Information of China (English)

    Jae-Gahb Park; Min Ro Lee; Seok-Byung Lim; Chang Won Hong; Sang Nam Yoon; Sung-Bum Kang; Seung Chul Heo; Seung-Yong Jeong; Kyu Joo Park

    2005-01-01

    AIM: There is some evidence of functional superiority of colonic J-pouch over straight coloanal anastomosis (CAA)in ultralow anterior resection (ULAR) or intersphincteric resection. On the assumption that colonic J-pouch anal anastomosis is superior to straight CAA in ULAR with upper sphincter excision (USE: excision of the upper part of the internal sphincter) for low-lying rectal cancer, we compare functional outcome of colonic J-pouch vs the straight CAA.METHODS: Fifty patients of one hundred and thirty-three rectal cancer patients in whom lower margin of the tumors were located between 3 and 5 cm from the anal verge received ULAR including USE from September 1998 to January 2002. Patients were randomized for reconstruction using either a straight (n = 26) or a colonic J-pouch anastomosis (n = 24) with a temporary diverting-loop ileostomy. All patients were followed-up prospectively by a standardized questionnaire [Fecal Inco-ntinence Severity Index (FISI) scores and Fecal Incontinence Quality of Life (FIQL) scales].RESULTS: We found that, compared to straight anastomosis patients, the frequency of defecation was significantly lower in J-pouch anastomosis patients for 10 mo afterileostomy takedown. The FISI scores and FIQL scales were significantly better in J-pouch patients than in straight patients at both 3 and 12 mo after ileostomy takedown.Furthermore, we found that FISI scores highly correlated with FIQL scales.CONCLUSION: This study indicates that colonic J-pouch anal anastomosis decreases the severity of fecal incontinence and improves the quality of life for 10 mo after ileostomy takedown in patients undergoing ULAR with USE forlow-lying rectal cancer.

  18. Electronic Structure and Excited-State Dynamics of an Arduengo-Type Carbene and its Imidazolone Oxidation Product.

    Science.gov (United States)

    Schmitt, Hans-Christian; Flock, Marco; Welz, Eileen; Engels, Bernd; Schneider, Heidi; Radius, Udo; Fischer, Ingo

    2017-03-02

    We describe an investigation of the excited-state dynamics of isolated 1,3-di-tert-butyl-imidazoline-2-ylidene (tBu2 Im, C11 H20 N2 , m/z=180), an Arduengo-type carbene, by time- and frequency-resolved photoionization using a picosecond laser system. The energies of several singlet and triplet excited states were calculated by time-dependent density functional theory (TD-DFT). The S1 state of the carbene deactivates on a 100 ps time scale possibly by intersystem crossing. In the experiments we observed an additional signal at m/z=196, that was assigned to the oxidation product 1,3-di-tert-butyl-imidazolone, tBu2 ImO. It shows a well-resolved resonance-enhanced multiphoton ionization (REMPI) spectrum with an origin located at 36951 cm(-1) . Several low-lying vibrational bands could be assigned, with a lifetime that depends strongly on the excitation energy. At the origin the lifetime is longer than 3 ns, but drops to 49 ps at higher excess energies. To confirm formation of the imidazolone we also performed experiments on benzimidazolone (BzImO) for comparison. Apart from a redshift for BzImO the spectra of the two compounds are very similar. The TD-DFT values display a very good agreement with the experimental data.

  19. Structural System Identification with Extended Kalman Filter and Orthogonal Decomposition of Excitation

    Directory of Open Access Journals (Sweden)

    Y. Ding

    2014-01-01

    Full Text Available Both the structural parameter and external excitation have coupling influence on structural response. A new system identification method in time domain is proposed to simultaneously evaluate structural parameter and external excitation. The method can be used for linear and hysteresis nonlinear structural condition assessment based on incomplete structural responses. In this method, the structural excitation is decomposed by orthogonal approximation. With this approximation, the strongly time-variant excitation identification is transformed to gentle time-variant, even constant parameters identification. Then the extended Kalman filter is applied to simultaneously identify state vector including the structural parameters and excitation orthogonal parameters in state space based on incomplete measurements. The proposed method is validated numerically with the simulation of three-story linear and nonlinear structures subject to external force. The external force on the top floor and the structural parameters are simultaneously identified with the proposed system identification method. Results from both simulations indicate that the proposed method is capable of identifing the dynamic load and structural parameters fairly accurately with contaminated incomplete measurement for both of the linear and nonlinear structural systems.

  20. Lifetimes and structure of excited states of 115Sb

    Science.gov (United States)

    Lobach, Yu. N.; Bucurescu, D.

    1998-06-01

    Lifetimes of excited states of 115Sb were measured by the Doppler shift attenuation method in the (α,2nγ) reaction at Eα = 27.2 MeV. The experimental level scheme and the electromagnetic transition probabilities have been interpreted in terms of the interacting boson-fermion model. A reasonable agreement with the experiment was obtained for the positive-parity states. The experimental data also show the applicability of the cluster-vibrational model for the mixing of two 9/2+ states having different intrinsic configurations.

  1. Modal Estimation of Civil Structures Subject to Ambient and Harmonic Excitation

    DEFF Research Database (Denmark)

    Andersen, Palle; Brincker, Rune; Ventura, Carlos;

    2008-01-01

    In this paper addresses the problems of separating structural modes and harmonics arising from sinusoidal excitation. Though the problem is mostly know in mechanical engineering applications such as rotating machinery, some civil engineering applications experiences the same challenges. A robust ...

  2. Omnidirectional excitation of sidewall gap-plasmons in a hybrid gold-nanoparticle/aluminum-nanopore structure

    Science.gov (United States)

    Lumdee, Chatdanai; Kik, Pieter G.

    2016-06-01

    The gap-plasmon resonance of a gold nanoparticle inside a nanopore in an aluminum film is investigated in polarization dependent single particle microscopy and spectroscopy. Scattering and transmission measurements reveal that gap-plasmons of this structure can be excited and observed under normal incidence excitation and collection, in contrast to the more common particle-on-a-mirror structure. Correlation of numerical simulations with optical spectroscopy suggests that a local electric field enhancement factor in excess of 50 is achieved under normal incidence excitation, with a hot-spot located near the top surface of the structure. It is shown that the strong field enhancement from this sidewall gap-plasmon mode can be efficiently excited over a broad angular range. The presented plasmonic structure lends itself to implementation in low-cost, chemically stable, easily addressable biochemical sensor arrays providing large optical field enhancement factors.

  3. Magnetic Resonance Imaging Analysis of Peroneal Tendon Pathology Associated With Low-Lying Peroneus Brevis Muscle Belly: A Case-Control Study.

    Science.gov (United States)

    Highlander, Peter; Pearson, Kyle T; Burns, Patrick

    2015-10-01

    Low-lying peroneus brevis tendon muscle belly has been speculated to be an associated factor with symptomatic peroneal tendon pathology. Multiple studies have analyzed normal and anomalous anatomy associated with peroneal tendon pathology; however, no study has confirmed the clinical association between peroneal tendon pathology and low-lying peroneus brevis muscle belly. To identify the correlation of low-lying peroneus brevis muscle belly with peroneal tendon pathology. Case-control study; Level of evidence 3. The level of peroneus brevis muscle belly was compared between patients with symptomatic peroneal tendon pathology (experimental group) and asymptomatic individuals with otherwise normal lateral ankle using magnetic resonance images. Of the 32 consecutive patients with symptomatic peroneal tendon pathology, 28 (87.5%) demonstrated peroneus brevis muscle distal to the fibular groove while 53.8% of control patients demonstrated such findings (P = .022). The most common diagnosis associated with peroneal tendon pathology was ankle instability and osteochondral defect of the talus or tibial plafond. Peroneal tendon pathology in isolation was less common. Peroneal tendon pathology is often associated with lateral ankle instability and osteochondral defects of the ankle joint. Low-lying peroneus brevis muscle belly may be a common anatomic variant, but in the setting of instability it can become a source of pain and pathology secondary to overcrowding. Diagnostic, level III: Case-control study. © 2015 The Author(s).

  4. Spectrum and Structure of Excited Baryons with CLAS

    Science.gov (United States)

    Burkert, Volker D.

    2017-01-01

    In this contribution I discuss recent results in light quark baryon spectroscopy involving CLAS data and higher level analysis results from the partial wave analysis by the Bonn-Gatchina group. New baryon states were discovered largely based on the open strangeness production channels γp → K+Λ and γp → K+Σ0. The data illustrate the great potential of the kaon-hyperon channel in the discovery of higher mass baryon resonances in s-channel production. Other channels with discovery potential, such as γp → pω and γp → ϕp are also discussed. In the second part I will demonstrate on data the sensitivity of meson electroproduction to expose the active degrees of freedom underlying resonance transitions as a function of the probed distance scale. For several of the prominent excited states in the lower mass range the short distance behavior is described by a core of three dressed-quarks with running quark mass, and meson-baryon contributions make up significant parts of the excitation strength at large distances. Finally, I give an outlook of baryon resonance physics at the 12 GeV CEBAF electron accelerator. Talk presented at the CRC-16 Symposium, Bonn University, June 6-9, 2016.

  5. Spectrum and Structure of Excited Baryons with CLAS*

    Directory of Open Access Journals (Sweden)

    Burkert Volker D.

    2017-01-01

    Full Text Available In this contribution I discuss recent results in light quark baryon spectroscopy involving CLAS data and higher level analysis results from the partial wave analysis by the Bonn-Gatchina group. New baryon states were discovered largely based on the open strangeness production channels γp → K+Λ and γp → K+Σ0. The data illustrate the great potential of the kaon-hyperon channel in the discovery of higher mass baryon resonances in s-channel production. Other channels with discovery potential, such as γp → pω and γp → ϕp are also discussed. In the second part I will demonstrate on data the sensitivity of meson electroproduction to expose the active degrees of freedom underlying resonance transitions as a function of the probed distance scale. For several of the prominent excited states in the lower mass range the short distance behavior is described by a core of three dressed-quarks with running quark mass, and meson-baryon contributions make up significant parts of the excitation strength at large distances. Finally, I give an outlook of baryon resonance physics at the 12 GeV CEBAF electron accelerator.

  6. Low-energy Coulomb excitation of Sr,9896 beams

    Science.gov (United States)

    Clément, E.; Zielińska, M.; Péru, S.; Goutte, H.; Hilaire, S.; Görgen, A.; Korten, W.; Doherty, D. T.; Bastin, B.; Bauer, C.; Blazhev, A.; Bree, N.; Bruyneel, B.; Butler, P. A.; Butterworth, J.; Cederkäll, J.; Delahaye, P.; Dijon, A.; Ekström, A.; Fitzpatrick, C.; Fransen, C.; Georgiev, G.; Gernhäuser, R.; Hess, H.; Iwanicki, J.; Jenkins, D. G.; Larsen, A. C.; Ljungvall, J.; Lutter, R.; Marley, P.; Moschner, K.; Napiorkowski, P. J.; Pakarinen, J.; Petts, A.; Reiter, P.; Renstrøm, T.; Seidlitz, M.; Siebeck, B.; Siem, S.; Sotty, C.; Srebrny, J.; Stefanescu, I.; Tveten, G. M.; Van de Walle, J.; Vermeulen, M.; Voulot, D.; Warr, N.; Wenander, F.; Wiens, A.; De Witte, H.; Wrzosek-Lipska, K.

    2016-11-01

    The structure of neutron-rich Sr,9896 nuclei was investigated by low-energy safe Coulomb excitation of radioactive beams at the REX-ISOLDE facility, CERN, with the MINIBALL spectrometer. A rich set of transitional and diagonal E 2 matrix elements, including those for non-yrast structures, has been extracted from the differential Coulomb-excitation cross sections. The results support the scenario of a shape transition at N =60 , giving rise to the coexistence of a highly deformed prolate and a spherical configuration in 98Sr, and are compared to predictions from several theoretical calculations. The experimental data suggest a significant contribution of the triaxal degree of freedom in the ground state of both isotopes. In addition, experimental information on low-lying states in 98Rb has been obtained.

  7. Description of collective and quasiparticle excitations in deformed actinide nuclei: The first application of the Heavy Shell Model

    CERN Document Server

    Cui, Ji-Wei; Chen, Fang-Qi; Sun, Yang; Wu, Cheng-Li; Gao, Zao-Chun

    2014-01-01

    The Heavy Shell Model (HSM) (Y. Sun and C.-L. Wu, Phys. Rev. C 68, 024315 (2003)) was proposed to take the advantages of two existing models, the projected shell model (PSM) and the Fermion Dynamical Symmetry Model (FDSM). To construct HSM, one extends the PSM by adding collective D-pairs into the intrinsic basis. The HSM is expected to describe simultaneously low-lying collective and quasi-particle excitations in deformed nuclei, and still keeps the model space tractable even for the heaviest systems. As the first numerical realization of the HSM, we study systematically the band structures for some deformed actinide nuclei, with a model space including up to 4-quasiparticle and 1-D-pair configurations. The calculated energy levels for the ground- state bands, the collective bands such as {\\beta} - and {\\gamma} -bands, and some quasiparticle bands agree well with known experimental data. Some low-lying quasiparticle bands are predicted, awaiting experimental confirmation.

  8. Ultrafast modulation of electronic structure by coherent phonon excitations

    Science.gov (United States)

    Weisshaupt, J.; Rouzée, A.; Woerner, M.; Vrakking, M. J. J.; Elsaesser, T.; Shirley, E. L.; Borgschulte, A.

    2017-02-01

    Femtosecond x-ray absorption spectroscopy with a laser-driven high-harmonic source is used to map ultrafast changes of x-ray absorption by femtometer-scale coherent phonon displacements. In LiBH4, displacements along an Ag phonon mode at 10 THz are induced by impulsive Raman excitation and give rise to oscillatory changes of x-ray absorption at the Li K edge. Electron density maps from femtosecond x-ray diffraction data show that the electric field of the pump pulse induces a charge transfer from the BH4- to neighboring Li+ ions, resulting in a differential Coulomb force that drives lattice vibrations in this virtual transition state.

  9. Coastline evolution of Portuguese low-lying sandy coast in the last 50 years: an integrated approach

    Science.gov (United States)

    Ponte Lira, Cristina; Nobre Silva, Ana; Taborda, Rui; Freire de Andrade, Cesar

    2016-06-01

    Regional/national-scale information on coastline rates of change and trends is extremely valuable, but these studies are scarce. A widely accepted standardized methodology for analysing long-term coastline change has been difficult to achieve, but it is essential to conduct an integrated and holistic approach to coastline evolution and hence support coastal management actions. Additionally, databases providing knowledge on coastline evolution are of key importance to support both coastal management experts and users.The main objective of this work is to present the first systematic, national-scale and consistent long-term coastline evolution data of Portuguese mainland low-lying sandy coasts.The methodology used quantifies coastline evolution using a unique and robust coastline indicator (the foredune toe), which is independent of short-term changes.The dataset presented comprises (1) two polyline sets, mapping the 1958 and 2010 sandy beach-dune system coastline, both optimized for working at 1 : 50 000 scale or smaller; (2) one polyline set representing long-term change rates between 1958 and 2010, each estimated at 250 m; and (3) a table with minimum, maximum and mean of evolution rates for sandy beach-dune system coastline. All science data produced here are openly accessible at https://doi.pangaea.de/10.1594/PANGAEA.859136" target="_blank">https://doi.pangaea.de/10.1594/PANGAEA.859136 and can be used in other studies.Results show beach erosion as the dominant trend, with a mean change rate of -0.24 ± 0.01 m year-1 for all mainland Portuguese beach-dune systems. Although erosion is dominant, this evolution is variable in signal and magnitude in different coastal sediment cells and also within each cell. The most relevant beach erosion issues were found in the coastal stretches of Espinho-Torreira and Costa Nova-Praia de Mira, Cova da Gala-Leirosa, and Cova do Vapor-Costa da Caparica. The coastal segments Minho River-Nazaré and Costa da Caparica adjacent to the

  10. Seawater-flooding events and impact on freshwater lenses of low-lying islands: Controlling factors, basic management and mitigation

    Science.gov (United States)

    Gingerich, Stephen B.; Voss, Clifford I.; Johnson, Adam G.

    2017-01-01

    An unprecedented set of hydrologic observations was collected after the Dec 2008 seawater-flooding event on Roi-Namur, Kwajalein Atoll, Republic of the Marshall Islands. By two days after the seawater flooding that occurred at the beginning of dry season, the observed salinity of water withdrawn by the island’s main skimming well increased to 100% seawater concentration, but by ten days later already decreased to only 10–20% of seawater fraction. However, the damaging impact on the potability of the groundwater supply (when pumped water had concentrations above 1% seawater fraction) lasted 22 months longer. The data collected make possible analyses of the hydrologic factors that control recovery and management of the groundwater-supply quality on Roi-Namur and on similar low-lying islands.With the observed data as a guide, three-dimensional numerical-model simulation analyses reveal how recovery is controlled by the island’s hydrology. These also allow evaluation of the efficacy of basic water-quality management/mitigation alternatives and elucidate how groundwater withdrawal and timing of the seawater-flooding event affect the length of recovery. Simulations show that, as might be expected, by adding surplus captured rainwater as artificial recharge, the freshwater-lens recovery period (after which potable groundwater may again be produced) can be shortened, with groundwater salinity remaining lower even during the dry season, a period during which no artificial recharge is applied. Simulations also show that the recovery period is not lengthened appreciably by groundwater withdrawals during recovery. Simulations further show that had the flooding event occurred at the start of the wet season, the recovery period would have been about 25% (5.5 months) shorter than actually occurred during the monitored flood that occurred at the dry-season start. Finally, analyses show that artificial recharge improves freshwater-lens water quality, making possible longer

  11. Assessment of Damage in Seismically Excited RC-Structures from a Single Measured Response

    DEFF Research Database (Denmark)

    Skjærbæk, P. S.; Nielsen, Søren R. K.; Cakmak, A. S.

    1996-01-01

    A method has been developed for the localization of structural damage of substructures of seismically excited RC-structures using only the ground surface acceleration time series and a single response time series. From the response, the smoothed two lowest eigenfrequencies are estimated. The dist......A method has been developed for the localization of structural damage of substructures of seismically excited RC-structures using only the ground surface acceleration time series and a single response time series. From the response, the smoothed two lowest eigenfrequencies are estimated...

  12. Fine Structure Zonal Flow Excitation by Beta-induced Alfven Eigenmode

    CERN Document Server

    Qiu, Zhiyong; Zonca, Fulvio

    2016-01-01

    Nonlinear excitation of low frequency zonal structure (LFZS) by beta-induced Alfven eigenmode (BAE) is investigated using nonlinear gyrokinetic theory. It is found that electrostatic zonal flow (ZF), rather than zonal current, is preferentially excited by finite amplitude BAE. In addition to the well-known meso-scale radial envelope structure, ZF is also found to exhibit fine radial structure due to the localization of BAE with respect to mode rational surfaces. Specifically, the zonal electric field has an even mode structure at the rational surface where radial envelope peaks.

  13. Spectrum and Structure of Excited Baryons with CLAS

    CERN Document Server

    Burkert, Volker D

    2016-01-01

    In this contribution we discuss recent results in light quark baryon spectroscopy involving CLAS data and higher level analysis results from the partial wave analysis by the Bonn-Gatchina group. New baryon states were discovered largely based on the open strangeness production channels $\\gamma p \\to K^+ \\Lambda$ and $\\gamma p \\to K^+ \\Sigma^0$. The data illustrate the great potential of the kaon-hyperon channel in the discovery of higher mass baryon resonances in s-channel production. Other channels with discovery potential, such as $\\gamma p \\to p \\omega$ and $\\gamma p \\to \\phi p$ are also discussed. In the second part I will demonstrate on data the sensitivity of meson electroproduction to expose the active degrees of freedom underlying resonance transitions as a function of the probed distance scale. For several of the prominent excited states in the lower mass range the short distance behavior is described by a core of three dressed-quarks with running quark mass, and meson-baryon contributions make up si...

  14. Resonances in nonlinear structure vibrations under multifrequency excitations

    Energy Technology Data Exchange (ETDEWEB)

    El-Bassiouny, A F [Faculty of Science, Mathematics Department, Benha University, Benha 1358 (Egypt); El-Latif, G M Abd [Faculty of Science, Mathematics Department, Sohag University, Sohag (Egypt)

    2006-10-15

    The response of a single-degree-of-freedom system with quadratic, cubic and quartic nonlinearities subjected to a sinusoidal excitation that involves multiple frequencies is considered. The method of multiple scales is used to construct a first order uniform expansion yielding two first-order nonlinear ordinary differential equations that are derived for the evolution of the amplitude and phase. These oscillations involve a subharmonic oscillation of order one-fourth and superharmonic oscillation of order two. Steady state responses and their stability are computed for selected values of the system parameters. The effects of these (quadratic, cubic, and quartic) nonlinearities on these oscillations are specifically investigated. With this study, it has been verified that the qualitative effects of these nonlinearities are different. Regions of hardening (softening) behaviour of the system exist for the case of subharmonic resonance. The response curve is not affected by decreasing the damping factor for the case of superharmonic resonance. It is shown that the response curve contracts or expands as the parameters vary. The multivalued region increases or decreases when some parameters vary.

  15. Perfect optical vortex enhanced surface plasmon excitation for plasmonic structured illumination microscopy imaging

    Science.gov (United States)

    Zhang, Chonglei; Min, Changjun; Du, Luping; Yuan, X.-C.

    2016-05-01

    We propose an all-optical technique for plasmonic structured illumination microscopy (PSIM) with perfect optical vortex (POV). POV can improve the efficiency of the excitation of surface plasma and reduce the background noise of the excited fluorescence. The plasmonic standing wave patterns are excited by POV with fractional topological charges for accurate phase shift of {-2π/3, 0, and 2π/3}. The imaging resolution of less than 200 nm was produced. This PSIM technique is expected to be used as a wide field, super resolution imaging technique in dynamic biological imaging.

  16. Dynamic Model of a Structure Carrying Stationary Humans and Assessment of its Response to Walking Excitation

    DEFF Research Database (Denmark)

    Pedersen, Lars

    2007-01-01

    vibrations, but they will also interact dynamically with the floor in a passive sense, thus altering the dynamic system excited to vibration by the walking person. Consequently, the vibration level of the floor is likely to depend on the presence and size of the stationary crowd. It is also known......A flooring-system, e.g. a floor in a building, is excited dynamically when a person walks across the floor, and resonant excitation might bring structural vibrations to unacceptable levels. Stationary (non-moving) crowds of people might be present on the same floor and they will sense the floor...... that different techniques (different parameters calculated from structural response time series) are proposed for assessing floor serviceability. The paper looks into the influence of the stationary crowd of people on the floor response to walking excitation and into the influence of the crowd on different...

  17. The Blackwater NWR inundation model. Rising sea level on a low-lying coast: land use planning for wetlands

    Science.gov (United States)

    Larsen, Curt; Clark, Inga; Guntenspergen, Glenn; Cahoon, Don; Caruso, Vincent; Hupp, Cliff; Yanosky, Tom

    2004-01-01

    shallow water surfaces has solved this problem. Our team has developed a detailed LIDAR map of the BNWR area at a 30 centimeter (ca. 1 ft) contour interval (figure 2). The new map allows us to identify the present marsh vegetation zones and to predict the location and area of future zones on a decade-by- decade basis over the next century at increments of sea level rise on the order of 3 cm/decade (ca. 1 inch). We have developed two scenarios for the model. The first is a steady-state model that uses the historic rate of sea level rise of 3.1 mm/yr to predict marsh areas. The second is a 'global warming' scenario utilizing a conservative IPCC model with an exponentially-increasing rate of sea level rise. Under either scenario, the BNWR is progressively inundated with an expanding core of open water. Although their positions change in the future, the areas of intertidal marsh as well as those of the critical high marsh remain fairly constant until the year 2050. Beyond that time, the low-lying land surface is overtopped by rising sea level and the area is dominated by open water. Our model suggests that wetland habitat in the Blackwater area might be maintained and sustained through a combination of public and private preservation efforts through easements in combination with judicious Federal land acquisition into the predicted areas of suitable marsh formation - but for only the next 50 years. Beyond that time much of this area will become open water.

  18. Assessment of excitation mechanisms and structural flexibility influence in excitation propagation in multi-megawatt wind turbine gearboxes: Experiments and flexible multibody model optimization

    Science.gov (United States)

    Helsen, Jan; Marrant, Ben; Vanhollebeke, Frederik; De Coninck, Filip; Berckmans, Dries; Vandepitte, Dirk; Desmet, Wim

    2013-10-01

    Reliable gearbox design calculations require sufficient insight in gearbox dynamics, which is determined by the interaction between the different excitation mechanisms and the gearbox modal behavior. Both external gearbox excitation originating from the wind turbine drive train and internal gearbox excitation are important. Moreover with regard to the modal behavior the different gearbox structural components: planet carrier, shafts and housing are of influence. The main objective of this article is the experimental investigation of the interaction between the different excitation mechanisms and the gearbox modal behavior. The insights gathered are used to prove the need for accurate gear mesh representation and structural flexibility within the corresponding flexible multibody gearbox simulation model. Experiments are conducted on a dynamic 13.2 MW test facility on which two multi-megawatt wind turbine gearboxes are placed back to back and subjected to a speed run-up. Measurement sensors consist of bearing displacement sensors, torque sensors, encoders and accelerometers distributed over the gearbox. Excitation order amplitudes on different locations in the gearbox are determined by means of a Time Varying Discrete Fourier Transform (TVDFT) order tracking on the measured sensor signals. Moreover the propagation of this excitation throughout the gearbox is assessed. Relating the orders to the corresponding excitation source allows the definition of order influence regions within the gearbox. The interaction between the gear mesh order excitation and structural flexibility is shown.

  19. Accurate calculations of the ground state and low-lying excited states of the (RbBa)+ molecular ion: a proposed system for ultracold reactive collisions

    DEFF Research Database (Denmark)

    Knecht, Stefan; Sørensen, Lasse Kragh; Jensen, Hans Jørgen Aagaard

    2010-01-01

    Collisions of ultracold Ba+ ions on a Rb Bose–Einstein condensate have been suggested as a possible benchmark system for ultracold ion-neutral collision experiments. However, a priori knowledge of the possible processes is desirable. For this purpose, we here present high-level four-component cou...

  20. Experimental study of modal parameter identification in a simulated ambient-excited structure

    Institute of Scientific and Technical Information of China (English)

    JI Xiaodong; QIAN Jiaru; XU Longhe

    2007-01-01

    Structure modal parameter online identification was used to monitor the structural health as evidenced by changes in the vibration characteristics.The natural excitation technique and the eigensystem realization algorithm were combined to identify the modal parameters in the time domain of a structure excited by simulated ambient vibrations.The mass-normalized mode shapes were obtained from the eigen-sensitivity analysis.The experimental modal analysis was performed on a two-story steel braced frame model excited by simulated ambient vibrations and hammer impacts.The mass-normalized mode shapes were acquired by changing the structural mass and by eigen-sensitivity analysis.From finite element analysis results and the experimental data,it is shown that this method is effective.

  1. Nonlinear variable structure excitation and steam valving controllers for power system stability

    Institute of Scientific and Technical Information of China (English)

    Ben WANG; Zongyuan MAO

    2009-01-01

    A set of novel nonlinear variable structure excitation and steam-valving controllers are proposed in this paper.On the basis of the classical dynamic equations of a generator,excitation control and steam valving control are si-multaneously considered.Design of these controllers combines the differential geometry theory with the variable structure controlling theory.The mathematical model in the form of "an affine nonlinear system" is set up for the control design of a large-scale power plant.The dynamic performance of the nonlinear variable structure controllers proposed for a single ma-chine connected to an infinite bus power system is simulated.Simulation results show that the nonlinear variable structure excitation and steam-valving controllers give satisfactory dynamic performance and good robustness.

  2. Excitation of a double corrugation slow-wave structure in terahertz range

    DEFF Research Database (Denmark)

    Zhurbenko, Vitaliy; Krozer, Viktor; Kotiranta, Mikko;

    2011-01-01

    In spite of the fact that the technology is constantly advancing, the realization of terahertz components is still heavily constrained by problems arising from technological limitations. As a result, the design of terahertz components still remains a challenging problem. In this work, an excitation...... problem of a terahertz double corrugation slow-wave structure is considered and practical realization of the structure using currently available technological processes is discussed. The parameters of the realized excitation structure are optimized for vacuum electronics applications while taking...

  3. Ab initio nuclear structure from lattice effective field theory

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Dean [Department of Physics, North Carolina State University, Raleigh NC 27695 (United States)

    2014-11-11

    This proceedings article reviews recent results by the Nuclear Lattice EFT Collaboration on an excited state of the {sup 12}C nucleus known as the Hoyle state. The Hoyle state plays a key role in the production of carbon via the triple-alpha reaction in red giant stars. We discuss the structure of low-lying states of {sup 12}C as well as the dependence of the triple-alpha reaction on the masses of the light quarks.

  4. Properties of low-lying intruder states in 34Aland 34Sipopulated in the beta-decay of 34Mg

    CERN Document Server

    Lică, R; Negoită, F; Grévy, S; Mărginean, N; Desagne, Ph; Stora, T; Borcea, C; Borcea, R; Călinescu, S; Daugas, J M; Filipescu, D; Kuti, I; Fraile, L M; Franchoo, S; Gheorghe, I; Ghită, D G; Mărginean, R; Mihai, C; Mourface, P; Morel, P; Mrazek, J; Negret, A; Pietreanu, D; Sava, T; Sohler, D; Stănoiu, M; Stefan, I; Şuvăilă, R; Toma, S; Ur, C A

    2015-01-01

    The results of the IS530 experiment at ISOLDE revealed new information concerning several nuclei close to the N ≈ 20 'Island of Inversion' - 34Mg, 34Al, 34Si. The half-life of 34Mgwas found to be three times larger than the adopted value (63(1) ms instead of 20(10) ms). The beta-gamma spectroscopy of 34Mgperformed for the first time in this experiment, led to the first experimental level scheme for 34Al, also showing that the full beta strength goes through the predicted 1+ isomer in 34Al[1] and/or excited states that deexcite to it. The subsequent beta-decay of the 1+ isomer in 34Alallowed the observation of new gamma lines in 34Si, (tentatively) associated with low-spin high-energy excited states previously unobserved.

  5. Isospin Character of Low-Lying Pygmy Dipole States in Pb208 via Inelastic Scattering of O17 Ions

    Science.gov (United States)

    Crespi, F. C. L.; Bracco, A.; Nicolini, R.; Mengoni, D.; Pellegri, L.; Lanza, E. G.; Leoni, S.; Maj, A.; Kmiecik, M.; Avigo, R.; Benzoni, G.; Blasi, N.; Boiano, C.; Bottoni, S.; Brambilla, S.; Camera, F.; Ceruti, S.; Giaz, A.; Million, B.; Morales, A. I.; Vandone, V.; Wieland, O.; Bednarczyk, P.; Ciemała, M.; Grebosz, J.; Krzysiek, M.; Mazurek, K.; Zieblinski, M.; Bazzacco, D.; Bellato, M.; Birkenbach, B.; Bortolato, D.; Calore, E.; Cederwall, B.; Charles, L.; de Angelis, G.; Désesquelles, P.; Eberth, J.; Farnea, E.; Gadea, A.; Görgen, A.; Gottardo, A.; Isocrate, R.; Jolie, J.; Jungclaus, A.; Karkour, N.; Korten, W.; Menegazzo, R.; Michelagnoli, C.; Molini, P.; Napoli, D. R.; Pullia, A.; Recchia, F.; Reiter, P.; Rosso, D.; Sahin, E.; Salsac, M. D.; Siebeck, B.; Siem, S.; Simpson, J.; Söderström, P.-A.; Stezowski, O.; Theisen, Ch.; Ur, C.; Valiente-Dobón, J. J.

    2014-07-01

    The properties of pygmy dipole states in Pb208 were investigated using the Pb208(O17, O17'γ) reaction at 340 MeV and measuring the γ decay with high resolution with the AGATA demonstrator array. Cross sections and angular distributions of the emitted γ rays and of the scattered particles were measured. The results are compared with (γ, γ') and (p, p') data. The data analysis with the distorted wave Born approximation approach gives a good description of the elastic scattering and of the inelastic excitation of the 2+ and 3- states. For the dipole transitions a form factor obtained by folding a microscopically calculated transition density was used for the first time. This has allowed us to extract the isoscalar component of the 1- excited states from 4 to 8 MeV.

  6. Isospin character of low-lying pygmy dipole states in 208Pb via inelastic scattering of 17O ions.

    Science.gov (United States)

    Crespi, F C L; Bracco, A; Nicolini, R; Mengoni, D; Pellegri, L; Lanza, E G; Leoni, S; Maj, A; Kmiecik, M; Avigo, R; Benzoni, G; Blasi, N; Boiano, C; Bottoni, S; Brambilla, S; Camera, F; Ceruti, S; Giaz, A; Million, B; Morales, A I; Vandone, V; Wieland, O; Bednarczyk, P; Ciemała, M; Grebosz, J; Krzysiek, M; Mazurek, K; Zieblinski, M; Bazzacco, D; Bellato, M; Birkenbach, B; Bortolato, D; Calore, E; Cederwall, B; Charles, L; de Angelis, G; Désesquelles, P; Eberth, J; Farnea, E; Gadea, A; Görgen, A; Gottardo, A; Isocrate, R; Jolie, J; Jungclaus, A; Karkour, N; Korten, W; Menegazzo, R; Michelagnoli, C; Molini, P; Napoli, D R; Pullia, A; Recchia, F; Reiter, P; Rosso, D; Sahin, E; Salsac, M D; Siebeck, B; Siem, S; Simpson, J; Söderström, P-A; Stezowski, O; Theisen, Ch; Ur, C; Valiente-Dobón, J J

    2014-07-04

    The properties of pygmy dipole states in 208Pb were investigated using the 208Pb(17O, 17O'γ) reaction at 340 MeV and measuring the γ decay with high resolution with the AGATA demonstrator array. Cross sections and angular distributions of the emitted γ rays and of the scattered particles were measured. The results are compared with (γ, γ') and (p, p') data. The data analysis with the distorted wave Born approximation approach gives a good description of the elastic scattering and of the inelastic excitation of the 2+ and 3- states. For the dipole transitions a form factor obtained by folding a microscopically calculated transition density was used for the first time. This has allowed us to extract the isoscalar component of the 1- excited states from 4 to 8 MeV.

  7. Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

    Science.gov (United States)

    Neville, Simon P.; Averbukh, Vitali; Ruberti, Marco; Yun, Renjie; Patchkovskii, Serguei; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

    2016-10-01

    We investigate the sensitivity of X-ray absorption spectra, simulated using a general method, to properties of molecular excited states. Recently, Averbukh and co-workers [M. Ruberti et al., J. Chem. Phys. 140, 184107 (2014)] introduced an efficient and accurate L 2 method for the calculation of excited state valence photoionization cross-sections based on the application of Stieltjes imaging to the Lanczos pseudo-spectrum of the algebraic diagrammatic construction (ADC) representation of the electronic Hamiltonian. In this paper, we report an extension of this method to the calculation of excited state core photoionization cross-sections. We demonstrate that, at the ADC(2)x level of theory, ground state X-ray absorption spectra may be accurately reproduced, validating the method. Significantly, the calculated X-ray absorption spectra of the excited states are found to be sensitive to both geometric distortions (structural dynamics) and the electronic character (electronic dynamics) of the initial state, suggesting that core excitation spectroscopies will be useful probes of excited state non-adiabatic dynamics. We anticipate that the method presented here can be combined with ab initio molecular dynamics calculations to simulate the time-resolved X-ray spectroscopy of excited state molecular wavepacket dynamics.

  8. MOEA-Based Fuzzy Control for Seismically Excited Structures

    Science.gov (United States)

    Ning, Xiang-Liang; Tan, Ping; Zhou, Fu-Lin

    To guarantee the safety and functionality of structures simultaneously at different levels of seismic loadings, this paper proposes a multi-objective switching fuzzy control (MOSFC) strategy. MOSFC functions as a trigger with two control states considered. When the structure is at the state of linear, the main objection of control is the peak acceleration. On the other hand, once the nonlinear appears, the control of peak inter-storey drift is the main objection. Multi-objective genetic algorithm, NSGA-II, is employed for optimizing the fuzzy control rules. A scaled model of a six-storey building with two MR dampers installed at the two bottom floors is simulated here. Linear and Nonlinear numerical simulations demonstrate the effectiveness and robustness.

  9. Effect of Low-lying Land Environment on Abundance of Cotton Spider Mites and Total Phenolic Content of Leaves and their Relationship

    Directory of Open Access Journals (Sweden)

    Yanfang Pei

    2013-04-01

    Full Text Available The possible advantage of cotton production established in low-lying land area over intensive culture pond was systematically investigated by comparing the abundance of cotton spider mites on these plants to that in conventional production areas at the Jiangbei farm, Hubei Province, China, over the period 26 May and 11 September 2011. Cotton fields (Ezamian No. 24F1 recently grown at low-lying land area supported significantly lower populations of cotton spider mites than conventional long established cotton fields. There were no significant differences in mite populations between cotton fields established in low-lying land area in the current year or 1 or 2 years earlier. The pest control advantage provided by pond areas was present whether or not acaricides were used. The total phenolic content of cotton leaves differed occasionally between treatments but did not seem to have affected the abundance of mites. The number of eggs, larva-nymph-adults, egg-larva-nymph-adults, the percentage of host plants colonized by cotton spider mites and the plant damage index were independent of the total phenolic content in leaves. The results are discussed in relation to integrated pest management and the mineral balance hypothesis.

  10. Characterising excited states in and around the semi-magic nucleus $^{68}$ Ni using Coulomb excitation and one-neutron transfer

    CERN Multimedia

    It is proposed to investigate the structure of excited states in $^{68, 70}$Ni(Z =28, N=40, 42) via the measurement of electromagnetic matrix elements in a Coulomb excitation experiment in order to study the N = 40 harmonic-oscillator shell and the Z = 28 proton shell closures. The measured B(E2) values connecting low-lying 0$^{+}$ and 2$^{+}$ can be compared to shell-model predictions. It is also proposed to perform the one-neutron transfer reaction ${d}$($^{68}$Ni,$^{69}$Ni)${p}$, with the aim of populating excited states in $^{69}$Ni. Comparisons with the states populated in the recently performed ${d}$($^{66}$Ni,$^{67}$Ni)${p}$ reaction will be useful in determining the role of the neutron $d_{5/2}$ orbital in the semi-magic properties of $^{68}$Ni.

  11. The S1 ← S0 fluorescence excitation spectrum and structure of propanal in the S1 excited electronic state.

    Science.gov (United States)

    Godunov, I A; Yakovlev, N N; Terentiev, R V; Maslov, D V; Abramenkov, A V

    2016-06-01

    We have obtained and analyzed the S1 ← S0 fluorescence excitation spectra of jet-cooled propanal-h1 (CH3CH2CHO) and -d1 (CH3CH2CDO). Using the results of theoretical studies of the structure of propanal molecule in the S1 lowest excited singlet electronic state, we have assigned the bands of both spectra to the vibronic transitions of the cis conformer (in the S0 ground electronic state) to the 1 and 3 conformers (in the S1 state) differed by the angle of the C2H5 ethyl group rotation around the central C-C bond. The origins of the 1 ← cis and 3 ← cis electronic transitions have been observed at 29 997 and 30 075 cm(-1) for propanal-h1 and at 30 040 and 30 115 cm(-1) for propanal-d1, respectively. The high activity of torsional (C2H5 ethyl groups) and inversional (CCHO/CCDO carbonyl fragments) vibrations and the intensity distribution of the bands in torsional sequences (passing through maximum) are in agreement with the theoretical prediction that the S1 ← S0 electronic excitation of the cis conformer causes (after geometrical relaxation) the pyramidalization of carbonyl fragments and the rotation of ethyl groups around the central C-C bond. A number of energy levels have been found for torsional and inversional vibrations, and also fundamentals of ν10 (CCO bend) and ν13 (CCC bend) for the both 1 and 3 conformers of propanal-h1 and -d1 have been found. Then the "experimental" potential functions of inversion for the pair of the 1 and 3 conformers have been determined. The heights of potential barriers to inversion and the angle values corresponding to the minima of potential functions of inversion are 900 cm(-1) and 35° for propanal-h1 and 820 cm(-1) and 34° for propanal-d1, respectively.

  12. NUMERICAL PREDICTION OF PROPELLER EXCITED ACOUSTIC RESPONSE OF SUBMARINE STRUCTURE BASED ON CFD, FEM AND BEM

    Institute of Scientific and Technical Information of China (English)

    WEI Ying-san; WANG Yong-sheng; CHANG Shu-ping; FU Jian

    2012-01-01

    A mesh-less Refined Integral Algorithm (RIA) of Boundary Element Method (BEM) is proposed to accurately solve the Helmholtz Integral Equation (HIE).The convergence behavior and the practicability of the method are validated.Computational Fluid Dynamics (CFD),Finite Element Method (FEM) and RIA are used to predict the propeller excited underwater noise of the submarine hull structure.Firstly the propeller and submarine's flows are independently validated,then the self propulsion of the “submarine+propeller” system is simulated via CFD and the balanced point of the system is determined as well as the self propulsion factors.Secondly,the transient response of the “submarine + propeller” system is analyzed at the balanced point,and the propeller thrust and torque excitations are calculated.Thirdly the thrust and the torque excitations of the propeller are loaded on the submarine,respectively,to calculate the acoustic response,and the sound pover and the main peak frequencies are obtained.Results show that:(1) the thrust mainly excites the submarine axial mode and the high frequency area appears at the two conical-type ends,while the torque mainly excites the circumferential mode and the high frequency area appears at the broadside of the cylindrical section,but with rather smaller sound power and radiation efficiency than the former,(2) the main sound source appears at BPF and 2BPF and comes from the harmonic propeller excitations.So,the main attention should be paid on the thrust excitation control for the sound reduction of the propeller excited submarine structure.

  13. Structural Influence on Excited State Dynamics in Simple Amines

    DEFF Research Database (Denmark)

    Klein, Liv Bærenholdt

    is femtosecond time-resolved photoelectron velocity map imaging (VMI), which is a newtechnique in the Copenhagen lab. The design, building and implementation of the VMI spectrometer has been a very substantial part of the thesis work. This techniques oers enhanced information content in the form of ecient...... and sensitive collection of photoelectron spectra. In particular, the angleresolved data available from the VMI approach provides highly detailed mechanistic insight about the relaxation pathways. One striking novel nding is that for tertiary amines, the critical factor driving the non-adiabatic dynamics...... structure. The VMI technique has been found to be very useful in investigating the nature of the coupling between the states and provides hints to the fate of the 3s state which has previously been a mystery. This is in prominent contrast to the primary and secondary amines as well as previously...

  14. Structural Influence on Excited State Dynamics in Simple Amines

    DEFF Research Database (Denmark)

    Klein, Liv Bærenholdt

    is femtosecond time-resolved photoelectron velocity map imaging (VMI), which is a newtechnique in the Copenhagen lab. The design, building and implementation of the VMI spectrometer has been a very substantial part of the thesis work. This techniques oers enhanced information content in the form of ecient......Simple amines are basic model system of nitrogen-containing chromophores that appear widely in nature. They are also ideal systems for detailed investigation of nonadiabatic dynamical processes and ultrafast temporal evolution of electronic states of the Rydberg type. This investigation, combining...... experiments with calculations, provides new insight into the nature of the internal conversion processes that mediate the dynamical evolution between Rydberg states, and how structural variations in simple amine system have a large impact on the non-adiabatic processes. The experimental method of choice...

  15. Energetics and dynamics of the low-lying electronic states of constrained polyenes: implications for infinite polyenes.

    Science.gov (United States)

    Christensen, Ronald L; Enriquez, Miriam M; Wagner, Nicole L; Peacock-Villada, Alexandra Y; Scriban, Corina; Schrock, Richard R; Polívka, Tomáš; Frank, Harry A; Birge, Robert R

    2013-02-21

    Steady-state and ultrafast transient absorption spectra were obtained for a series of conformationally constrained, isomerically pure polyenes with 5-23 conjugated double bonds (N). These data and fluorescence spectra of the shorter polyenes reveal the N dependence of the energies of six (1)B(u)(+) and two (1)A(g)(-) excited states. The (1)B(u)(+) states converge to a common infinite polyene limit of 15,900 ± 100 cm(-1). The two excited (1)A(g)(-) states, however, exhibit a large (~9000 cm(-1)) energy difference in the infinite polyene limit, in contrast to the common value previously predicted by theory. EOM-CCSD ab initio and MNDO-PSDCI semiempirical MO theories account for the experimental transition energies and intensities. The complex, multistep dynamics of the 1(1)B(u)(+) → 2(1)A(g)(-) → 1(1)A(g)(-) excited state decay pathways as a function of N are compared with kinetic data from several natural and synthetic carotenoids. Distinctive transient absorption signals in the visible region, previously identified with S* states in carotenoids, also are observed for the longer polyenes. Analysis of the lifetimes of the 2(1)A(g)(-) states, using the energy gap law for nonradiative decay, reveals remarkable similarities in the N dependence of the 2(1)A(g)(-) decay kinetics of the carotenoid and polyene systems. These findings are important for understanding the mechanisms by which carotenoids carry out their roles as light-harvesting molecules and photoprotective agents in biological systems.

  16. Low-lying singlet states of carotenoids having 8-13 conjugated double bonds as determined by electronic absorption spectroscopy

    Science.gov (United States)

    Wang, Peng; Nakamura, Ryosuke; Kanematsu, Yasuo; Koyama, Yasushi; Nagae, Hiroyoshi; Nishio, Tomohiro; Hashimoto, Hideki; Zhang, Jian-Ping

    2005-07-01

    Electronic absorption spectra were recorded at room temperature in solutions of carotenoids having different numbers of conjugated double bonds, n = 8-13, including a spheroidene derivatives, neurosporene, spheroidene, lycopene, anhydrorhodovibrin and spirilloxanthin. The vibronic states of 1Bu+(v=0-4), 2Ag-(v=0-3), 3Ag- (0) and 1Bu- (0) were clearly identified. The arrangement of the four electronic states determined by electronic absorption spectroscopy was identical to that determined by measurement of resonance Raman excitation profiles [K. Furuichi et al., Chem. Phys. Lett. 356 (2002) 547] for carotenoids in crystals.

  17. Response of a shell structure subject to distributed harmonic excitation

    Science.gov (United States)

    Cao, Rui; Bolton, J. Stuart

    2016-09-01

    Previously, a coupled, two-dimensional structural-acoustic ring model was constructed to simulate the dynamic and acoustical behavior of pneumatic tires. Analytical forced solutions were obtained and were experimentally verified through laser velocimeter measurement made using automobile tires. However, the two-dimensional ring model is incapable of representing higher order, in-plane modal motion in either the circumferential or axial directions. Therefore, in this paper, a three-dimensional pressurized circular shell model is proposed to study the in-plane shearing motion and the effect of different forcing conditions. Closed form analytical solutions were obtained for both free and forced vibrations of the shell under simply supported boundary conditions. Dispersion relations were calculated and different wave types were identified by their different speeds. Shell surface mobility results under various input distributions were also studied and compared. Spatial Fourier series decompositions were also performed on the spatial mobility results to give the forced dispersion relations, which illustrate clearly the influence of input force spatial distribution. Such a model has practical application in identifying the sources of noise and vibration problems in automotive tires.

  18. "Parallel factor analysis of multi-excitation ultraviolet resonance Raman spectra for protein secondary structure determination".

    Science.gov (United States)

    Oshokoya, Olayinka O; JiJi, Renee D

    2015-09-10

    Protein secondary structural analysis is important for understanding the relationship between protein structure and function, or more importantly how changes in structure relate to loss of function. The structurally sensitive protein vibrational modes (amide I, II, III and S) in deep-ultraviolet resonance Raman (DUVRR) spectra resulting from the backbone C-O and N-H vibrations make DUVRR a potentially powerful tool for studying secondary structure changes. Experimental studies reveal that the position and intensity of the four amide modes in DUVRR spectra of proteins are largely correlated with the varying fractions of α-helix, β-sheet and disordered structural content of proteins. Employing multivariate calibration methods and DUVRR spectra of globular proteins with varying structural compositions, the secondary structure of a protein with unknown structure can be predicted. A disadvantage of multivariate calibration methods is the requirement of known concentration or spectral profiles. Second-order curve resolution methods, such as parallel factor analysis (PARAFAC), do not have such a requirement due to the "second-order advantage." An exceptional feature of DUVRR spectroscopy is that DUVRR spectra are linearly dependent on both excitation wavelength and secondary structure composition. Thus, higher order data can be created by combining protein DUVRR spectra of several proteins collected at multiple excitation wavelengths to give multi-excitation ultraviolet resonance Raman data (ME-UVRR). PARAFAC has been used to analyze ME-UVRR data of nine proteins to resolve the pure spectral, excitation and compositional profiles. A three factor model with non-negativity constraints produced three unique factors that were correlated with the relative abundance of helical, β-sheet and poly-proline II dihedral angles. This is the first empirical evidence that the typically resolved "disordered" spectrum represents the better defined poly-proline II type structure.

  19. Electron impact excitation of N3+ using the B-spline R-matrix method: importance of the target structure description and the size of the close-coupling expansion

    Science.gov (United States)

    Fernández-Menchero, L.; Zatsarinny, O.; Bartschat, K.

    2017-03-01

    There are major discrepancies between recent intermediate coupling frame transformation (ICFT) and Dirac atomic R-matrix code (DARC) calculations (Fernández-Menchero et al 2014 Astron. Astrophys. 566 A104; Aggarwal et al 2016 Mon. Not. R. Astron. Soc. 461 3997) regarding electron-impact excitation rates for transitions in several Be-like ions, as well as claims that the DARC calculations are much more accurate and the ICFT results might even be wrong. To identify possible reasons for these discrepancies and to estimate the accuracy of the various results, we carried out independent B-spline R-matrix calculations for electron-impact excitation of the Be-like ion {{{N}}}3+. Our close-coupling (CC) expansions contain the same target states (238 levels overall) as the previous ICFT and DARC calculations, but the representation of the target wave functions is completely different. We find close agreement among all calculations for the strong transitions between low-lying states, whereas there remain serious discrepancies for the weak transitions as well as for transitions to highly excited states. The differences in the final results for the collision strengths are mainly due to differences in the structure description, specifically the inclusion of correlation effects, rather than the treatment of relativistic effects or problems with the validity of the three methods to describe the collision. Hence there is no indication that one approach is superior to another, until the convergence of both the target configuration and the CC expansions have been fully established.

  20. Proton collisional excitation in the lowest lying 3P terms of ions in the Be and Mg isoelectronic sequences

    Science.gov (United States)

    Landman, D. A.; Brown, T.

    1979-01-01

    Proton collisional excitation cross sections and rate constants are presented for transitions between the 3P(J) fine-structure levels of the lowest-lying sp configurations in a number of astrophysically important ions belonging to the Be and Mg isoelectronic sequences. The calculations were made by direct integration of the Schroedinger equation resulting from semiclassical Coulomb excitation theory. The cross sections and rate constants for the 3P(J) transitions in the lowest-lying P(2) configurations are expected to be similar to those for the corresponding sp configuration transitions, and this is illustrated for C III. For the high-temperature ion Ca XVII alpha particle excitation is shown to be unimportant for situations involving ordinary values of the He/H abundance ratio. A simple, but apparently accurate method for determining certain radial integrals for low-lying excited configurations is proposed.

  1. On the glitches in the force transmitted by an electrodynamic exciter to a structure

    Science.gov (United States)

    Rao, Dantam K.

    1987-01-01

    Around resonance, the force transmitted by an exciter into a structure will be smaller or greater than a reference force generated by its coils due to electromechanical interaction. A simple analysis is presented which reveals how this phenomenon of force drop-off is controlled by three factors. The first factor, called Armature Mass Factor, describes a purely mechanical interaction between the structure and the exciter. The electromechanical energy conversion and its interaction with the structure yields two additional factors, called Electrical Resistance and Electrical Inductance Factors. They describe the effects of coil resistance, inductance and magnetic field strength relative to structural damping and stiffness. Present analysis indicates that, under proper circumstances, more than 90 percent of the force drop-off can be eliminated if armature-to-structure mass ratio is smaller or equal to half of modal loss factor.

  2. Monitoring and restabilizing structures under external excitations through detection and prediction of changes in structural properties

    Science.gov (United States)

    Sebastijanovic, Nebojsa

    The primary goal of this dissertation is the development of methods for prediction and detection of damage in structures under external excitations through the use of sensors and actuators. The first example involves developing an active flutter suppression algorithm for a flat panel in flight and space vehicles using embedded piezoceramic actuators. A basic eigenvector orientation approach is used to evaluate the possibility of controlling the onset of panel flutter. Eigenvectors for two consecutive modes are usually orthogonal and the onset of flutter condition can be observed earlier as they start to lose their orthogonality. Piezoelectric layers are assumed to be bonded to the top and bottom surfaces of the panel in order to provide counter-bending moments at joints between elements. The controllers are designed to modify the stiffness of the structure and re-stabilize the system; as a result, flutter occurrence can be offset to a higher flutter speed. To illustrate the applicability and effectiveness of the developed method, several simple wide beam examples using piezoelectric layers as actuators are studied and presented. Controllers based on different control objectives are considered and the effects of control moment locations are studied. Potential applications of this basic method may be straightforwardly applied to plate and shell structures of laminated composites. The second example includes developing a method for detecting, locating, and quantifying structural damage using acceleration measurements as feedback. This method directly uses time domain structural vibration measurements and the effects of different damages are decoupled in the controller design. The effectiveness of the proposed method is evaluated with illustrative examples of a three and an eight-story model as well as a single story steel frame model with changes in joint flexibility. Finally, the progress on developing a hybrid structural health monitoring system is presented through

  3. Fragmentation of low-lying hexadecapole states in even /sup 74 -82/Se and a RPA calculation

    Energy Technology Data Exchange (ETDEWEB)

    Ogino, K.; Kadota, Y.; Haga, H. (Kyoto Univ. (Japan). Faculty of Engineering); Matsuki, S.; Higo, T.; Shiba, T. (Kyoto Univ. (Japan). Inst. for Chemical Research); Sakamoto, N. (Nara Women' s Univ. (Japan). Dept. of Physics); Okuma, Y. (Osaka Univ. (Japan). Research Center for Nuclear Physics); Yanabu, T. (Kanazawa Univ. (Japan). Faculty of Education)

    1983-10-20

    The level schemes of the even /sup 74 -82/Se up to Esub(X)=5.0 MeV have been investigated with high-resolution inelastic proton scattering at Esub(p)=64.8 MeV. Several 4/sup +/ states with comparable strengths were found at Esub(X)=2.0-5.0 MeV in all isotopes studied. The energy weighted sum-rule fraction of the 4/sup +/ states in this region increases with decreasing neutron number from /sup 82/Se (1.0%) up to /sup 76/Se (3.7%), and then decreases in /sup 74/Se (2.6%). A RPA calculation with a pairing plus hexadecapole-hexadecapole interaction can well reproduce the distribution of the excitation energies and transition strengths for the hexadecapole states.

  4. Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaH

    Science.gov (United States)

    Shayesteh, Alireza; Alavi, S. Fatemeh; Rahman, Moloud; Gharib-Nezhad, Ehsan

    2017-01-01

    Ab initio potential energy curves have been calculated for the X2Σ+, A2Π, B2Σ+, 12Δ, E2Π and D2Σ+ states of CaH using the multi-reference configuration interaction method with large active space and basis sets. Transition dipole moments were calculated at Ca-H distances from 2.0 a0 to 14.0 a0, and excited state lifetimes were obtained. Our theoretical transition dipole moments can be combined with the available experimental data on the X2Σ+, A2Π and B2Σ+ states to calculate Einstein A coefficients for all rovibronic transitions of CaH appearing in solar and stellar spectra.

  5. Studies on structural safety in stochastically excited Duffing oscillator with double potential wells

    Institute of Scientific and Technical Information of China (English)

    Chunbiao Gan; Shimin He

    2007-01-01

    The effects of the Gaussian white noise excitation on structural safety due to erosion of safe basin in Duffing oscillator with double potential wells are studied in the present paper. By employing the well-developed stochastic Melnikov condition and Monte-Carlo method, various eroded basins are simulated in deterministic and stochastic cases of the system, and the ratio of safe initial points (RSIP) is presented in some given limited domain defined by the system's Hamiltonian for various parameters or first-passage times. It is shown that structural safety control becomes more difficult when the noise excitation is imposed on the system,and the fractal basin boundary may also appear when the system is excited by Gaussian white noise only. From the RSIP results in given limited domain, sudden discontinuous descents in RSIP curves may occur when the system is excited by harmonic or stochastic forces, which are different from the customary continuous ones in view of the first-passage problems. In addition, it is interesting to find that RSIP values can even increase with increasing driving amplitude of the external harmonic excitation when the Gaussian white noise is also present in the system.

  6. Plasmon-mediated synthesis of silver cubes with unusual twinning structures using short wavelength excitation.

    Science.gov (United States)

    Personick, Michelle L; Langille, Mark R; Zhang, Jian; Wu, Jinsong; Li, Shuyou; Mirkin, Chad A

    2013-06-10

    The plasmon-mediated synthesis of silver nanoparticles is a versatile synthetic method which leverages the localized surface plasmon resonance (LSPR) of nanoscale silver to generate particles with non-spherical shapes and control over dimensions. Herein, a method is reported for controlling the twinning structure of silver nanoparticles, and consequently their shape, via the plasmon-mediated synthesis, solely by varying the excitation wavelength between 400, 450, and 500 nm, which modulates the rate of Ag⁺ reduction. Shorter, higher energy excitation wavelengths lead to faster rates of reaction, which in turn yield structures containing a greater number of twin boundaries. With this method, silver cubes can be synthesized using 450 nm excitation, which represents the first time this shape has been realized by a plasmon-mediated synthetic approach. In addition, these cubes contain an unusual twinning structure composed of two intersecting twin boundaries or multiple parallel twin boundaries. With respect to their twinning structure, these cubes fall between planar-twinned and multiply twinned nanoparticles, which are synthesized using 500 and 400 nm excitation, respectively.

  7. Core level excitations — A fingerprint of structural and electronic properties of epitaxial silicene

    NARCIS (Netherlands)

    Friedlein, R.; Fleurence, A.; Aoyagi, K.; Jong, de M.P.; Van Bui, H.; Wiggers, F.B.; Yoshimoto, S.; Koitaya, T.; Shimizu, S.; Noritake, H.; Mukai, K.; Yoshinobu, J.; Yamada-Takamura, Y.

    2014-01-01

    From the analysis of high-resolution Si 2p photoelectron and near-edge x-ray absorption fine structure (NEXAFS) spectra, we show that core level excitations of epitaxial silicene on ZrB2(0001) thin films are characteristically different from those of sp 3-hybridized silicon. In particular, it is rev

  8. Estimating Modal Parameters of Civil Engineering Structures subject to Ambient and Harmonic Excitation

    DEFF Research Database (Denmark)

    Andersen, Palle; Brincker, Rune; Ventura, Carlos

    In this paper addresses the problems of separating structural modes and harmonics arising from sinusoidal excitation. Though the problem is mostly know in mechanical engineering applications such as rotating machinery, some civil engineering applications experiences the same challenges. A robust...... and fast harmonic detection procedure is presented and illustrated on a civil engineering case....

  9. Optimization of time-delayed feedback control of seismically excited building structures

    Institute of Scientific and Technical Information of China (English)

    Xue-ping LI; Wei-qiu ZHU; Zu-guang YING

    2008-01-01

    An optimization method for time-delayed feedback control of partially observable linear building structures subjected to seismic excitation is proposed. A time-delayed control problem of partially observable linear building structure under horizontal ground acceleration excitation is formulated and converted into that of completely observable linear structure by using separation principle. The time-delayed control forces are approximately expressed in terms of control forces without time delay. The control system is then governed by Ito stochastic differential equations for the conditional means of system states and then transformed into those for the conditional means of modal energies by using the stochastic averaging method for quasi-Hamiltonian systems. The control law is assumed to be modal velocity feedback control with time delay and the unknown control gains are determined by the modal performance indices. A three-storey building structure is taken as example to illustrate the proposal method and the numerical results are confirmed by using Monte Carlo simulation.

  10. Optically excited structural transition in atomic wires on surfaces at the quantum limit

    Science.gov (United States)

    Frigge, T.; Hafke, B.; Witte, T.; Krenzer, B.; Streubühr, C.; Samad Syed, A.; Mikšić Trontl, V.; Avigo, I.; Zhou, P.; Ligges, M.; von der Linde, D.; Bovensiepen, U.; Horn-von Hoegen, M.; Wippermann, S.; Lücke, A.; Sanna, S.; Gerstmann, U.; Schmidt, W. G.

    2017-03-01

    Transient control over the atomic potential-energy landscapes of solids could lead to new states of matter and to quantum control of nuclear motion on the timescale of lattice vibrations. Recently developed ultrafast time-resolved diffraction techniques combine ultrafast temporal manipulation with atomic-scale spatial resolution and femtosecond temporal resolution. These advances have enabled investigations of photo-induced structural changes in bulk solids that often occur on timescales as short as a few hundred femtoseconds. In contrast, experiments at surfaces and on single atomic layers such as graphene report timescales of structural changes that are orders of magnitude longer. This raises the question of whether the structural response of low-dimensional materials to femtosecond laser excitation is, in general, limited. Here we show that a photo-induced transition from the low- to high-symmetry state of a charge density wave in atomic indium (In) wires supported by a silicon (Si) surface takes place within 350 femtoseconds. The optical excitation breaks and creates In-In bonds, leading to the non-thermal excitation of soft phonon modes, and drives the structural transition in the limit of critically damped nuclear motion through coupling of these soft phonon modes to a manifold of surface and interface phonons that arise from the symmetry breaking at the silicon surface. This finding demonstrates that carefully tuned electronic excitations can create non-equilibrium potential energy surfaces that drive structural dynamics at interfaces in the quantum limit (that is, in a regime in which the nuclear motion is directed and deterministic). This technique could potentially be used to tune the dynamic response of a solid to optical excitation, and has widespread potential application, for example in ultrafast detectors.

  11. Optically excited structural transition in atomic wires on surfaces at the quantum limit.

    Science.gov (United States)

    Frigge, T; Hafke, B; Witte, T; Krenzer, B; Streubühr, C; Samad Syed, A; Mikšić Trontl, V; Avigo, I; Zhou, P; Ligges, M; von der Linde, D; Bovensiepen, U; Horn-von Hoegen, M; Wippermann, S; Lücke, A; Sanna, S; Gerstmann, U; Schmidt, W G

    2017-03-29

    Transient control over the atomic potential-energy landscapes of solids could lead to new states of matter and to quantum control of nuclear motion on the timescale of lattice vibrations. Recently developed ultrafast time-resolved diffraction techniques combine ultrafast temporal manipulation with atomic-scale spatial resolution and femtosecond temporal resolution. These advances have enabled investigations of photo-induced structural changes in bulk solids that often occur on timescales as short as a few hundred femtoseconds. In contrast, experiments at surfaces and on single atomic layers such as graphene report timescales of structural changes that are orders of magnitude longer. This raises the question of whether the structural response of low-dimensional materials to femtosecond laser excitation is, in general, limited. Here we show that a photo-induced transition from the low- to high-symmetry state of a charge density wave in atomic indium (In) wires supported by a silicon (Si) surface takes place within 350 femtoseconds. The optical excitation breaks and creates In-In bonds, leading to the non-thermal excitation of soft phonon modes, and drives the structural transition in the limit of critically damped nuclear motion through coupling of these soft phonon modes to a manifold of surface and interface phonons that arise from the symmetry breaking at the silicon surface. This finding demonstrates that carefully tuned electronic excitations can create non-equilibrium potential energy surfaces that drive structural dynamics at interfaces in the quantum limit (that is, in a regime in which the nuclear motion is directed and deterministic). This technique could potentially be used to tune the dynamic response of a solid to optical excitation, and has widespread potential application, for example in ultrafast detectors.

  12. Controlling the coexistence of structural phases and the optical properties of gallium nanoparticles with optical excitation

    Science.gov (United States)

    MacDonald, K. F.; Fedotov, V. A.; Pochon, S.; Stevens, G.; Kusmartsev, F. V.; Emel'yanov, V. I.; Zheludev, N. I.

    2004-08-01

    We have observed reversible structural transformations, induced by optical excitation at 1.55 μm, between the β, γ and liquid phases of gallium in self-assembled gallium nanoparticles, with a narrow size distribution around 50 nm, on the tip of an optical fiber. Only a few tens of nanowatts of optical excitation per particle are required to control the transformations, which take the form of a dynamic phase coexistence and are accompanied by substantial changes in the optical properties of the nanoparticle film. The time needed to achieve phase equilibrium is in the microsecond range, and increases sharply near the transition temperatures.

  13. About Modeling the Excitation Conditions of Cherenkov and Diffraction Radiations in Periodic Metal-dielectric Structures

    Directory of Open Access Journals (Sweden)

    G.S. Vorobjov

    2015-06-01

    Full Text Available General procedure for modeling the excitation conditions of Cherenkov and diffraction radiations in periodic metal-dielectric structures is described. It is based on the representation of the electron beam space-charge wave in the form of a dielectric waveguide surface-wave. On the experimental facility of millimeter-wave the basic modes of excitation conditions of spatial harmonics of the Cherenkov and diffraction radiations are simulated. The method is tested by comparing the numerical analysis and experimental results on the layout of the device of the orotron type - generator of diffraction radiation.

  14. Passivity-Based Nonlinear Excitation Control of Power Systems with Structure Matrix Reassignment

    Directory of Open Access Journals (Sweden)

    Bing Chu

    2013-08-01

    Full Text Available Passivity-based control is widely used in electronic circuit systems because it can utilize their internal structures to facilitate the controller design. In this paper, we first propose a dissipative Hamiltonian realization of power systems and discuss the disadvantages of the traditional passivity-based excitation controller. Then, a novel excitation controller is put forward to reassign the interconnection and dissipative matrix, and the corresponding Hamiltonian function. Simulation results verify that the proposed controller can effectively improve the transient stability of the power system.

  15. Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment

    Science.gov (United States)

    Godunov, I. A.; Bataev, V. A.; Maslov, D. V.; Yakovlev, N. N.

    2016-12-01

    The structure of conformational non-rigid molecules in the excited electronic states are investigated by joint theoretical and experimental methods. The theoretical part of work consist of two stages. In first stage the ab initio quantum-chemical calculations are carried out using high level methods. In second stage the vibrational problems of the various dimensions are solved by variational method for vibrations of large amplitude. In experimental part of work the vibronic spectra are investigated: gas-phase absorption and also, fluorescence excitation spectra of jet-cooled molecules. Some examples are considered.

  16. Quantifying uncertainties of a Soil-Foundation Structure-Interaction System under Seismic Excitation

    Energy Technology Data Exchange (ETDEWEB)

    Tong, C

    2008-04-07

    We applied a spectrum of uncertainty quantification (UQ) techniques to the study of a two-dimensional soil-foundation-structure-interaction (2DSFSI) system (obtained from Professor Conte at UCSD) subjected to earthquake excitation. In the process we varied 19 uncertain parameters describing material properties of the structure and the soil. We present in detail the results for the different stages of our UQ analyses.

  17. The low-lying electronic states and optical schemes for the laser cooling of the BH(+) and BH(-) ions.

    Science.gov (United States)

    Zhang, Qing-Qing; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang

    2017-07-05

    The potential energy curves and transition dipole moments for the 1(2)Σ(+), 2(2)Σ(+), 1(2)Π and 2(2)Π electronic states of the two molecules are calculated using multi-reference configuration interaction and the large basis sets aug-cc-pwCV5Z. Based on the obtained potential energy curves, the rotational and vibrational energy levels of the states are obtained by solving the Schrödinger equation of nuclear motion, and the spectroscopic parameters are then obtained by fitting the energy levels to Dunham series expansions. The spin-orbit coupling effect of the (2)Π states for both the BH(+) cation and BH(-) anion are calculated. Highly diagonally distributed Franck-Condon factors are determined for the 1(2)Σ(+) (v″=0)↔1(2)Π (v'=0) transition, ƒ00 (BH(+))=0.943, while the Franck-Condon factors for the 1(2)Π (v″=0)↔1(2)Σ(+) (v'=0) transition is ƒ00 (BH(-))=0.942. Moreover, the radiative lifetime of 38.2ns for the excited 1(2)Π state of the BH(+) and 91.8ns for the 1(2)Σ(+) state of the BH(-) are obtained, which are short enough for rapid laser cooling. A three-step optical scheme of the laser cooling is constructed for either the BH(+) cation or the BH(-) anion. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. The low-lying electronic states and optical schemes for the laser cooling of the BH+ and BH- ions

    Science.gov (United States)

    Zhang, Qing-Qing; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang

    2017-07-01

    The potential energy curves and transition dipole moments for the 12Σ+, 22Σ+, 12Π and 22Π electronic states of the two molecules are calculated using multi-reference configuration interaction and the large basis sets aug-cc-pwCV5Z. Based on the obtained potential energy curves, the rotational and vibrational energy levels of the states are obtained by solving the Schrödinger equation of nuclear motion, and the spectroscopic parameters are then obtained by fitting the energy levels to Dunham series expansions. The spin-orbit coupling effect of the 2Π states for both the BH+ cation and BH- anion are calculated. Highly diagonally distributed Franck-Condon factors are determined for the 12Σ+ (v″ = 0) ↔ 12Π (v‧ = 0) transition, ƒ00 (BH+) = 0.943, while the Franck-Condon factors for the 12Π (v″ = 0) ↔ 12Σ+ (v‧ = 0) transition is ƒ00 (BH-) = 0.942. Moreover, the radiative lifetime of 38.2 ns for the excited 12Π state of the BH+ and 91.8 ns for the 12Σ+ state of the BH- are obtained, which are short enough for rapid laser cooling. A three-step optical scheme of the laser cooling is constructed for either the BH+ cation or the BH- anion.

  19. Nonlinear Dynamic Behavior of a Flexible Structure to Combined External Acoustic and Parametric Excitation

    Directory of Open Access Journals (Sweden)

    Paulo S. Varoto

    2006-01-01

    Full Text Available Flexible structures are frequently subjected to multiple inputs when in the field environment. The accurate determination of the system dynamic response to multiple inputs depends on how much information is available from the excitation sources that act on the system under study. Detailed information include, but are not restricted to appropriate characterization of the excitation sources in terms of their variation in time and in space for the case of distributed loads. Another important aspect related to the excitation sources is how inputs of different nature contribute to the measured dynamic response. A particular and important driving mechanism that can occur in practical situations is the parametric resonance. Another important input that occurs frequently in practice is related to acoustic pressure distributions that is a distributed type of loading. In this paper, detailed theoretical and experimental investigations on the dynamic response of a flexible cantilever beam carrying a tip mass to simultaneously applied external acoustic and parametric excitation signals have been performed. A mathematical model for transverse nonlinear vibration is obtained by employing Lagrange’s equations where important nonlinear effects such as the beam’s curvature and quadratic viscous damping are accounted for in the equation of motion. The beam is driven by two excitation sources, a sinusoidal motion applied to the beam’s fixed end and parallel to its longitudinal axis and a distributed sinusoidal acoustic load applied orthogonally to the beam’s longitudinal axis. The major goal here is to investigate theoretically as well as experimentally the dynamic behavior of the beam-lumped mass system under the action of these two excitation sources. Results from an extensive experimental work show how these two excitation sources interacts for various testing conditions. These experimental results are validated through numerically simulated results

  20. Modal shape identification of large structure exposed to wind excitation by operational modal analysis technique

    Science.gov (United States)

    De Vivo, A.; Brutti, C.; Leofanti, J. L.

    2013-08-01

    Research efforts during recent decades qualify Operational Modal Analysis (OMA) as an interesting tool that is able to identify the modal characteristic parameters of structures excited randomly by environmental loads, eliminating the problem of measuring the external exciting forces. In this paper, an existing OMA technique, the Natural Excitation Technique (NExT) was studied and implemented in order to achieve, from the wind force, the modal parameters of Vega Launcher, the new European launcher vehicle for small and medium satellites. Following a brief summary of the fundamental equations of the method, the modal parameters of Vega are calculated using the OMA technique; the results are then compared with those achieved using a traditional Experimental Modal Analysis under excitation induced by shakers. The comparison shows there is a very good agreement between the results obtained by the two different methods, OMA and the traditional experimental analysis, proving that OMA is a reliable tool to analyse the dynamic behaviour of large structures. Finally, this approach can be used for any type of large structure in civil and mechanical fields and the technique appears to be very promising for further applications.

  1. Developing Dynamic Digital Image Correlation Technique to Monitor Structural Damage of Old Buildings under External Excitation

    Directory of Open Access Journals (Sweden)

    Ming-Hsiang Shih

    2014-01-01

    Full Text Available The capacity of buildings to resist external excitation is an important factor to consider for the structural design of buildings. When subject to external excitation, a building may suffer a certain degree of damages, and its residual capacity to resist external excitation cannot be evaluated. In this research, dynamic digital image correlation method combined with parameter evaluation available in system identification is used to evaluate the structural capacity to resist external excitation. The results reveal possible building latent safety problems so that timely structural reinforcement or dismantling of the building can be initiated to alleviate further damages. The results of experiments using the proposed method conform to the results obtained using the conventional method, but this method is more convenient and rapid than the latter in the subsequent procedure of data processing. If only the frequency change is used, the damages suffered by the building can be detected, but the damage location is not revealed. The interstory drift mode shape (IDMS based on the characteristic of story drift has higher sensitivity than the approximate story damage index (ADSI method based on modal frequency and vibration type; however, both indices can be used to determine the degree and location of building damages.

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

    Science.gov (United States)

    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.

  3. Vibrational circular dichroism spectroscopy of a spin-triplet bis-(biuretato) cobaltate(III) coordination compound with low-lying electronic transitions

    DEFF Research Database (Denmark)

    Johannessen, Christian; Thulstrup, Peter W.

    2007-01-01

    of (6S, 7S)-1,3,5,8,10,12-hexaaza-2,4,9,11-tetraoxo-6,7-diphenyl-dodecanato(4-) cobaltate( III) in DMSO solution and in potassium bromide pellets. The chiral anion exhibits an unusual geometry for cobalt( III), being four-coordinate, planar, and paramagnetic with an intermediate spin state....... The spectroscopic results were compared to measurements performed on the free ligand and to theoretical calculations using density functional theory (B3LYP/TZVP). The results of the VCD analysis of the coordination compound identified an electronic, dipole-forbidden, magnetic dipole-allowed low-lying d-d transition...

  4. An accelerated conjugate gradient algorithm to compute low-lying eigenvalues a study for the Dirac operator in SU(2) lattice QCD

    CERN Document Server

    Kalkreuter, T; Kalkreuter, Thomas; Simma, Hubert

    1995-01-01

    The low-lying eigenvalues of a (sparse) hermitian matrix can be computed with controlled numerical errors by a conjugate gradient (CG) method. This CG algorithm is accelerated by alternating it with exact diagonalisations in the subspace spanned by the numerically computed eigenvectors. We study this combined algorithm in case of the Dirac operator with (dynamical) Wilson fermions in four-dimensional \\SUtwo gauge fields. The algorithm is numerically very stable and can be parallelized in an efficient way. On lattices of sizes 4^4-16^4 an acceleration of the pure CG method by a factor of~4-8 is found.

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

    Science.gov (United States)

    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.

  6. Structural analysis of [Fe(ptz) sub 6)](BF sub 4) sub 2 under photo-excitation. Condensation of photo-excited high-spin ions

    CERN Document Server

    Moritomo, Y; Sakata, M; Kato, K; Kuriki, A; Nakamoto, A; Kojima, N

    2002-01-01

    We have performed in situ synchrotron-radiation X-ray powder structural analysis in a spin-crossover complex ([Fe(ptz) sub 6](BF sub 4) sub 2 : ptz=propyltetrazole) under a photo-excitation with a continuous-wave (CW) green (532 nm) laser at 91 K. The Fe sup 2 sup + ions in the Fe(ptz) sub 6 molecules take the low-spin (LS: S=0) state at the ground state, and are photo-excited selectively into the high-spin (HS: S=2) state. When the excitation power P exceeds the critical value, we observed a novel secondary phase which can be ascribed to the condensation of the photo-excited HS ions. (author)

  7. An Ab Initio Study of the Low-Lying Doublet States of AgO and AgS

    Science.gov (United States)

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

    1990-01-01

    Spectroscopic constants (D(sub o), r(sub e), mu(sub e), T(sub e)) are determined for the doublet states of AgO and AgS below approx. = 30000/cm. Large valence basis sets are employed in conjunction with relativistic effective core potentials (RECPs). Electron correlation is included using the modified coupled-pair functional (MCPF) and multireference configuration interaction (MRCI) methods. The A(sup 2)Sigma(sup +) - X(sup 2)Pi band system is found to occur in the near infrared (approx. = 9000/cm) and to be relatively weak with a radiative lifetime of 900 microns for A(sup 2)Sigma(sup +) (upsilon = 0). The weakly bound C(sup 2)Pi state (our notation), the upper state of the blue system, is found to require high levels of theoretical treatment to determine a quantitatively accurate potential. The red system is assigned as a transition from the C(sup 2)Pi state to the previously unobserved A(sup 2)Sigma(sup +) state. Several additional transitions are identified that should be detectable experimentally. A more limited study is performed for the vertical excitation spectrum of AgS. In addition, a detailed all-electron study of the X(sup 2)Pi and A(sup 2)Sigma(sup +) states of AgO is carried out using large atomic natural orbital (ANO) basis sets. Our best calculated D(sub o) value for AgO is significantly less than the experimental value, which suggests that there may be some systematic error in the experimental determination.

  8. Magnetic dipole excitations in nuclei: elementary modes of nucleonic motion

    CERN Document Server

    Heyde, Kris; Richter, Achim

    2010-01-01

    The nucleus is one of the most multi-faceted many-body systems in the universe. It exhibits a multitude of responses depending on the way one 'probes' it. With increasing technical advancements of beams at the various accelerators and of detection systems the nucleus has, over and over again, surprised us by expressing always new ways of 'organized' structures and layers of complexity. Nuclear magnetism is one of those fascinating faces of the atomic nucleus we discuss in the present review. We shall not just limit ourselves to presenting the by now very large data set that has been obtained in the last two decades using various probes, electromagnetic and hadronic alike and that presents ample evidence for a low-lying orbital scissors mode around 3 MeV, albeit fragmented over an energy interval of the order of 1.5 MeV, and higher-lying spin-flip strength in the energy region 5 - 9 MeV in deformed nuclei, nor to the presently discovered evidence for low-lying proton-neutron isovector quadrupole excitations in...

  9. Flight and analytical investigations of a structural mode excitation system on the YF-12A airplane

    Science.gov (United States)

    Goforth, E. A.; Murphy, R. C.; Beranek, J. A.; Davis, R. A.

    1987-01-01

    A structural excitation system, using an oscillating canard vane to generate force, was mounted on the forebody of the YF-12A airplane. The canard vane was used to excite the airframe structural modes during flight in the subsonic, transonic, and supersonic regimes. Structural modal responses generated by the canard vane forces were measured at the flight test conditions by airframe-mounted accelerometers. Correlations of analytical and experimental aeroelastic results were made. Doublet lattice, steady state double lattice with uniform lag, Mach box, and piston theory all produced acceptable analytical aerodynamic results within the restrictions that apply to each. In general, the aerodynamic theory methods, carefully applied, were found to predict the dynamic behavior of the YF-12A aircraft adequately.

  10. The Impact of Structural Heterogeneity on Excitation-Inhibition Balance in Cortical Networks.

    Science.gov (United States)

    Landau, Itamar D; Egger, Robert; Dercksen, Vincent J; Oberlaender, Marcel; Sompolinsky, Haim

    2016-12-07

    Models of cortical dynamics often assume a homogeneous connectivity structure. However, we show that heterogeneous input connectivity can prevent the dynamic balance between excitation and inhibition, a hallmark of cortical dynamics, and yield unrealistically sparse and temporally regular firing. Anatomically based estimates of the connectivity of layer 4 (L4) rat barrel cortex and numerical simulations of this circuit indicate that the local network possesses substantial heterogeneity in input connectivity, sufficient to disrupt excitation-inhibition balance. We show that homeostatic plasticity in inhibitory synapses can align the functional connectivity to compensate for structural heterogeneity. Alternatively, spike-frequency adaptation can give rise to a novel state in which local firing rates adjust dynamically so that adaptation currents and synaptic inputs are balanced. This theory is supported by simulations of L4 barrel cortex during spontaneous and stimulus-evoked conditions. Our study shows how synaptic and cellular mechanisms yield fluctuation-driven dynamics despite structural heterogeneity in cortical circuits.

  11. Model for the hyperfine structure of electronically-excited ${\\rm KCs}$ molecules

    CERN Document Server

    Orbán, A; Krieglsteiner, O; Nägerl, H -C; Dulieu, O; Crubellier, A; Bouloufa-Maafa, N

    2015-01-01

    A model for determining the hyperfine structure of the excited electronic states of diatomic bialkali heteronuclear molecules is formulated from the atomic hyperfine interactions, and is applied to the case of bosonic $^{39}$KCs and fermionic $^{40}$KCs molecules. The hyperfine structure of the potential energy curves of the states correlated to the K($4s\\,^2S_{1/2}$)+Cs($6p\\,^2P_{1/2,3/2}$) dissociation limits is described in terms of different coupling schemes depending on the internuclear distance $R$. These results provide the first step in the calculation of the hyperfine structure of rovibrational levels of these excited molecular states in the perspective of the identification of efficient paths for creating ultracold ground-state KCs molecules.

  12. Systematic investigation of low-lying dipole modes using the canonical-basis time-dependent Hartree-Fock-Bogoliubov theory

    CERN Document Server

    Ebata, Shuichiro; Inakura, Tsunenori

    2014-01-01

    Systematic investigations of the electric dipole (E1) modes of excitation are performed using the canonical-basis time-dependent Hartree-Fock-Bogoliubov (Cb-TDHFB) theory. The Cb-TDHFB is able to describe dynamical pairing correlations in excited states of nuclear systems. We apply the method to the real-time calculation of linear response in even-even nuclei with Skyrme functionals. Effects of shell structure, neutron skin, deformation, and neutron chemical potential (separation energy) are studied in a systematic way. This reveals a number of characteristic features of the low-energy E1 modes. We also find a universal behavior in the low-energy E1 modes for heavy neutron-rich isotopes, which suggests the emergence of decoupled E1 peaks beyond N = 82.

  13. Optical Excitation in Donor-Pt-Acceptor Complexes: Role of the Structure.

    Science.gov (United States)

    Gong, Zu-Yong; Duan, Sai; Tian, Guangjun; Zhang, Guozhen; Jiang, Jun; Luo, Yi

    2016-05-26

    The optical properties of the Pt complexes in the form of donor-metal-acceptor (D-M-A) were studied at the first-principles level. Calculated results show that for the frontier molecular orbitals (MOs) of a D-M-A structure the energies of unoccupied frontier MO can be mainly determined by the interaction between M and A, whereas the M-A and M-D interactions both determine the energies of occupied frontier MO. By developing a straightforward transition dipole decomposition method, we found that not only the local excitations in D but also those in A can significantly contribute to the charge-transfer (CT) excitation. Furthermore, the calculations also demonstrate that by tuning the dihedral angle between D and A the transition probability can be precisely controlled so as to broaden the spectrum region of photoabsorption. For the D-M-A molecule with a delocalized π system in A, the CT excitation barely affects the electronic structures of metal, suggesting that the oxidation state of the metal can be kept during the excitation. These understandings for the optical properties of the D-M-A molecule would be useful for the design of dye-sensitized solar cells, photocatalysis, and luminescence systems.

  14. Feasibility of Rainwater Harvesting to fulfill potable water demand using quantitative water management in low-lying delta regions of Asia

    Science.gov (United States)

    Mahmood, A.; Hossain, F.

    2016-12-01

    Low-lying deltas of Asian region are usually densely populated and located in developing countries situated at the downstream end of major rivers. Extensive dam construction by the upstream countries has now caused water scarcity in large portions of low-lying deltas. Most inhabitants depend on shallow tube well for safe drinking water that tend to suffer from water quality issues (e.g. Arsenic contamination). In addition, people also get infected from water borne diseases like Cholera and Typhoid due to lack of safe drinking water. Developing a centralized piped network based water supply system is often not a feasible option in rural regions. Due to social acceptability, environment friendliness, lower capital and maintenance cost, rainwater harvesting can be the most sustainable option to supply safe drinking water in rural areas. In this study, first we estimate the monthly rainfall variability using long precipitation climatology from satellite precipitation data. The upper and lower bounds of monthly harvestable rainwater were estimated for each satellite precipitation grid. Taking this lower bound of monthly harvestable rainwater as input, we use quantitative water management concept to determine the percent of the time of the year potable water demand can be fulfilled. Analysis indicates that a 6 m³ reservoir tank can fulfill the potable water demand of a 6 person family throughout a year in almost all parts of this region.

  15. Vibrational circular dichroism spectroscopy of a spin-triplet bis-(biuretato) cobaltate(III) coordination compound with low-lying electronic transitions.

    Science.gov (United States)

    Johannessen, Christian; Thulstrup, Peter W

    2007-03-14

    Vibrational absorption (VA) and vibrational circular dichroism (VCD) spectroscopy was applied in the analysis of vibrational and low lying electronic transitions of a triplet ground state cobalt(III) coordination compound. The spectroscopic measurements were performed on the tetrabutylammonium salt of (6S,7S)-1,3,5,8,10,12-hexaaza-2,4,9,11-tetraoxo-6,7-diphenyl-dodecanato(4-)cobaltate(III) in DMSO solution and in potassium bromide pellets. The chiral anion exhibits an unusual geometry for cobalt(III), being four-coordinate, planar, and paramagnetic with an intermediate spin state. The spectroscopic results were compared to measurements performed on the free ligand and to theoretical calculations using density functional theory (B3LYP/TZVP). The results of the VCD analysis of the coordination compound identified an electronic, dipole-forbidden, magnetic dipole-allowed low-lying d-d transition located in the mid infrared, as well as several amide stretch transitions located in the fingerprint region (1800-1100 cm(-1)), in both the liquid and solid phase. VCD signals were found to be 5-10 times higher than expected, indicating enhancement of the vibrational CD signals, caused by coupling of the vibrational transitions with the close-lying electronic transition.

  16. Core-level excitation and fragmentation of chlorine dioxide

    Science.gov (United States)

    Flesch, R.; Plenge, J.; Rühl, E.

    2006-03-01

    Inner-shell excitation and fragmentation of chlorine dioxide (OClO) in the Cl 2p- and O 1s-excitation regime is reported. The electronic structure of the element-selectively excited radical is studied by X-ray absorption and total cation yields. A comparison of both approaches allows us to estimate the absolute photoionization cross-section and the ionization yield near the Cl 2p- and O 1s-absorption edges. The latter quantity is characteristically enhanced in core-ionization continua. We observe below both core-absorption edges intense core-to-valence-transitions. These are assigned in comparison with related work on core-excited sulfur dioxide. These results give clear evidence that the highest molecular orbital of OClO is half-filled. High-resolution spectra recorded in the Cl 2p-regime show evidence for Rydberg transitions. The extrapolation of the term values of the low-lying Rydberg states allows us to derive the Cl 2p-ionization energy of OClO. Fragmentation of core-excited OClO is reported. Photoelectron-photoion-coincidence (PEPICO) spectra are recorded, indicating that singly and doubly charged fragments are formed. Fission of the doubly and multiply charged OClO leads to singly charged fragments. These are measured by photoion-photoion-coincidence (PIPICO) spectra, where characteristic changes in intensity of the fission channels in the Cl 2p- and O 1s-continuum are observed.

  17. Systematics of α -decay transitions to excited states

    Science.gov (United States)

    Delion, D. S.; Dumitrescu, A.

    2015-08-01

    We systematize the available experimental material concerning α -decay transitions to low-lying excited states in even-even and odd-mass emitters. We generalize our previous theoretical prediction concerning the linear dependence between hindrance factors and the excitation energy for transitions in even-even α emitters. Thus, we show that α intensities for transitions to excited states depend linearly upon the excitation energy for all known even-even and odd-mass α emitters. It turns out that the well-known Viola-Seaborg law for α -decay transitions between ground states can be generalized for transitions to excited states. This rule can be used to predict any α -decay half-life to a low-lying excited state.

  18. Phase space interrogation of the empirical response modes for seismically excited structures

    Science.gov (United States)

    Paul, Bibhas; George, Riya C.; Mishra, Sudib K.

    2017-07-01

    Conventional Phase Space Interrogation (PSI) for structural damage assessment relies on exciting the structure with low dimensional chaotic waveform, thereby, significantly limiting their applicability to large structures. The PSI technique is presently extended for structure subjected to seismic excitations. The high dimensionality of the phase space for seismic response(s) are overcome by the Empirical Mode Decomposition (EMD), decomposing the responses to a number of intrinsic low dimensional oscillatory modes, referred as Intrinsic Mode Functions (IMFs). Along with their low dimensionality, a few IMFs, retain sufficient information of the system dynamics to reflect the damage induced changes. The mutually conflicting nature of low-dimensionality and the sufficiency of dynamic information are taken care by the optimal choice of the IMF(s), which is shown to be the third/fourth IMFs. The optimal IMF(s) are employed for the reconstruction of the Phase space attractor following Taken's embedding theorem. The widely referred Changes in Phase Space Topology (CPST) feature is then employed on these Phase portrait(s) to derive the damage sensitive feature, referred as the CPST of the IMFs (CPST-IMF). The legitimacy of the CPST-IMF is established as a damage sensitive feature by assessing its variation with a number of damage scenarios benchmarked in the IASC-ASCE building. The damage localization capability, remarkable tolerance to noise contamination and the robustness under different seismic excitations of the feature are demonstrated.

  19. Ground-state and excited-state structures of tungsten-benzylidyne complexes

    Energy Technology Data Exchange (ETDEWEB)

    Lovaasen, B. M.; Lockard, J. V.; Cohen, B. W.; Yang, S.; Zhang, X.; Simpson, C. K.; Chen, L. X.; Hopkins, M. D. (Chemical Sciences and Engineering Division); ( XSD); (The Univ. of Chicago)

    2012-01-01

    The molecular structure of the tungsten-benzylidyne complex trans-W({triple_bond}CPh)(dppe){sub 2}Cl (1; dppe = 1,2-bis(diphenylphosphino)ethane) in the singlet (d{sub xy}){sup 2} ground state and luminescent triplet (d{sub xy}){sup 1}({pi}*(WCPh)){sup 1} excited state (1*) has been studied using X-ray transient absorption spectroscopy, X-ray crystallography, and density functional theory (DFT) calculations. Molecular-orbital considerations suggest that the W-C and W-P bond lengths should increase in the excited state because of the reduction of the formal W-C bond order and decrease in W {yields} P {pi}-backbonding, respectively, between 1 and 1*. This latter conclusion is supported by comparisons among the W-P bond lengths obtained from the X-ray crystal structures of 1, (d{sub xy}){sup 1}-configured 1{sup +}, and (d{sub xy}){sup 2} [W(CPh)(dppe){sub 2}(NCMe)]{sup +} (2{sup +}). X-ray transient absorption spectroscopic measurements of the excited-state structure of 1* reveal that the W-C bond length is the same (within experimental error) as that determined by X-ray crystallography for the ground state 1, while the average W-P/W-Cl distance increases by 0.04 {angstrom} in the excited state. The small excited-state elongation of the W-C bond relative to the M-E distortions found for M({triple_bond}E)L{sub n} (E = O, N) compounds with analogous (d{sub xy}){sup 1}({pi}*(ME)){sup 1} excited states is due to the {pi} conjugation within the WCPh unit, which lessens the local W-C {pi}-antibonding character of the {pi}*(WCPh) lowest unoccupied molecular orbital (LUMO). These conclusions are supported by DFT calculations on 1 and 1*. The similar core bond distances of 1, 1{sup +}, and 1* indicates that the inner-sphere reorganization energy associated with ground- and excited-state electron-transfer reactions is small.

  20. Excitation of surface plasma waves over corrugated slow-wave structure

    Indian Academy of Sciences (India)

    Ashim P Jain; Jetendra Parashar

    2005-08-01

    A microwave propagating along vacuum–dielectric–plasma interface excites surface plasma wave (SPW). A periodic slow-wave structure placed over dielectric slows down the SPW. The phase velocity of slow SPW is sensitive to height, periodicity, number of periods, thickness and the separation between dielectric and slow-wave structure. These slow SPW can couple the microwave energy to the plasma and can sustain the discharge. The efficiency of the power coupling is few per cent and is sensitive to separation between dielectric and slow-wave structure.

  1. Acoustic and Vibration Control for an Underwater Structure under Mechanical Excitation

    Directory of Open Access Journals (Sweden)

    Shi-Jian Zhu

    2014-01-01

    Full Text Available Acoustic and vibration control for an underwater structure under mechanical excitation has been investigated by using negative feedback control algorithm. The underwater structure is modeled with cylindrical shells, conical shells, and circular bulkheads, of which the motion equations are built with the variational approach, respectively. Acoustic property is analyzed by the Helmholtz integration formulation with boundary element method. Based on negative feedback control algorithm, a control loop with a coupling use of piezoelectric sensor and actuator is built, and accordingly some numerical examples are carried out on active control of structural vibration and acoustic response. Effects of geometrical and material parameters on acoustic and vibration properties are investigated and discussed.

  2. Identification of the structure parameters using short-time non-stationary stochastic excitation

    Science.gov (United States)

    Jarczewska, Kamila; Koszela, Piotr; Śniady, PaweŁ; Korzec, Aleksandra

    2011-07-01

    In this paper, we propose an approach to the flexural stiffness or eigenvalue frequency identification of a linear structure using a non-stationary stochastic excitation process. The idea of the proposed approach lies within time domain input-output methods. The proposed method is based on transforming the dynamical problem into a static one by integrating the input and the output signals. The output signal is the structure reaction, i.e. structure displacements due to the short-time, irregular load of random type. The systems with single and multiple degrees of freedom, as well as continuous systems are considered.

  3. Structural and acoustic response due to excitation from ship stern: overview and suggestions for future research

    Directory of Open Access Journals (Sweden)

    HUA Hongxing

    2017-08-01

    Full Text Available Several decades after the development of acoustic stealth technology for ships, there remains an urgent necessity to reduce low frequency structural and acoustic response due to excitation from the stern. This paper reviews research into the coupled vibration and acoustic problems of the sterns of vessels. Attention is especially paid to three key aspects: the characteristics of propeller forces, the vibration-acoustic signatures of coupled propeller-shaft-hull systems, and vibration/noise controls. Therefore, the mapping relationships of vibration noise from the stern excitation and propeller-shaft-hull system is obtained, and the control approaches for low frequency vibration noise is presented. Thereafter, several suggestions are made for further research work in the testing technology of the unsteady force of propellers, the structural vibration induced by the stern bearing friction and the vibration control of propeller-shaft systems in the future.

  4. Identification of Modal Parameters with Linear Structure under Non-stationary Ambient Excitation

    Institute of Scientific and Technical Information of China (English)

    续秀忠; 华宏星; 李中付; 陈兆能

    2004-01-01

    Empirical mode decomposition (EMD) is proposed to identify linear structure under non-stationary excitation,and non-white noise coefficient is introduced under the assumption of random signals consisting of white noise and non-white noise signals. The cross-correlation function of response signal is decomposed into mode functions and residue by EMD method. The identification technique of the modal parameters of single freedom degree is applied to each mode function to obtain natural frequencies, damping ratios and mode shapes. The results of identification of the five-degree freedom linear system demonstrate that the proposed method is effective in identifying the parameters of linear structures under non-stationary ambient excitation.

  5. Matrix elements in the coupled-cluster approach - With application to low-lying states in Li

    Science.gov (United States)

    Martensson-Pendrill, Ann-Marie; Ynnerman, Anders

    1990-01-01

    A procedure is suggested for evaluating matrix elements of an operator between wavefunctions in the coupled-cluster form. The use of the exponential ansatz leads to compact exponential expressions also for matrix elements. Algorithms are developed for summing all effects of one-particle clusters and certain chains of two-particle clusters (containing the well-known random-phase approximation as a subset). The treatment of one-particle perturbations in single valence states is investigated in detail. As examples the oscillator strength for the 2s-2p transition in Li as well as the hyperfine structure for the two states are studied and compared to earlier work.

  6. Energies, fine structures and transition wavelengths of the core-excited states in Be * ions

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The fine structures of doubly excited resonances of lithium-like beryllium are calculated using the saddle-point and saddle-point complex-rotation methods. A restricted variational method is used to obtain a more accurate value for the nonrelativistic energy. Relativistic and mass polarization corrections to the resonance energy are included. Transition wavelengths are also calculated and compared with other theories and experimental results.

  7. Protonation and strong H-bonding as the factors controlling structural changes in excited azaaromatics

    Energy Technology Data Exchange (ETDEWEB)

    Grabowska, A. (Polska Akademia Nauk, Warsaw. Inst. Chemii Fizycznej)

    1981-11-01

    The relationship between the structure of a molecule and electron density distribution in excited states of protonated N-heteroaromatics has been discussed, basing on (1) Walsh rules (2) dihydroflavines as model compounds. Two selected examples of inter- and intramolecular proton transfer have been quoted, namely the net charge distribution in 7-azaindole and proton transfer kinetics in 2(2'-hydroxyphenyl)benzoxazole.

  8. Excitation of Structures Near Railway Tracks-Analysis of the Wave Propagation Path

    DEFF Research Database (Denmark)

    Bucinskas, Paulius; Andersen, Lars Vabbersgaard

    2017-01-01

    the passengers as close as possible to the city centers. Therefore, railway tracks have to go through densely populated urban areas, which causes a number of issues. One of the biggest complaints from the inhabitants living near such infrastructures is the high vibration and noise levels caused by the passing...... trains. Unfortunately, the prediction of vibrations in nearby structures is difficult, as wave propagation from the vibration source to the structure is a complex phenomenon. The behaviour of the structure is highly dependent on the path along which the vibrations travel between their source....... This work aims to analyse how different features in the wave propagation path affect the excitation of a structure. A numerical model is constructed to account for the track structure and the underlying soil. The model utilizes a finite-element model for the structures together with a semi-analytical model...

  9. QUANTUM CALCULATION OF INELASTIC CO COLLISIONS WITH H. I. ROTATIONAL QUENCHING OF LOW-LYING ROTATIONAL LEVELS

    Energy Technology Data Exchange (ETDEWEB)

    Yang Benhui; Stancil, P. C. [Department of Physics and Astronomy and the Center for Simulational Physics, The University of Georgia, Athens, GA 30602 (United States); Balakrishnan, N. [Department of Chemistry, University of Nevada Las Vegas, Las Vegas, NV 89154 (United States); Forrey, R. C. [Department of Physics, Penn State University, Berks Campus, Reading, PA 19610 (United States); Bowman, J. M. [Department of Chemistry, Emory University, Atlanta, GA 30322 (United States)

    2013-07-01

    New quantum scattering calculations for rotational deexcitation transitions of CO induced by H collisions using two CO-H potential energy surfaces (PESs) from Shepler et al. are reported. State-to-state rate coefficients are computed for temperatures ranging from 1 to 3000 K for CO(v = 0, j) deexcitation from j = 1 to 5 to all lower j' levels, with j being the rotational quantum number. Different resonance structures in the cross sections are attributed to the differences in the anisotropy and the long-range van der Waals well depths of the two PESs. These differences affect rate coefficients at low temperatures and give an indication of the uncertainty of the results. Significant discrepancies are found between the current rate coefficients and previous results computed using earlier potentials, while the current results satisfy expected propensity rules. Astrophysical applications to modeling far infrared and submillimeter observations are briefly discussed.

  10. Microscopic study of low-lying yrast spectra and deformation systematics in neutron-rich 98−106Sr isotopes

    Indian Academy of Sciences (India)

    Anil Chandan; Suram Singh; Arun Bharti; S K Khosa

    2009-10-01

    Variation-after-projection (VAP) calculations in conjunction with Hartree–Bogoliubov (HB) ansatz have been carried out for = 98–106 strontium isotopes. In this framework, the yrast spectra with ≥ 10+, (2) transition probabilities, quadrupole deformation parameter and occupation numbers for various shell model orbits have been obtained. The results of the calculation for yrast spectra give an indication that it is important to include the hexadecapole–hexadecapole component of the two-body interaction for obtaining various nuclear structure quantities in Sr isotopes. Besides this, it is also found that the simultaneous polarization of 3/2 and 5/2 proton subshells is a significant factor in making a sizeable contribution to the deformation in neutron-rich Sr isotopes.

  11. Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

    Energy Technology Data Exchange (ETDEWEB)

    Van Tassle, Aaron Justin [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    This dissertation describes the development andimplementation of a visible/near infrared pump/mid-infrared probeapparatus. Chapter 1 describes the background and motivation ofinvestigating optically induced structural dynamics, paying specificattention to solvation and the excitation selection rules of highlysymmetric molecules such as carotenoids. Chapter 2 describes thedevelopment and construction of the experimental apparatus usedthroughout the remainder of this dissertation. Chapter 3 will discuss theinvestigation of DCM, a laser dye with a fluorescence signal resultingfrom a charge transfer state. By studying the dynamics of DCM and of itsmethyl deuterated isotopomer (an otherwise identical molecule), we areable to investigate the origins of the charge transfer state and provideevidence that it is of the controversial twisted intramolecular (TICT)type. Chapter 4 introduces the use of two-photon excitation to the S1state, combined with one-photon excitation to the S2 state of thecarotenoid beta-apo-8'-carotenal. These 2 investigations show evidencefor the formation of solitons, previously unobserved in molecular systemsand found only in conducting polymers Chapter 5 presents an investigationof the excited state dynamics of peridinin, the carotenoid responsiblefor the light harvesting of dinoflagellates. This investigation allowsfor a more detailed understanding of the importance of structuraldynamics of carotenoids in light harvesting.

  12. Coherent Terahertz Radiation from Multiple Electron Beams Excitation within a Plasmonic Crystal-like structure

    Science.gov (United States)

    Zhang, Yaxin; Zhou, Yucong; Gang, Yin; Jiang, Guili; Yang, Ziqiang

    2017-01-01

    Coherent terahertz radiation from multiple electron beams excitation within a plasmonic crystal-like structure (a three-dimensional holes array) which is composed of multiple stacked layers with 3 × 3 subwavelength holes array has been proposed in this paper. It has been found that in the structure the electromagnetic fields in each hole can be coupled with one another to construct a composite mode with strong field intensity. Therefore, the multiple electron beams injection can excite and efficiently interact with such mode. Meanwhile, the coupling among the electron beams is taken place during the interaction so that a very strong coherent terahertz radiation with high electron conversion efficiency can be generated. Furthermore, due to the coupling, the starting current density of this mechanism is much lower than that of traditional electron beam-driven terahertz sources. This multi-beam radiation system may provide a favorable way to combine photonics structure with electronics excitation to generate middle, high power terahertz radiation.

  13. COLLISIONAL EXCITATION OF THE [C II] FINE STRUCTURE TRANSITION IN INTERSTELLAR CLOUDS

    Energy Technology Data Exchange (ETDEWEB)

    Goldsmith, Paul F.; Langer, William D.; Pineda, Jorge L.; Velusamy, T., E-mail: Paul.F.Goldsmith@jpl.nasa.gov [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States)

    2012-11-15

    We analyze the collisional excitation of the 158 {mu}m (1900.5 GHz) fine structure transition of ionized carbon in terms of line intensities produced by simple cloud models. The single C{sup +} fine structure transition is a very important coolant of the atomic interstellar medium (ISM) and of photon-dominated regions in which carbon is partially or completely in ionized form. The [C II] line is widely used as a tracer of star formation in the Milky Way and other galaxies. Excitation of the [C II] fine structure transition can be via collisions with hydrogen molecules, atoms, and electrons. Analysis of [C II] observations is complicated by the fact that it is difficult to determine the optical depth of the line. We discuss the excitation of the [C II] line, deriving analytic results for several limiting cases and carry out numerical solutions using a large velocity gradient model for a more inclusive analysis. For antenna temperatures up to 1/3 of the brightness temperature of the gas kinetic temperature, the antenna temperature is linearly proportional to the column density of C{sup +} irrespective of the optical depth of the transition. This is appropriately referred to as the effectively optically thin approximation. We review the critical densities for excitation of the [C II] line by various collision partners, briefly analyze C{sup +} absorption, and conclude with a discussion of C{sup +} cooling and how the considerations for line intensities affect the behavior of this important coolant of the ISM.

  14. Spectroscopic parameters of the low-lying electronic states and laser cooling feasibility of NH+ cation and NH- anion

    Science.gov (United States)

    Zhang, Qing-Qing; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang

    2017-10-01

    The potential energy curves and transition dipole moments of 12Σ+, 22Σ+, 12Π and 22Π states of NH+ cation and NH- anion are calculated by using multi-reference configuration interaction method and large all-electron basis sets. Based on the obtained potential energy curves, the rotational and vibrational energy levels of the states are obtained by solving the Schrödinger equation of nuclear movement. The calculated spectroscopic parameters for NH+ cation and NH- anion are in good agreement with available theoretical and experimental results. The spin orbit coupling effect of the 2Π states for both NH+ cation and NH- anion are calculated. The feasibility of laser cooling of the two molecules is examined by using the results of the molecular structure and spectroscopy. The highly diagonal Franck-Condon factors for the 12Π (v″ = 0) ↔ 12Σ+ (v‧ = 0) transition of NH+ and NH- are 0.821 and 0.999, while the radiative lifetimes of the 12Σ+ (v‧ = 0) state for the two molecules are 384 ns and 52.4 ns, respectively. The results indicate that NH+ cation and NH- anion are good candidate molecules for laser cooling. The cooling scheme via Sisyphus process for the NH+ cation and NH- anion are proposed in the paper. The laser wavelengths for the close cycles of the absorption and radiation are also determined. Unfortunately, the potential energy curve of the ground state of the neutral NH molecule shows that the auto-detachment of NH- anion is possible, implying the optical scheme of laser cooling for NH- anion is not easy to achieve in the experiment although it has larger Franck-Condon factor.

  15. Spectroscopic parameters of the low-lying electronic states and laser cooling feasibility of NH(+) cation and NH(-) anion.

    Science.gov (United States)

    Zhang, Qing-Qing; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang

    2017-10-05

    The potential energy curves and transition dipole moments of 1(2)Σ(+), 2(2)Σ(+), 1(2)Π and 2(2)Π states of NH(+) cation and NH(-) anion are calculated by using multi-reference configuration interaction method and large all-electron basis sets. Based on the obtained potential energy curves, the rotational and vibrational energy levels of the states are obtained by solving the Schrödinger equation of nuclear movement. The calculated spectroscopic parameters for NH(+) cation and NH(-) anion are in good agreement with available theoretical and experimental results. The spin orbit coupling effect of the (2)Π states for both NH(+) cation and NH(-) anion are calculated. The feasibility of laser cooling of the two molecules is examined by using the results of the molecular structure and spectroscopy. The highly diagonal Franck-Condon factors for the 1(2)Π (v″=0)↔1(2)Σ(+) (v'=0) transition of NH(+) and NH(-) are 0.821 and 0.999, while the radiative lifetimes of the 1(2)Σ(+) (v'=0) state for the two molecules are 384ns and 52.4ns, respectively. The results indicate that NH(+) cation and NH(-) anion are good candidate molecules for laser cooling. The cooling scheme via Sisyphus process for the NH(+) cation and NH(-) anion are proposed in the paper. The laser wavelengths for the close cycles of the absorption and radiation are also determined. Unfortunately, the potential energy curve of the ground state of the neutral NH molecule shows that the auto-detachment of NH(-) anion is possible, implying the optical scheme of laser cooling for NH(-) anion is not easy to achieve in the experiment although it has larger Franck-Condon factor. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Study on the Sliding Displacement of a Sliding Structure Subjected to Multi-directional Earthquake Excitation

    Institute of Scientific and Technical Information of China (English)

    Fan Aiwu; Tang Jiaxiang; Li Li; Yang Jun

    2005-01-01

    Transient dynamic analysis is used to study the effect of the bidirectional interaction of friction on the response of sliding displacement of a sliding structure subjected to bidirectional earthquake ground motion. The analysis varies the parameters of amplitude ratio of earthquake excitation, the period of the superstructure, and the coefficient of friction in the sliding support. Numerical results show that the sliding structure is significantly influenced by the interaction of frictional forces. So the sliding displacement may be underestimated and the acceleration of the superstructure may be overrated if the bidirectional interaction of frictional forces is neglected.

  17. Ab initio many-electron study for the low-lying states of the alkali hydride cations in the adiabatic representation.

    Science.gov (United States)

    Yan, Lingling; Qu, Yizhi; Liu, Chunhua; Wang, Jianguo; Buenker, Robert J

    2012-03-28

    An ab initio multireference single- and double-excitation configuration interaction (CI) study is carried out for the ground and excited electronic states of alkali-hydride cations (LiH(+), NaH(+), KH(+), RbH(+), and CsH(+)). For all alkali-metal atoms, the first inner-shell and valence electrons (nine active electrons, three for Li) are considered explicitly in the ab initio self-consistent-field and CI calculations. The adiabatic potential energy curves, radial and rotational couplings are calculated and presented. Short-range (∼3 a.u.) potential wells produced by the excitation of the inner-shell electrons are found. The depths of the inner potential wells are much greater than those of the outer wells for the CsH(+) system. The computed spectroscopic constants for the long-range potential well of the 2 (2)Σ(+) state are very close to the available theoretical and experimental data. The electronic states of alkali-hydrogen cations are also compared with each other, it is found that the positions of the potential wells shift to larger internuclear distances gradually, and the depths of these potential wells become greater with increasing alkali-metal atomic number. The relationships between structures of the radial coupling matrix elements and the avoiding crossings of the potential curves are analyzed. From NaH(+) to CsH(+), radial coupling matrix elements display more and more complex structures due to the gradual decrease of energy separations for avoided crossings. Finally, the behavior of some rotational couplings is also shown.

  18. Fatigue crack detection on structural steel members by using ultrasound excited thermography

    Energy Technology Data Exchange (ETDEWEB)

    Plum, Robin Marc

    2015-07-01

    In the field of non-destructive testing (NDT), ultrasound excited thermography has been recognised as a promising technique that was successfully applied to metals, fibre composites and many more engineering materials in order to detect cracks, delaminations and other types of internal flaws. Dating back to the late 1970s, the idea of high-frequency vibration excitation of structural members combined with monitoring the surface temperature by means of infrared thermography aims at the localised energy dissipation at defect regions and its thermal detection. The purpose of this thesis is to investigate the potential use of ultrasound excited thermography for detecting surface breaking fatigue cracks in thick-walled components relevant to steel construction. The presented research is motivated by a lack of fast and imaging crack detection methods in the field and the growing acceptance and technological progress of active thermography techniques. After introducing the concept of ultrasound excited thermography or vibrothermography, its current state of the art is described by means of a comprehensive literature review focusing on research activities towards crack detection on metals. Owing to the interdisciplinarity of the test method, all relevant technical subdisciplines from the excitation of plate vibrations via potential heat generation mechanisms and heat transfer to infrared thermography are outlined. The experimental work starts with the manufacture and fatigue loading of suitable plate specimens made from low-carbon steel S355, mostly in the high cycle fatigue regime, to generate throughthickness cracks with specified depths. Using a modified high-power ultrasonic welding generator, basic dependencies of the defect heating on frequency, coupling location and excitation duration are clarified at first. Besides of an estimation of realistic detection limits depending on the plate thickness, main issues such as the relation between vibration intensity and

  19. Hybrid probabilistic and convex modeling of excitation and response of periodic structures

    Directory of Open Access Journals (Sweden)

    L. P. Zhu

    1996-01-01

    Full Text Available In this paper, a periodic finite-span beam subjected to the stochastic acoustic pressure with bounded parameters is investigated. Uncertainty parameters exist in this acoustic excitation due to the deviation or imperfection. First, a finite-span beams subjected to the random acoustic pressure field are studied, the exact analytic forms of the cross-spectral density of both the transverse displacement and the bending moment responses of the structure are formulated. The combined probabilistic and convex modeling of acoustic excitation appears to be most suitable, since there is an insufficient information available on the acoustic excitation parameters, to justify the totally probabilitic analysis. Specifically, we postulate that the uncertainty parameters in the acoustic loading belong to a bounded, convex set. In the special case when this convex set is an ellipsoid, closed form solutions are obtained for the most and least favorable mean square responses of both the transverse displacement and bending moment of the structure. Several finite-span beams are exemplified to gain insight into proposal methodology.

  20. Optimization and Validation of Rotating Current Excitation with GMR Array Sensors for Riveted Structures Inspection

    Directory of Open Access Journals (Sweden)

    Chaofeng Ye

    2016-09-01

    Full Text Available In eddy current non-destructive testing of a multi-layered riveted structure, rotating current excitation, generated by orthogonal coils, is advantageous in providing sensitivity to defects of all orientations. However, when used with linear array sensors, the exciting magnetic flux density ( B x of the orthogonal coils is not uniform over the sensor region, resulting in an output signal magnitude that depends on the relative location of the defect to the sensor array. In this paper, the rotating excitation coil is optimized to achieve a uniform B x field in the sensor array area and minimize the probe size. The current density distribution of the coil is optimized using the polynomial approximation method. A non-uniform coil design is derived from the optimized current density distribution. Simulation results, using both an optimized coil and a conventional coil, are generated using the finite element method (FEM model. The signal magnitude for an optimized coil is seen to be more robust with respect to offset of defects from the coil center. A novel multilayer coil structure, fabricated on a multi-layer printed circuit board, is used to build the optimized coil. A prototype probe with the optimized coil and 32 giant magnetoresistive (GMR sensors is built and tested on a two-layer riveted aluminum sample. Experimental results show that the optimized probe has better defect detection capability compared with a conventional non-optimized coil.

  1. Long-Lived Excited-State Dynamics of i-Motif Structures Probed by Time-Resolved Infrared Spectroscopy.

    Science.gov (United States)

    Keane, Páraic M; Baptista, Frederico R; Gurung, Sarah P; Devereux, Stephen J; Sazanovich, Igor V; Towrie, Michael; Brazier, John A; Cardin, Christine J; Kelly, John M; Quinn, Susan J

    2016-05-01

    UV-generated excited states of cytosine (C) nucleobases are precursors to mutagenic photoproduct formation. The i-motif formed from C-rich sequences is known to exhibit high yields of long-lived excited states following UV absorption. Here the excited states of several i-motif structures have been characterized following 267 nm laser excitation using time-resolved infrared spectroscopy (TRIR). All structures possess a long-lived excited state of ∼300 ps and notably in some cases decays greater than 1 ns are observed. These unusually long-lived lifetimes are attributed to the interdigitated DNA structure which prevents direct base stacking overlap.

  2. Mass spectrum of low-lying baryons in the ground state in a relativistic potential model of independent quarks with chiral symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Barik, N.; Dash, B.K.

    1986-04-01

    Under the assumption that baryons are an assembly of independent quarks, confined in a first approximation by an effective potential U(r) = 1/2(1+..gamma../sup 0/)(ar/sup 2/+V/sub 0/ ) which presumably represents the nonperturbative gluon interactions, the mass spectrum of the low-lying ground-state baryons has been calculated by considering perturbatively the contributions of the residual quark-pion coupling arising out of the requirement of chiral symmetry and that of the quark-gluon coupling due to one-gluon exchange over and above the necessary center-of-mass correction. The physical masses of the baryons so obtained agree quite well with the corresponding experimental value. The strong coupling constant ..cap alpha../sub c/ = 0.58 required here to describe the QCD mass splittings is quite consistent with the idea of treating one-gluon-exchange effects in lowest-order perturbation theory.

  3. Role of free carriers excited by ultrafast Bessel beams for submicron structuring applications

    Science.gov (United States)

    Velpula, Praveen Kumar; Bhuyan, Manoj Kumar; Mauclair, Cyril; Colombier, Jean-Philippe; Stoian, Razvan

    2014-07-01

    Ultrafast Bessel beams are ideal sources for high aspect ratio submicron structuring applications because of their nondiffracting nature and higher stability in nonlinear propagation. We report here on the interaction of ultrafast Bessel beams at various laser energies and pulse durations with transparent materials (fused silica) and define their impact on photoinscription regimes, i.e., formation of positive and negative refractive index structures. The laser pulse duration was observed to be key in deciding the type of the structures via excitation efficiency. To understand the relevant mechanisms for forming these different structures, the free carrier behavior as a function of laser pulse duration and energy was studied by capturing instantaneous excitation profiles using time-resolved microscopy. Time-resolved imaging and simulation studies reveal that low carrier densities are generated for ultrashort pulses, leading to soft positive index alterations via presumably nonthermally induced structural transitions involving defects. On the other hand, the high free carrier density generation in the case of longer pulse durations leads to hydrodynamic expansion, resulting in high aspect ratio submicron-size wide voids. Delayed ionization, carrier defocusing, and lower nonlinear effects are responsible for the confinement of energy, resulting in efficient energy deposition on-axis.

  4. Electronic excitation induced structural and optical modifications in InGaN/GaN quantum well structures grown by MOCVD

    Science.gov (United States)

    Prabakaran, K.; Ramesh, R.; Jayasakthi, M.; Surender, S.; Pradeep, S.; Balaji, M.; Asokan, K.; Baskar, K.

    2017-03-01

    The present study focuses on the electronic excitation induced structural and optical properties of InGaN/GaN quantum well (QW) structures grown by metal organic chemical vapor deposition technique. These excitations were produced using Au7+ ion irradiation with 100 MeV energy. The X-ray rocking curves intensity and full width at half-maximum values corresponding to the planes of (0 0 0 2) and (1 0 -1 5) of the irradiated QW structures show the modifications in the screw and edge-type dislocation densities vary with the ion fluences. The structural characteristics using the reciprocal space mapping indicate the intermixing effects in InGaN/GaN QW structures. Atomic force microscopy images confirmed the presence of nanostructures and the surface modification due to heavy ion irradiation. The irradiated QW structures exhibited degraded photoluminescence intensity and a subsequent decrease in the yellow luminescence band intensity with the fluences of 1 × 1011 and 5 × 1012 ions/cm2 compared to the pristine QW structures.

  5. Excitation energies in neutron-rich rare isotopes as indicators of changing shell structure

    Energy Technology Data Exchange (ETDEWEB)

    Gade, Alexandra [Michigan State University, National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, East Lansing, MI (United States)

    2015-09-15

    The quest for a predictive model of atomic nuclei fuels experimental and theoretical research programs worldwide. The properties of rare isotopes emerge as crucial ingredients for the development of nuclear models valid also towards the nucleon driplines. Many important aspects of the interactions between the constituent protons and neutrons are amplified in the regime of large isospin and can best be isolated and characterized there. The energies of excited states offer a unique view into the structure of nuclei and are often some of the first quantities accessible by experiment. Excitation energies can be measured directly and in model-independent ways and thus are among the key observables that can guide our understanding of atomic nuclei. (orig.)

  6. Transient stabilization of structure preserving power systems with excitation control via energy-shaping

    Energy Technology Data Exchange (ETDEWEB)

    He, Bin; Zhang, Xiubin; Zhao, Xingyong [Department of Electrical Engineering, Shanghai Jiaotong University, Shanghai 200240 (China)

    2007-12-15

    In this paper, the transient stability of multimachine power systems based on structure preserving model (SPM) is considered. The interconnection and damping assignment passivity-based control (IDA-PBC) methodology is extended to solve the excitation regulation problem of SPM represented by a set of differential-algebraic equations. By shaping the total energy function via the introduction of a virtual coupling between the electrical and the mechanical dynamics of the power system, a decentralized excitation control law is proposed to ensure the asymptotic stability of the closed-loop system. The controller is proved to be effective in damping the oscillations and enhancing the system stability by the results of simulation research. (author)

  7. Excited-state proton coupled charge transfer modulated by molecular structure and media polarization.

    Science.gov (United States)

    Demchenko, Alexander P; Tang, Kuo-Chun; Chou, Pi-Tai

    2013-02-01

    Charge and proton transfer reactions in the excited states of organic dyes can be coupled in many different ways. Despite the complementarity of charges, they can occur on different time scales and in different directions of the molecular framework. In certain cases, excited-state equilibrium can be established between the charge-transfer and proton-transfer species. The interplay of these reactions can be modulated and even reversed by variations in dye molecular structures and changes of the surrounding media. With knowledge of the mechanisms of these processes, desired rates and directions can be achieved, and thus the multiple emission spectral features can be harnessed. These features have found versatile applications in a number of cutting-edge technological areas, particularly in fluorescence sensing and imaging.

  8. Structured illumination fluorescence microscopy with distorted excitations using a filtered blind-SIM algorithm.

    Science.gov (United States)

    Ayuk, R; Giovannini, H; Jost, A; Mudry, E; Girard, J; Mangeat, T; Sandeau, N; Heintzmann, R; Wicker, K; Belkebir, K; Sentenac, A

    2013-11-15

    Structured illumination microscopy (SIM) is a powerful technique for obtaining super-resolved fluorescence maps of samples, but it is very sensitive to aberrations or misalignments affecting the excitation patterns. Here, we present a reconstruction algorithm that is able to process SIM data even if the illuminations are strongly distorted. The approach is an extension of the recent blind-SIM technique, which reconstructs simultaneously the sample and the excitation patterns without a priori information on the latter. Our algorithm was checked on synthetic and experimental data using distorted and nondistorted illuminations. The reconstructions were similar to that obtained by up-to-date SIM methods when the illuminations were periodic and remained artifact-free when the illuminations were strongly distorted.

  9. Vibronic structure and coupling of higher excited electronic states in carotenoids

    Science.gov (United States)

    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.

  10. Low-ionization structures in planetary nebulae - I: physical, kinematic and excitation properties

    CERN Document Server

    Akras, Stavros

    2015-01-01

    Though the small-scale, low-ionization knots, filaments and jets (LISs) of planetary nebulae (PNe) are known for ~30yr, some of their observational properties are not well established. In consequence our ability to include them in the wider context of the formation and evolution of PNe is directly affected. Why most structures have lower densities than the PN shells hosting them? Is their intense emission in low-ionization lines the key to their main excitation mechanism? Therefore, if considered altogether, can LISs line ratios, chemical abundances and kinematics enlighten the interplay between the different excitation and formation processes? Here we present a spectroscopic analysis of five PNe that possess LISs confirming that all nebular components have comparable electron temperatures, whereas the electron density is systematically lower in LISs than in the surrounding nebula. Chemical abundances of LISs versus other PN components do not show significant differences as well. By using diagnostic diagrams ...

  11. Controlling multipolar surface plasmon excitation through the azimuthal phase structure of electron vortex beams

    Science.gov (United States)

    Ugarte, Daniel; Ducati, Caterina

    2016-05-01

    We have theoretically studied how the azimuthal phase structure of an electron vortex beam excites surface plasmons on metal particles of different geometries as observed in electron energy loss spectroscopy (EELS). We have developed a semiclassical approximation combining a ring-shaped beam and the dielectric formalism. Our results indicate that for the case of total orbital angular momentum transfer, we can manipulate surface plasmon multipole excitation and even attain an enhancement factor of several orders of magnitude. Since electron vortex beams interact with particles mostly through effects due to azimuthal symmetry, i.e., in the plane perpendicular to the electron beam, anisotropy information (longitudinal and transversal) of the sample may be derived in EELS studies by comparing nonvortex and vortex beam measurements.

  12. Probing nuclear shell structure beyond the N=40 subshell using multiple Coulomb excitation and transfer experiments

    Energy Technology Data Exchange (ETDEWEB)

    Hellgartner, Stefanie Christine

    2015-11-13

    In this work, the N=40 subshell closure is investigated with two complementary methods using a radioactive {sup 72}Zn ISOLDE beam: One- and two-neutron transfer reactions and multiple Coulomb excitation. In the one-neutron transfer reaction, two new levels of {sup 73}Zn were discovered. The two-neutron transfer channel allowed to study the differential cross section of the ground state and the 2{sup +}{sub 1} state of {sup 74}Zn. In the Coulomb excitation experiment, the measured B(E2) values and quadrupole moments of {sup 72}Zn showed that the yrast states 0{sup +}{sub 1}, 2{sup +}{sub 1} and 4{sup +}{sub 1} are moderately collective. Contrary, the 0{sup +}{sub 2} state has a different structure, since it features a stronger closed N=40 configuration compared to the ground state.

  13. Comparison of the AVI, modified SINTACS and GALDIT vulnerability methods under future climate-change scenarios for a shallow low-lying coastal aquifer in southern Finland

    Science.gov (United States)

    Luoma, Samrit; Okkonen, Jarkko; Korkka-Niemi, Kirsti

    2016-09-01

    A shallow unconfined low-lying coastal aquifer in southern Finland surrounded by the Baltic Sea is vulnerable to changes in groundwater recharge, sea-level rise and human activities. Assessment of the intrinsic vulnerability of groundwater under climate scenarios was performed for the aquifer area by utilising the results of a published study on the impacts of climate change on groundwater recharge and sea-level rise on groundwater-seawater interaction. Three intrinsic vulnerability mapping methods, the aquifer vulnerability index (AVI), a modified SINTACS and GALDIT, were applied and compared. According to the results, the degree of groundwater vulnerability is greatly impacted by seasonal variations in groundwater recharge during the year, and also varies depending on the climate-change variability in the long term. The groundwater is potentially highly vulnerable to contamination from sources on the ground surface during high groundwater recharge rates after snowmelt, while a high vulnerability to seawater intrusion could exist when there is a low groundwater recharge rate in dry season. The AVI results suggest that a change in the sea level will have an insignificant impact on groundwater vulnerability compared with the results from the modified SINTACS and GALDIT. The modified SINTACS method could be used as a guideline for the groundwater vulnerability assessment of glacial and deglacial deposits in inland aquifers, and in combination with GALDIT, it could provide a useful tool for assessing groundwater vulnerability to both contamination from sources on the ground surface and to seawater intrusion for shallow unconfined low-lying coastal aquifers under future climate-change conditions.

  14. A vibration isolation system in low frequency excitation region using negative stiffness structure for vehicle seat

    Science.gov (United States)

    Le, Thanh Danh; Ahn, Kyoung Kwan

    2011-12-01

    This paper designs and fabricates a vibration isolation model for improving vibration isolation effectiveness of the vehicle seat under low excitation frequencies. The feature of the proposed system is to use two symmetric negative stiffness structures (NSS) in parallel to a positive stiffness structure. Here, theoretical analysis of the proposed system is clearly presented. Then, the design procedure is derived so that the resonance peak of frequency-response curve drifts to the left, the load support capacity of the system is maintained, the total size of the system is reduced for easy practical application and especially, the bending of the frequency-response curve is minimized. Next the dynamic equation of the proposed system is set up. Then, the harmonic balance (HB) method is employed to seek the characteristic of the motion transmissibility of the proposed system at the steady state for each of the excitation frequency. From this characteristic, the curves of the motion transmission are predicted according to the various values of the configurative parameters of the system. Then, the time responses to the sinusoidal, multi frequency and random excitations are also investigated by simulation and experiment. In addition, the isolation performance comparison between the system with NSS and system without NSS is realized. The simulation results reveal that the proposed system has larger frequency region of isolation than that of the system without NSS. The experimental results confirm also that with a random excitation mainly spreading from 0.1 to 10 Hz, the isolation performance of the system with NSS is greatly improved, where the RMS values of the mass displacement may be reduced to 67.2%, whereas the isolation performance of the system without NSS is bad. Besides, the stability of the steady-state response is also studied. Finally, some conclusions are given.

  15. Using relaxation dispersion NMR spectroscopy to determine structures of excited, invisible protein states

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, D. Flemming; Vallurupalli, Pramodh; Kay, Lewis E. [University of Toronto, Departments of Molecular Genetics, Biochemistry and Chemistry (Canada)], E-mail: kay@pound.med.utoronto.ca

    2008-07-15

    Currently the main focus of structural biology is the determination of static three-dimensional representations of biomolecules that for the most part correspond to low energy (ground state) conformations. However, it is becoming increasingly well recognized that higher energy structures often play important roles in function as well. Because these conformers are populated to only low levels and are often only transiently formed their study is not amenable to many of the tools of structural biology. In this perspective we discuss the role of CPMG-based relaxation dispersion NMR spectroscopy in characterizing these low populated, invisible states. It is shown that robust methods for measuring both backbone chemical shifts and residual anisotropic interactions in the excited state are in place and that these data provide valuable restraints for structural studies of invisible conformers.

  16. PATH INTEGRAL SOLUTION OF NONLINEAR DYNAMIC BEHAVIOR OF STRUCTURE UNDER WIND EXCITATION

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    A numerical scheme for the nonlinear behavior of structure under wind excitation is investigated. With the white noise filter of turbulent-wind fluctuations, the nonlinear motion equation of structures subjected to wind load was modeled as the Ito' s stochastic differential equation. The state vector associated with such a model is a diffusion process. A continuous linearization strategy in the time-domain was adopted.Based on the solution series of its stochastic linearization equations, the formal probabilistic density of the structure response was developed by the path integral technique. It is shown by the numerical example of a guyed mast that compared with the frequency-domain method and the time-domain nonlinear analysis, the proposed approach is highlighted by high accuracy and effectiveness. The influence of the structure non-linearity on the dynamic reliability assessment is also analyzed in the example.

  17. EEMD-MUSIC-based analysis for natural frequencies identification of structures using artificial and natural excitations.

    Science.gov (United States)

    Camarena-Martinez, David; Amezquita-Sanchez, Juan P; Valtierra-Rodriguez, Martin; Romero-Troncoso, Rene J; Osornio-Rios, Roque A; Garcia-Perez, Arturo

    2014-01-01

    This paper presents a new EEMD-MUSIC- (ensemble empirical mode decomposition-multiple signal classification-) based methodology to identify modal frequencies in structures ranging from free and ambient vibration signals produced by artificial and natural excitations and also considering several factors as nonstationary effects, close modal frequencies, and noisy environments, which are common situations where several techniques reported in literature fail. The EEMD and MUSIC methods are used to decompose the vibration signal into a set of IMFs (intrinsic mode functions) and to identify the natural frequencies of a structure, respectively. The effectiveness of the proposed methodology has been validated and tested with synthetic signals and under real operating conditions. The experiments are focused on extracting the natural frequencies of a truss-type scaled structure and of a bridge used for both highway traffic and pedestrians. Results show the proposed methodology as a suitable solution for natural frequencies identification of structures from free and ambient vibration signals.

  18. Structural damage detection based on covariance of covariance matrix with general white noise excitation

    Science.gov (United States)

    Hui, Yi; Law, Siu Seong; Ku, Chiu Jen

    2017-02-01

    Covariance of the auto/cross-covariance matrix based method is studied for the damage identification of a structure with illustrations on its advantages and limitations. The original method is extended for structures under direct white noise excitations. The auto/cross-covariance function of the measured acceleration and its corresponding derivatives are formulated analytically, and the method is modified in two new strategies to enable successful identification with much fewer sensors. Numerical examples are adopted to illustrate the improved method, and the effects of sampling frequency and sampling duration are discussed. Results show that the covariance of covariance calculated from responses of higher order modes of a structure play an important role to the accurate identification of local damage in a structure.

  19. EEMD-MUSIC-Based Analysis for Natural Frequencies Identification of Structures Using Artificial and Natural Excitations

    Directory of Open Access Journals (Sweden)

    David Camarena-Martinez

    2014-01-01

    Full Text Available This paper presents a new EEMD-MUSIC- (ensemble empirical mode decomposition-multiple signal classification- based methodology to identify modal frequencies in structures ranging from free and ambient vibration signals produced by artificial and natural excitations and also considering several factors as nonstationary effects, close modal frequencies, and noisy environments, which are common situations where several techniques reported in literature fail. The EEMD and MUSIC methods are used to decompose the vibration signal into a set of IMFs (intrinsic mode functions and to identify the natural frequencies of a structure, respectively. The effectiveness of the proposed methodology has been validated and tested with synthetic signals and under real operating conditions. The experiments are focused on extracting the natural frequencies of a truss-type scaled structure and of a bridge used for both highway traffic and pedestrians. Results show the proposed methodology as a suitable solution for natural frequencies identification of structures from free and ambient vibration signals.

  20. Causal feedforward control of a stochastically excited fuselage structure with active sidewall panel.

    Science.gov (United States)

    Misol, Malte; Haase, Thomas; Monner, Hans Peter; Sinapius, Michael

    2014-10-01

    This paper provides experimental results of an aircraft-relevant double panel structure mounted in a sound transmission loss facility. The primary structure of the double panel system is excited either by a stochastic point force or by a diffuse sound field synthesized in the reverberation room of the transmission loss facility. The secondary structure, which is connected to the frames of the primary structure, is augmented by actuators and sensors implementing an active feedforward control system. Special emphasis is placed on the causality of the active feedforward control system and its implications on the disturbance rejection at the error sensors. The coherence of the sensor signals is analyzed for the two different disturbance excitations. Experimental results are presented regarding the causality, coherence, and disturbance rejection of the active feedforward control system. Furthermore, the sound transmission loss of the double panel system is evaluated for different configurations of the active system. A principal result of this work is the evidence that it is possible to strongly influence the transmission of stochastic disturbance sources through double panel configurations by means of an active feedforward control system.

  1. Excitation Dependent Phosphorous Property and New Model of the Structured Green Luminescence in ZnO

    Science.gov (United States)

    Ye, Honggang; Su, Zhicheng; Tang, Fei; Wang, Mingzheng; Chen, Guangde; Wang, Jian; Xu, Shijie

    2017-02-01

    The copper induced green luminescence (GL) with two sets of fine structures in ZnO crystal has been found for several decades (i.e., R. Dingle, Phys. Rev. Lett. 23, 579 (1969)), but the physical origin of the doublet still remains as an open question up to now. In this paper, we provide new insight into the mechanism of the structured GL band in terms of new experimental findings and theoretical calculations. It is found, for the first time, that the GL signal exhibits persistent afterglow for tens of minutes after the switch-off of below-band-gap excitation light but it cannot occur under above-band-gap excitation. Such a phosphorous property may be interpreted as de-trapping and feeding of electrons from a shallow trapping level via the conduction band to the Cu-related luminescence centers where the Cu3+ ion is proposed to work as the final state of the GL emission. From first-principles calculation, such a Cu3+ ion in wurtzite ZnO prefers a high spin 3d8 state with two non-degenerated half-filled orbitals due to the Jahn-Teller effect, probably leading to the double structures in photoluminescence spectrum. Therefore, this model gives a comprehensively new understanding on the mechanism of the structured GL band in ZnO.

  2. Excitation Dependent Phosphorous Property and New Model of the Structured Green Luminescence in ZnO.

    Science.gov (United States)

    Ye, Honggang; Su, Zhicheng; Tang, Fei; Wang, Mingzheng; Chen, Guangde; Wang, Jian; Xu, Shijie

    2017-02-02

    The copper induced green luminescence (GL) with two sets of fine structures in ZnO crystal has been found for several decades (i.e., R. Dingle, Phys. Rev. Lett. 23, 579 (1969)), but the physical origin of the doublet still remains as an open question up to now. In this paper, we provide new insight into the mechanism of the structured GL band in terms of new experimental findings and theoretical calculations. It is found, for the first time, that the GL signal exhibits persistent afterglow for tens of minutes after the switch-off of below-band-gap excitation light but it cannot occur under above-band-gap excitation. Such a phosphorous property may be interpreted as de-trapping and feeding of electrons from a shallow trapping level via the conduction band to the Cu-related luminescence centers where the Cu(3+) ion is proposed to work as the final state of the GL emission. From first-principles calculation, such a Cu(3+) ion in wurtzite ZnO prefers a high spin 3d(8) state with two non-degenerated half-filled orbitals due to the Jahn-Teller effect, probably leading to the double structures in photoluminescence spectrum. Therefore, this model gives a comprehensively new understanding on the mechanism of the structured GL band in ZnO.

  3. Application of time-series-based damage detection algorithms to structures under ambient excitations

    Science.gov (United States)

    Loh, Chin-Hsiung; Chan, Chuan-Kai; Lee, Chung-Hsien

    2016-04-01

    Operational modal analysis (OMA) is to extract the dynamic characteristics of structures based on vibration responses of structures without considering the excitation measurement. In this study both modal-based and signal-based system identification and feature extraction techniques are used to study the nonlinear inelastic response of a test structure ( a 3- story steel frame subjected to a series of earthquake and white noise excitations back to back) using both input and output response data or output only measurement and identify the damage location. For the modal-based identification, the multi-variant autoregressive model (MV-AR model) is used to identify the dynamic characteristics of structure. The MV-AR model parameters are then used to develop the vectors of autoregressive model and Mahalanobis distance, and then to identify the damage features and locate the damage. From the signal-based feature identification two damage features will be discussed: (1) the enhancement of time-frequency analysis of acceleration responses, and (2) WPT based energy damage indices. Discussion on the correlation of the extract local damage features from measurements with the global damage indices, such as null-space and subspace damage indices, is also made.

  4. Excitation Dependent Phosphorous Property and New Model of the Structured Green Luminescence in ZnO

    Science.gov (United States)

    Ye, Honggang; Su, Zhicheng; Tang, Fei; Wang, Mingzheng; Chen, Guangde; Wang, Jian; Xu, Shijie

    2017-01-01

    The copper induced green luminescence (GL) with two sets of fine structures in ZnO crystal has been found for several decades (i.e., R. Dingle, Phys. Rev. Lett. 23, 579 (1969)), but the physical origin of the doublet still remains as an open question up to now. In this paper, we provide new insight into the mechanism of the structured GL band in terms of new experimental findings and theoretical calculations. It is found, for the first time, that the GL signal exhibits persistent afterglow for tens of minutes after the switch-off of below-band-gap excitation light but it cannot occur under above-band-gap excitation. Such a phosphorous property may be interpreted as de-trapping and feeding of electrons from a shallow trapping level via the conduction band to the Cu-related luminescence centers where the Cu3+ ion is proposed to work as the final state of the GL emission. From first-principles calculation, such a Cu3+ ion in wurtzite ZnO prefers a high spin 3d8 state with two non-degenerated half-filled orbitals due to the Jahn-Teller effect, probably leading to the double structures in photoluminescence spectrum. Therefore, this model gives a comprehensively new understanding on the mechanism of the structured GL band in ZnO. PMID:28150699

  5. Electronic excitation induced structural and optical modifications in InGaN/GaN quantum well structures grown by MOCVD

    Energy Technology Data Exchange (ETDEWEB)

    Prabakaran, K.; Ramesh, R.; Jayasakthi, M.; Surender, S.; Pradeep, S. [Crystal Growth Centre, Anna University, Chennai (India); Balaji, M. [National Centre for Nanoscience and Nanotechnology, University of Madras, Guindy Campus, Chennai (India); Asokan, K. [Inter-University Accelerator Centre, New Delhi (India); Baskar, K., E-mail: drbaskar2009@gmail.com [Crystal Growth Centre, Anna University, Chennai (India); Manonmaniam Sundaranar University, Tirunelveli (India)

    2017-03-01

    Highlights: • Effects on InGaN/GaN QW structures by Au{sup 7+} (100 MeV) ion have been investigated. • Structural defects of the irradiated InGaN/GaN QW structures are determined. • The intermixing effect in irradiated InGaN/GaN QW structures were understood. • Modified luminescence was observed in the PL spectra due to heavy ion irradiation. • Surface modification was observed due to the heavy ion irradiation. - Abstract: The present study focuses on the electronic excitation induced structural and optical properties of InGaN/GaN quantum well (QW) structures grown by metal organic chemical vapor deposition technique. These excitations were produced using Au{sup 7+} ion irradiation with 100 MeV energy. The X-ray rocking curves intensity and full width at half-maximum values corresponding to the planes of (0 0 0 2) and (1 0 −1 5) of the irradiated QW structures show the modifications in the screw and edge-type dislocation densities vary with the ion fluences. The structural characteristics using the reciprocal space mapping indicate the intermixing effects in InGaN/GaN QW structures. Atomic force microscopy images confirmed the presence of nanostructures and the surface modification due to heavy ion irradiation. The irradiated QW structures exhibited degraded photoluminescence intensity and a subsequent decrease in the yellow luminescence band intensity with the fluences of 1 × 10{sup 11} and 5 × 10{sup 12} ions/cm{sup 2} compared to the pristine QW structures.

  6. Enhanced water removal in a fuel cell stack by droplet atomization using structural and acoustic excitation

    Science.gov (United States)

    Palan, Vikrant; Shepard, W. Steve

    This work examines new methods for enhancing product water removal in fuel cell stacks. Vibration and acoustic based methods are proposed to atomize condensed water droplets in the channels of a bipolar plate or on a membrane electrode assembly (MEA). The vibration levels required to atomize water droplets of different sizes are first examined using two different approaches: (1) exciting the droplet at the same energy level required to form that droplet; and (2) by using a method called 'vibration induced droplet atomization', or VIDA. It is shown analytically that a 2 mm radius droplet resting on a bipolar-like plate can be atomized by inducing acceleration levels as low as 250 g at a certain frequency. By modeling the direct structural excitation of a simplified bipolar plate using a realistic source, the response levels that can be achieved are then compared with those required levels. Furthermore, a two-cell fuel cell finite element model and a boundary element model of the MEA were developed to demonstrate that the acceleration levels required for droplet atomization may be achieved in both the bipolar plate as well as the MEA through proper choice of excitation frequency and source strength.

  7. Enhanced water removal in a fuel cell stack by droplet atomization using structural and acoustic excitation

    Energy Technology Data Exchange (ETDEWEB)

    Palan, Vikrant; Shepard, W. Steve [Department of Mechanical Engineering, The University of Alabama, 290 Hardaway Hall, Box 870276, Tuscaloosa, AL 35487 (United States)

    2006-09-22

    This work examines new methods for enhancing product water removal in fuel cell stacks. Vibration and acoustic based methods are proposed to atomize condensed water droplets in the channels of a bipolar plate or on a membrane electrode assembly (MEA). The vibration levels required to atomize water droplets of different sizes are first examined using two different approaches: (1) exciting the droplet at the same energy level required to form that droplet; and (2) by using a method called 'vibration induced droplet atomization', or VIDA. It is shown analytically that a 2mm radius droplet resting on a bipolar-like plate can be atomized by inducing acceleration levels as low as 250g at a certain frequency. By modeling the direct structural excitation of a simplified bipolar plate using a realistic source, the response levels that can be achieved are then compared with those required levels. Furthermore, a two-cell fuel cell finite element model and a boundary element model of the MEA were developed to demonstrate that the acceleration levels required for droplet atomization may be achieved in both the bipolar plate as well as the MEA through proper choice of excitation frequency and source strength. (author)

  8. Motor Cortex Excitability and BDNF Levels in Chronic Musculoskeletal Pain According to Structural Pathology.

    Science.gov (United States)

    Caumo, Wolnei; Deitos, Alícia; Carvalho, Sandra; Leite, Jorge; Carvalho, Fabiana; Dussán-Sarria, Jairo Alberto; Lopes Tarragó, Maria da Graça; Souza, Andressa; Torres, Iraci Lucena da Silva; Fregni, Felipe

    2016-01-01

    The central sensitization syndrome (CSS) encompasses disorders with overlapping symptoms in a structural pathology spectrum ranging from persistent nociception [e.g., osteoarthritis (OA)] to an absence of tissue injuries such as the one presented in fibromyalgia (FM) and myofascial pain syndrome (MPS). First, we hypothesized that these syndromes present differences in their cortical excitability parameters assessed by transcranial magnetic stimulation (TMS), namely motor evoked potential (MEP), cortical silent period (CSP), short intracortical inhibition (SICI) and short intracortical facilitation (SICF). Second, considering that the presence of tissue injury could be detected by serum neurotrophins, we hypothesized that the spectrum of structural pathology (i.e., from persistent nociception like in OA, to the absence of tissue injury like in FM and MPS), could be detected by differential efficiency of their descending pain inhibitory system, as assessed by the conditioned pain modulation (CPM) paradigm. Third, we explored whether brain-derived neurotrophic factor (BDNF) had an influence on the relationship between motor cortex excitability and structural pathology. This cross-sectional study pooled baseline data from three randomized clinical trials. We included females (n = 114), aged 19-65 years old with disability by chronic pain syndromes (CPS): FM (n = 19), MPS (n = 54), OA (n = 27) and healthy subjects (n = 14). We assessed the serum BDNF, the motor cortex excitability by parameters the TMS measures and the change on numerical pain scale [NPS (0-10)] during CPM-task. The adjusted mean (SD) on the SICI observed in the absence of tissue injury was 56.36% lower than with persistent nociceptive input [0.31(0.18) vs. 0.55 (0.32)], respectively. The BDNF was inversely correlated with the SICI and with the change on NPS (0-10)during CPM-task. These findings suggest greater disinhibition in the motor cortex and the descending pain inhibitory system in FM and MPS

  9. Motor Cortex Excitability and BDNF Levels in Chronic Musculoskeletal Pain According to Structural Pathology

    Science.gov (United States)

    Caumo, Wolnei; Deitos, Alícia; Carvalho, Sandra; Leite, Jorge; Carvalho, Fabiana; Dussán-Sarria, Jairo Alberto; Lopes Tarragó, Maria da Graça; Souza, Andressa; Torres, Iraci Lucena da Silva; Fregni, Felipe

    2016-01-01

    The central sensitization syndrome (CSS) encompasses disorders with overlapping symptoms in a structural pathology spectrum ranging from persistent nociception [e.g., osteoarthritis (OA)] to an absence of tissue injuries such as the one presented in fibromyalgia (FM) and myofascial pain syndrome (MPS). First, we hypothesized that these syndromes present differences in their cortical excitability parameters assessed by transcranial magnetic stimulation (TMS), namely motor evoked potential (MEP), cortical silent period (CSP), short intracortical inhibition (SICI) and short intracortical facilitation (SICF). Second, considering that the presence of tissue injury could be detected by serum neurotrophins, we hypothesized that the spectrum of structural pathology (i.e., from persistent nociception like in OA, to the absence of tissue injury like in FM and MPS), could be detected by differential efficiency of their descending pain inhibitory system, as assessed by the conditioned pain modulation (CPM) paradigm. Third, we explored whether brain-derived neurotrophic factor (BDNF) had an influence on the relationship between motor cortex excitability and structural pathology. This cross-sectional study pooled baseline data from three randomized clinical trials. We included females (n = 114), aged 19–65 years old with disability by chronic pain syndromes (CPS): FM (n = 19), MPS (n = 54), OA (n = 27) and healthy subjects (n = 14). We assessed the serum BDNF, the motor cortex excitability by parameters the TMS measures and the change on numerical pain scale [NPS (0–10)] during CPM-task. The adjusted mean (SD) on the SICI observed in the absence of tissue injury was 56.36% lower than with persistent nociceptive input [0.31(0.18) vs. 0.55 (0.32)], respectively. The BDNF was inversely correlated with the SICI and with the change on NPS (0–10)during CPM-task. These findings suggest greater disinhibition in the motor cortex and the descending pain inhibitory system in FM and

  10. Motor cortex excitability and BDNF levels in chronic musculoskeletal pain according to structural pathology

    Directory of Open Access Journals (Sweden)

    Alícia Deitos

    2016-07-01

    Full Text Available The central sensitization syndrome (CSS encompasses disorders with overlapping symptoms in a structural pathology spectrum ranging from persistent nociception [e.g., osteoarthritis (OA] to an absence of tissue injuries such as the one presented in fibromyalgia (FM and myofascial pain syndrome (MPS. First, we hypothesized that these syndromes present differences in their cortical excitability parameters assessed by TMS, namely motor evoked potential (MEP, cortical silent period (CSP, short intracortical inhibition (SICI and short intracortical facilitation (SICF. Second, considering that the presence of tissue injury could be detected by serum neurotrophins, we hypothesized that the spectrum of structural pathology (i.e., from persistent nociception like in OA, to the absence of tissue injury like in FM and MPS, could be detected by differential efficiency of their descending pain inhibitory system, as assessed by the conditioned pain modulation (CPM paradigm. Third, we explored whether BDNF had an influence on the relationship between motor cortex excitability and structural pathology. This cross-sectional study pooled baseline data from three randomized clinical trials. We included females (n=114, aged 19 to 65 years old with disability by chronic pain syndromes: FM (n= 19, MPS (n=54, OA (n=27 and healthy subjects (n=14. We assessed the serum BDNF, the motor cortex excitability by parameters the TMS measures and the change on Numerical Pain Scale [NPS (0-10] during CPM-task. The adjusted mean (SD on the SICI observed in the absence of tissue injury was 56.36% lower than with persistent nociceptive input [0.31(0.18 vs. 0.55 (0.32], respectively. The BDNF was inversely correlated with the SICI and with the change on NPS (0-10 during CPM-task. These findings suggest greater disinhibition in the motor cortex and the descending pain inhibitory system in FM and MPS than in OA and healthy subjects. Likewise, the inter-hemispheric disinhibition as well

  11. Vertical flows and structures excited by magnetic activity in the Galactic center region

    CERN Document Server

    Kakiuchi, Kensuke; Fukui, Yasuo; Torii, Kazufumi; Machida, Mami; Matsumoto, Ryoji

    2016-01-01

    The vertical flow structure in the galactic center region remains poorly understood. We analyzed the MHD simulation data by Suzuki et al. (2015) for better understanding. As a result, we found the fast downflows with a speed of ~100 km/s near the foot-points of magnetic loops. These downflows are flowing along a magnetic field line and accelerated by the gravity. The direction of the fast flows is changed by the magnetic loop geometry, as it moves. As a result, not only vertical motions but also azimuthal and radial motions are excited. This feature could be relevant to the observed high velocity dispersion in the position-velocity diagram.

  12. Structures of Annulenes and Model Annulene Systems in the Ground and Lowest Excited States

    Directory of Open Access Journals (Sweden)

    Pier Remigio Salvi

    2010-11-01

    Full Text Available The paper introduces general considerations on structural properties of aromatic, antiaromatic and non-aromatic conjugated systems in terms of potential energy along bond length alternation and distortion coordinates, taking as examples benzene, cyclobutadiene and cyclooctatetraene. Pentalene, formally derived from cyclooctatetraene by cross linking, is also considered as a typical antiaromatic system. The main interest is concerned with [n]annulenes and model [n]annulene molecular systems, n ranging from 10 to 18. The rich variety of conformational and  configurational isomers and of dynamical processes among them is described. Specific attention is devoted to bridged [10]- and [14]annulenes in the ground and lowest excited states as well as to s-indacene and biphenylene. Experimental data obtained from vibrational and electronic spectroscopies are discussed and compared with ab initio calculation results. Finally, porphyrin, tetraoxaporphyrin dication and diprotonated porphyrin are presented as annulene structures adopting planar/non-planar geometries depending on the steric hindrance in the inner macrocycle ring. Radiative and non-radiative relaxation processes from excited state levels have been observed by means of time-resolved fluorescence and femtosecond transient absorption spectroscopy. A short account is also given of porphycene, the structural isomer of porphyrin, and of porphycene properties.

  13. Non-iridescent transmissive structural color filter featuring highly efficient transmission and high excitation purity.

    Science.gov (United States)

    Shrestha, Vivek Raj; Lee, Sang-Shin; Kim, Eun-Soo; Choi, Duk-Yong

    2014-05-12

    Nanostructure based color filtering has been considered an attractive replacement for current colorant pigmentation in the display technologies, in view of its increased efficiencies, ease of fabrication and eco-friendliness. For such structural filtering, iridescence relevant to its angular dependency, which poses a detrimental barrier to the practical development of high performance display and sensing devices, should be mitigated. We report on a non-iridescent transmissive structural color filter, fabricated in a large area of 76.2 × 25.4 mm(2), taking advantage of a stack of three etalon resonators in dielectric films based on a high-index cavity in amorphous silicon. The proposed filter features a high transmission above 80%, a high excitation purity of 0.93 and non-iridescence over a range of 160°, exhibiting no significant change in the center wavelength, dominant wavelength and excitation purity, which implies no change in hue and saturation of the output color. The proposed structure may find its potential applications to large-scale display and imaging sensor systems.

  14. Non-iridescent Transmissive Structural Color Filter Featuring Highly Efficient Transmission and High Excitation Purity

    Science.gov (United States)

    Shrestha, Vivek Raj; Lee, Sang-Shin; Kim, Eun-Soo; Choi, Duk-Yong

    2014-05-01

    Nanostructure based color filtering has been considered an attractive replacement for current colorant pigmentation in the display technologies, in view of its increased efficiencies, ease of fabrication and eco-friendliness. For such structural filtering, iridescence relevant to its angular dependency, which poses a detrimental barrier to the practical development of high performance display and sensing devices, should be mitigated. We report on a non-iridescent transmissive structural color filter, fabricated in a large area of 76.2 × 25.4 mm2, taking advantage of a stack of three etalon resonators in dielectric films based on a high-index cavity in amorphous silicon. The proposed filter features a high transmission above 80%, a high excitation purity of 0.93 and non-iridescence over a range of 160°, exhibiting no significant change in the center wavelength, dominant wavelength and excitation purity, which implies no change in hue and saturation of the output color. The proposed structure may find its potential applications to large-scale display and imaging sensor systems.

  15. Compact surface structures for the efficient excitation of surface plasmon-polaritons

    Energy Technology Data Exchange (ETDEWEB)

    De la Cruz, S.; Mendez, E.R. [Division de Fisica Applicada, Centro de Investigacion Cientifica y de Educacion Superior de Ensenada, Carretera Ensenada-Tijuana No. 3918, Ensenada 22860, BC (Mexico); Macias, D.; Salas-Montiel, R.; Adam, P.M. [Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de Technologie de Troyes, 12 rue Marie Curie, BP-2060, 10010 Troyes Cedex (France)

    2012-06-15

    We present calculations of the efficiency of excitation of surface plasmon-polaritons (SPPs) with surface structures illuminated by focussed beams. First, it is shown that the low reflectivity observed with broad highly directional beams and periodic gratings does not necessarily imply an efficient coupling to SPPs. We then consider the coupling through surface features like steps, grooves and angled steps, and calculate efficiency maps for these structures as functions of the parameters that define them. Finally, we explore the possibilities of improving the coupling efficiency using periodic structures consisting of a small number of rectangular grooves. We find that a surface section with a length of about four wavelengths can couple as much as 45% of the incident light into a directional SPP. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Redistribution of Kv1 and Kv7 enhances neuronal excitability during structural axon initial segment plasticity.

    Science.gov (United States)

    Kuba, Hiroshi; Yamada, Rei; Ishiguro, Go; Adachi, Ryota

    2015-11-19

    Structural plasticity of the axon initial segment (AIS), the trigger zone of neurons, is a powerful means for regulating neuronal activity. Here, we show that AIS plasticity is not limited to structural changes; it also occurs as changes in ion-channel expression, which substantially augments the efficacy of regulation. In the avian cochlear nucleus, depriving afferent inputs by removing cochlea elongated the AIS, and simultaneously switched the dominant Kv channels at the AIS from Kv1.1 to Kv7.2. Due to the slow activation kinetics of Kv7.2, the redistribution of the Kv channels reduced the shunting conductance at the elongated AIS during the initiation of action potentials and effectively enhanced the excitability of the deprived neurons. The results indicate that the functional plasticity of the AIS works cooperatively with the structural plasticity and compensates for the loss of afferent inputs to maintain the homeostasis of auditory circuits after hearing loss by cochlea removal.

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

    Science.gov (United States)

    Zhang, Du; Yang, Weitao

    2016-10-01

    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 double 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(K4), 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.

  18. Morphological changes, beach inundation and overwash caused by an extreme storm on a low-lying embayed beach bounded by a dune system (NW Mediterranean)

    Science.gov (United States)

    Durán, Ruth; Guillén, Jorge; Ruiz, Antonio; Jiménez, José A.; Sagristà, Enric

    2016-12-01

    The geomorphological evolution of a low-lying, micro-tidal sandy beach in the western Mediterranean, Pals beach, was characterized using airborne Light Detection and Ranging (LiDAR) data. Data were collected in prior to and six months after the impact of an extreme storm with a return period of approx. 50 years, with the aim of characterizing the beach's response to the storm. The use of repeated high-resolution topographic data to quantify beach geomorphic changes has allowed assessment of the accuracy of different proxies for estimating beach volume changes. Results revealed that changes in the shoreline position cannot accurately reproduce beach volume changes on low-lying beaches where overwash processes are significant. Observations also suggested that volume estimations from beach profiles do not accurately represent subaerial volume changes at large profile distances on beaches with significant alongshore geomorphological variability. Accordingly, the segmentation of the beach into regularly spaced bins is proposed to assess alongshore variations in the beach volume with the accuracy of the topographic data. The morphological evolution of Pals beach during the study period showed a net shoreline retreat (- 4 m) and a significant sediment gain on the subaerial beach (+ 7.5 m3/m). The net gain of sediment is mostly due to the impact of the extreme storm, driving significant overwash processes that transport sediment landwards, increasing volume on the backshore and dunes. The increase of volume on the foreshore and the presence of cuspate morphologies along the shoreline also evidence post-storm beach recovery. Observed morphological changes exhibit a high variability along the beach related to variations in beach morphology. Changes in the morphology and migration of megacusps result in a high variability in the shoreline position and foreshore volume changes. On the other hand, larger morphological changes on the backshore and larger inundation distances

  19. Charge-resonance excitations in symmetric molecules - Comparison of linear response DFT with CC3 for the excited states of a model dimer

    DEFF Research Database (Denmark)

    Kuhlman, Thomas Scheby; Mikkelsen, Kurt V.; Møller, Klaus Braagaard;

    2009-01-01

    We present a study on the excited states of an ethylene dimer as to investigate the presence of and perturbation from low-lying charge-resonance states calculated by linear response density functional theory (DFT) using the B3LYP and CAM-B3LYP functionals. The calculations are compared to a refer......We present a study on the excited states of an ethylene dimer as to investigate the presence of and perturbation from low-lying charge-resonance states calculated by linear response density functional theory (DFT) using the B3LYP and CAM-B3LYP functionals. The calculations are compared...

  20. Non-contact mode excitation of small structures in air using ultrasound radiation force

    Science.gov (United States)

    Huber, Thomas M.; Purdham, John C.; Fatemi, Mostafa; Kinnick, Randall R.; Greenleaf, James F.

    2005-04-01

    With the advent of MEMS, modal analysis of small structures is increasingly important. However, conventional excitation techniques normally require contact, which may not be feasible for small objects. We present a non-contact method that uses interference of ultrasound frequencies in air to produce low-frequency excitation of structures. Objects studied included hard-drive HGA suspensions and MEMS devices. The vibration induced by the ultrasound radiation force was varied in a wide range from 0 Hz to 50 kHz. Object motion was detected using a laser vibrometer; measured frequencies agreed with expected values. Also demonstrated was the unique capability to selectively enhance or suppress modes independently. For example, the ratio of the vibrational amplitudes of the 175 Hz first-bending and 1.33 kHz torsional modes of a small cantilever could be changed from in excess of 10:1 to less than 1:10 by shifting the ultrasound modulation phase 90 degrees. Similar changes were obtained for a 3 mm square MEMS mirror in the ratios of vibration amplitude around its two separate axes. Torsional modes of a hard-drive suspension could be selectively enhanced by over a factor of two by moving the ultrasound focus point from near the center to near the edge of the suspension.

  1. Parametric and Non-Parametric Vibration-Based Structural Identification Under Earthquake Excitation

    Science.gov (United States)

    Pentaris, Fragkiskos P.; Fouskitakis, George N.

    2014-05-01

    The problem of modal identification in civil structures is of crucial importance, and thus has been receiving increasing attention in recent years. Vibration-based methods are quite promising as they are capable of identifying the structure's global characteristics, they are relatively easy to implement and they tend to be time effective and less expensive than most alternatives [1]. This paper focuses on the off-line structural/modal identification of civil (concrete) structures subjected to low-level earthquake excitations, under which, they remain within their linear operating regime. Earthquakes and their details are recorded and provided by the seismological network of Crete [2], which 'monitors' the broad region of south Hellenic arc, an active seismic region which functions as a natural laboratory for earthquake engineering of this kind. A sufficient number of seismic events are analyzed in order to reveal the modal characteristics of the structures under study, that consist of the two concrete buildings of the School of Applied Sciences, Technological Education Institute of Crete, located in Chania, Crete, Hellas. Both buildings are equipped with high-sensitivity and accuracy seismographs - providing acceleration measurements - established at the basement (structure's foundation) presently considered as the ground's acceleration (excitation) and at all levels (ground floor, 1st floor, 2nd floor and terrace). Further details regarding the instrumentation setup and data acquisition may be found in [3]. The present study invokes stochastic, both non-parametric (frequency-based) and parametric methods for structural/modal identification (natural frequencies and/or damping ratios). Non-parametric methods include Welch-based spectrum and Frequency response Function (FrF) estimation, while parametric methods, include AutoRegressive (AR), AutoRegressive with eXogeneous input (ARX) and Autoregressive Moving-Average with eXogeneous input (ARMAX) models[4, 5

  2. Vertical excitation profile in diffusion injected multi-quantum well light emitting diode structure

    Science.gov (United States)

    Riuttanen, L.; Kivisaari, P.; Svensk, O.; Vasara, T.; Myllys, P.; Oksanen, J.; Suihkonen, S.

    2015-03-01

    Due to their potential to improve the performance of light-emitting diodes (LEDs), novel device structures based on nanowires, surface plasmons, and large-area high-power devices have received increasing amount of interest. These structures are almost exclusively based on the double hetero junction (DHJ) structure, that has remained essentially unchanged for decades. In this work we study a III-nitride diffusion injected light-emitting diode (DILED), in which the active region is located outside the pn-junction and the excitation of the active region is based on bipolar diffusion of charge carriers. This unorthodox approach removes the need of placing the active region in the conventional current path and thus enabling carrier injection in device structures, which would be challenging to realize with the conventional DHJ design. The structure studied in this work is has 3 indium gallium nitride / gallium nitride (InGaN/GaN) quantum wells (QWs) under a GaN pn-junction. The QWs are grown at diferent growth temperatures for obtaining distinctive luminescence peaks. This allows to obtain knowledge on the carrier diffusion in the structure. When the device is biased, all QWs emit light indicating a significant diffusion current into the QW stack.

  3. The Out-of-the-Delta Hypothesis: dense human populations in low-lying river deltas served as agents for the evolution of a deadly pathogen

    Directory of Open Access Journals (Sweden)

    Yan eBoucher

    2015-10-01

    Full Text Available Cholera is a diarrheal disease that has changed the history of mankind, devastating the world with seven pandemics from 1817 to the present day. Although there is little doubt in the causative agent of these pandemics being Vibrio cholerae of the O1 serogroup, where, when, and how this pathogen emerged is not well understood. V. cholerae is a ubiquitous coastal species that likely existed for tens of thousands of years. However, the evolution of a strain capable of causing a large-scale epidemic is likely more recent historically. Here, we propose that the unique human and physical geography of low-lying river deltas made it possible for an environmental bacterium to evolve into a deadly human pathogen. Such areas are often densely populated and salt intrusion in drinking water frequent. As V. cholerae is most abundant in brackish water, its favored environment, it is likely that coastal inhabitants would regularly ingest the bacterium and release it back in the environment. This creates a continuous selection pressure for V. cholerae to adapt to life in the human gut.

  4. Damage detection in membrane structures using non-contact laser excitation and wavelet transformation

    Science.gov (United States)

    Huda, Feblil; Kajiwara, Itsuro; Hosoya, Naoki

    2014-08-01

    In this paper, a vibration testing and health monitoring system based on an impulse response excited by laser is proposed to detect damage in membrane structures. A high power Nd: YAG pulse laser is used to supply an ideal impulse to a membrane structure by generating shock waves via laser-induced breakdown in air. A health monitoring apparatus is developed with this vibration testing system and a damage detecting algorithm which only requires the vibration mode shape of the damaged membrane. Artificial damage is induced in membrane structure by cutting and tearing the membrane. The vibration mode shapes of the membrane structure extracted from vibration testing by using the laser-induced breakdown and laser Doppler vibrometer are then analyzed by 2-D continuous wavelet transformation. The location of damage is determined by the dominant peak of the wavelet coefficient which can be seen clearly by applying a boundary treatment and the concept of an iso-surface to the 2-D wavelet coefficient. The applicability of the present approach is verified by finite element analysis and experimental results, demonstrating the ability of the method to detect and identify the positions of damage induced on the membrane structure.

  5. Analysis on pseudo excitation of random vibration for structure of time flight counter

    Science.gov (United States)

    Wu, Qiong; Li, Dapeng

    2015-03-01

    Traditional computing method is inefficient for getting key dynamical parameters of complicated structure. Pseudo Excitation Method(PEM) is an effective method for calculation of random vibration. Due to complicated and coupling random vibration in rocket or shuttle launching, the new staging white noise mathematical model is deduced according to the practical launch environment. This deduced model is applied for PEM to calculate the specific structure of Time of Flight Counter(ToFC). The responses of power spectral density and the relevant dynamic characteristic parameters of ToFC are obtained in terms of the flight acceptance test level. Considering stiffness of fixture structure, the random vibration experiments are conducted in three directions to compare with the revised PEM. The experimental results show the structure can bear the random vibration caused by launch without any damage and key dynamical parameters of ToFC are obtained. The revised PEM is similar with random vibration experiment in dynamical parameters and responses are proved by comparative results. The maximum error is within 9%. The reasons of errors are analyzed to improve reliability of calculation. This research provides an effective method for solutions of computing dynamical characteristic parameters of complicated structure in the process of rocket or shuttle launching.

  6. Analysison Pseudo Excitation of Random Vibration for Structure of Time Flight Counter

    Institute of Scientific and Technical Information of China (English)

    WU Qiong; LI Dapeng

    2015-01-01

    Traditional computing method is inefficient for getting key dynamical parameters of complicated structure. Pseudo Excitation Method(PEM) is an effective method for calculation of random vibration. Due to complicated and coupling random vibration in rocket or shuttle launching, the new staging white noise mathematical model is deduced according to the practical launch environment. This deduced model is applied for PEM to calculate the specific structure of Time of Flight Counter(ToFC). The responses of power spectral density and the relevant dynamic characteristic parameters of ToFC are obtained in terms of the flight acceptance test level. Considering stiffness of fixture structure, the random vibration experiments are conducted in three directions to compare with the revised PEM. The experimental results show the structure can bear the random vibration caused by launch without any damage and key dynamical parameters of ToFC are obtained. The revised PEM is similar with random vibration experiment in dynamical parameters and responses are proved by comparative results. The maximum error is within 9%. The reasons of errors are analyzed to improve reliability of calculation. This research provides an effective method for solutions of computing dynamical characteristic parameters of complicated structure in the process of rocket or shuttle launching.

  7. Experimental Identification of Electric Field Excitation Mechanisms in a Structural Transition of Tokamak Plasmas

    Science.gov (United States)

    Kobayashi, T.; Itoh, K.; Ido, T.; Kamiya, K.; Itoh, S.-I.; Miura, Y.; Nagashima, Y.; Fujisawa, A.; Inagaki, S.; Ida, K.; Hoshino, K.

    2016-01-01

    Self-regulation between structure and turbulence, which is a fundamental process in the complex system, has been widely regarded as one of the central issues in modern physics. A typical example of that in magnetically confined plasmas is the Low confinement mode to High confinement mode (L-H) transition, which is intensely studied for more than thirty years since it provides a confinement improvement necessary for the realization of the fusion reactor. An essential issue in the L-H transition physics is the mechanism of the abrupt “radial” electric field generation in toroidal plasmas. To date, several models for the L-H transition have been proposed but the systematic experimental validation is still challenging. Here we report the systematic and quantitative model validations of the radial electric field excitation mechanism for the first time, using a data set of the turbulence and the radial electric field having a high spatiotemporal resolution. Examining time derivative of Poisson’s equation, the sum of the loss-cone loss current and the neoclassical bulk viscosity current is found to behave as the experimentally observed radial current that excites the radial electric field within a few factors of magnitude. PMID:27489128

  8. Ground- and excited-state structural orientation of 2-(2`-hydroxyphenyl)benzazoles in cyclodextrins

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, E.L.; Dey, J.; Warner, I.M. [Louisiana State Univ., Baton Rouge, LA (United States)

    1996-12-12

    The effects of {alpha}-, {beta}-, {gamma}-, and 2,6-di-O-methyl-{beta}-cyclodextrins (CDs) on the ground- and excited-state properties of 2-(2`-hydroxyphenyl)benzoxazole, 2-(2`-hydroxyphenyl)benzothiazole, and 2-(2`-hydroxyphenyl)benzimidazole in aqueous media are investigated. Steady-state fluorescence measurements are used to characterize the interaction of CDs with these azoles. Absorbance measurements indicate increased solubility of the azoles in aqueous solutions of CDs. Measurements of acidity constants (pK{sub a}) and data from induced circular dichroism indicate increased ground- and excited-state acidities of the phenolic protons of the molecules in the presence of CDs and axial orientation of the molecules within the CD cavity, respectively. The data further suggest a planar structure for HBO and a twisted confirmation for both HBT and HBI. The association constants of the inclusion complexes have also been estimated. These studies are further supplemented by comparative spectroscopic studies of 2-(2`-methoxyphenyl)benzothiazole in aqueous solutions of CDs. On the basis of the spectral data acquired, it is believed that the HBA molecules exist as zwitterionic tautomers in the presence of CDs. 35 refs., 6 figs., 2 tabs.

  9. Damage detection in composite structures using vibration response under stochastic excitation

    Science.gov (United States)

    Yang, Zhichun; Wang, Le; Wang, Hui; Ding, Yan; Dang, Xiaojuan

    2009-09-01

    The investigations in damage detection methods based on vibration response are reviewed according to two categories, i.e. model-based damage detection method (MBDDM) and non-model-based damage detection method (NMBDDM). Then a new concept of inner product vector (IPV) is introduced using the cross correlation function of the measured vibration responses of the structure, and the corresponding damage detection method is proposed based on this vector. It is theoretically proved that the elements in IPV of a structure is the inner product of the time domain vibration responses of corresponding measurement points, and this vector can be directly calculated using the measured time domain vibration responses. Under white noise excitation the IPV of a structure is a weighted summation of mode shapes of the structure, and the weighted factors of the summation only depend on modal parameters of the structure. The effect of measurement noise on IPV is also considered, and the effect can be eliminated by the definition of IPV and an interpolation technique. The difference of IPVs between the intact and damaged structure is adopted as the damage index, and damage location is determined by the abrupt change in the difference of IPV. In order to distinguish the abrupt change caused by structural damage and measurement noise, two thresholds are proposed to classify the damaged and intact structures. Numerical simulation results of damage detection of single-location and multi-location delamination in a composite laminate beam demonstrate the effectiveness and veracity of the proposed method, even though measurement noise is considered in the vibration responses.

  10. Near-complete structural characterization of phosphatidylcholines using electron impact excitation of ions from organics.

    Science.gov (United States)

    Campbell, J Larry; Baba, Takashi

    2015-06-02

    Although lipids are critical components of many cellular assemblies and biological pathways, accurate descriptions of their molecular structures remain difficult to obtain. Many benchtop characterization methods require arduous and time-consuming procedures, and multiple assays are required whenever a new structural feature is probed. Here, we describe a new mass-spectrometry-based workflow for enhanced structural lipidomics that, in a single experiment, can yield almost complete structural information for a given glycerophospholipid (GPL) species. This includes the lipid's sum (Brutto) composition from the accurate mass measured for the intact lipid ion and the characteristic headgroup fragment, the regioisomer composition from fragment ions unique to the sn-1 and sn-2 positions, and the positions of carbon-carbon double bonds in the lipid acyl chains. Here, lipid ions are fragmented using electron impact excitation of ions from organics (EIEIO)--a technique where the singly charged lipid ions are irradiated by an electron beam, producing diagnostic product ions. We have evaluated this methodology on various lipid standards, as well as on a biological extract, to demonstrate this new method's utility.

  11. Fundamentally excited flow past a surface-mounted rib. Part I: Turbulent structure characterisation

    Indian Academy of Sciences (India)

    P K Panigrahi

    2001-10-01

    Different data analysis techniques for characterisation of the turbulent flow past a surface-mounted rib are reviewed. Deficiencies of the existing techniques are explained and modified techniques for determination of coherent structure magnitude and phase jitter are suggested. The effect of fundamental excitation on the flow is studied by using these turbulent signal analysis techniques. The appropriate length scale for characterizing the large-scale structures present in the reattaching shear layer of the surface-mounted rib is found to be the momentum thickness at the downstream edge of the rib, and the corresponding Strouhal number is 0.013. This is in contrast to a rib in the free stream, where the rib height is the correct scaling parameter. The post reattachment region is observed to be dominated by large-scale structures contrary to the traditional belief that large eddies break into small scales at the reattachment location. Low magnitude of phase jitter in the near field region is observed, indicating coherence of the flow structures. Phase decorrelation begins to occur beyond three rib heights from the downstream edge of the rib. From the quadrant analysis results, the outer edge of the shear layer is observed to be dominated by large-scale ejection motions.

  12. Compound grating structures in photonic crystals for resonant excitation of azobenzene

    DEFF Research Database (Denmark)

    Jahns, Sabrina; Kallweit, Christine; Adam, Jost

    -difference time-domain (FDTD) calculations for determination of resonance positions and electric field strengths in compound grating structures. By superimposing two single-period gratings a photonic crystal can be designed supporting multiple guided mode resonances suitable to switch azobenzenes between...... is small and thus a high excitation light intensity is required. We investigate the enhancement of the local energy density using periodically nanostructured surfaces in a high refractive index material. Such photonic crystals support quasi-guided modes visible as resonances in the reflection as well...... as in the transmission light spectrum. These guided modes have field contributions decaying exponentially in the near field of the photonic crystal. Azobenzene immobilized on the photonic crystal surface will experience a significantly increased light intensity compared to non-resonant surfaces. We performed finite...

  13. Lifetime Reliability Estimate and Extreme Permanent Deformations of Randomly Excited Elasto-Plastic Structures

    DEFF Research Database (Denmark)

    Nielsen, Søren R.K.; Sørensen, John Dalsgaard; Thoft-Christensen, Palle

    1983-01-01

    A method is presented for life-time reliability' estimates of randomly excited yielding systems, assuming the structure to be safe, when the plastic deformations are confined below certain limits. The accumulated plastic deformations during any single significant loading history are considered...... to be the outcome of identically distributed, independent stochastic variables,for which a model is suggested. Further assuming the interarrival times of the elementary loading histories to be specified by a Poisson process, and the duration of these to be small compared to the designed life-time, the accumulated...... plastic deformation during several loadings can be modelled as a filtered Poisson process. Using the Markov property of this quantity the considered first-passage problem as well as the related extreme distribution problems are then solved numerically, and the results are compared to simulation studies....

  14. Maximum Theoretical Efficiency Limit of Photovoltaic Devices: Effect of Band Structure on Excited State Entropy.

    Science.gov (United States)

    Osterloh, Frank E

    2014-10-02

    The Shockley-Queisser analysis provides a theoretical limit for the maximum energy conversion efficiency of single junction photovoltaic cells. But besides the semiconductor bandgap no other semiconductor properties are considered in the analysis. Here, we show that the maximum conversion efficiency is limited further by the excited state entropy of the semiconductors. The entropy loss can be estimated with the modified Sackur-Tetrode equation as a function of the curvature of the bands, the degeneracy of states near the band edges, the illumination intensity, the temperature, and the band gap. The application of the second law of thermodynamics to semiconductors provides a simple explanation for the observed high performance of group IV, III-V, and II-VI materials with strong covalent bonding and for the lower efficiency of transition metal oxides containing weakly interacting metal d orbitals. The model also predicts efficient energy conversion with quantum confined and molecular structures in the presence of a light harvesting mechanism.

  15. Excited electronic structure of methylcyanoacetylene probed by VUV Fourier-transform absorption spectroscopy

    Science.gov (United States)

    Lamarre, N.; Gans, B.; Vieira Mendes, L. A.; Gronowski, M.; Guillemin, J.-C.; De Oliveira, N.; Douin, S.; Chevalier, M.; Crépin, C.; Kołos, R.; Boyé-Péronne, S.

    2016-10-01

    High resolution photoabsorption spectrum of gas-phase methylcyanoacetylene (CH3C3 N) has been recorded from 44 500 to 130 000 cm-1 at room temperature with a vacuum ultraviolet Fourier-transform spectrometer on the DESIRS synchrotron beamline (SOLEIL). The absolute photoabsorption cross section in this range is reported for the first time. Valence shell transitions and Rydberg series converging to the ground state X˜+2E of the cation as well as series converging to electronically excited states (A˜+A21 and C˜+) are observed and assigned. Time-dependent density-functional-theory calculations have been performed to support the assignment of the experimental spectrum in the low energy range. A tentative scaling of the previously measured CH3C3N+ ion yield by Lamarre et al. [17] is proposed, based on the comparison of the absorption data above the first ionization potential with the observed autoionization structures.

  16. Compound grating structures in photonic crystals for resonant excitation of azobenzene

    DEFF Research Database (Denmark)

    Jahns, Sabrina; Kallweit, Christine; Adam, Jost;

    -difference time-domain (FDTD) calculations for determination of resonance positions and electric field strengths in compound grating structures. By superimposing two single-period gratings a photonic crystal can be designed supporting multiple guided mode resonances suitable to switch azobenzenes between...... is small and thus a high excitation light intensity is required. We investigate the enhancement of the local energy density using periodically nanostructured surfaces in a high refractive index material. Such photonic crystals support quasi-guided modes visible as resonances in the reflection as well...... as in the transmission light spectrum. These guided modes have field contributions decaying exponentially in the near field of the photonic crystal. Azobenzene immobilized on the photonic crystal surface will experience a significantly increased light intensity compared to non-resonant surfaces. We performed finite...

  17. Structure of Krypton isotopes calculated with symmetry conserving configuration mixing methods

    CERN Document Server

    Rodríguez, Tomás R

    2014-01-01

    Shape transitions and shape coexistence in the $^{70-98}$Kr region are studied in a unified view with state-of-the-art beyond self-consistent mean field methods based on the Gogny D1S interaction. Beyond mean field effects are taken into account through the exact angular momentum and particle number restoration and the possibility of axial and non-axial shape mixing. The results of the low-lying properties of these isotopes are in good agreement with the experimental data when the triaxial degree of freedom is included. Shape transitions from axial-oblate ($^{70-72}$Kr) to triaxial-prolate ($^{74-78}$Kr) and from spherical-triaxial ($^{86-92}$Kr) to axial-oblate ($^{94-98}$Kr) ground states are obtained. Additionally, low-lying $0^{+}$ excited states and quasi-gamma bands are found showing the richness of the collective structure in this region.

  18. Exciting imperfection. Real-structure effects in magnesium-, cadmium-, and zinc-oxide

    Energy Technology Data Exchange (ETDEWEB)

    Schleife, Andre

    2010-07-01

    We employ recent ab-initio methods and theoretical spectroscopy techniques that rely on heavy numerical calculations to describe electronic excitations in non-ideal crystals of three group-II oxides. We study the ideal equilibrium polymorphs of these oxides, for gaining a thorough understanding as well as the necessary confidence in our approaches to generalize and apply them to the electronic excitations in imperfect crystals. As such imperfections we take the influence of strain, the alloying of the different oxides, an intrinsic point defect, and free electrons in the lowest conduction band into account. We employ the DFT results as input in order to compute quasiparticle electronic structures, which are in good agreement with experimental findings. According to Hedin's equations for interacting electrons, the electron-hole interaction is taken into account by solving a Bethe-Salpeter equation for the polarization function. Thereafter the equilibrium polymorphs of ideal bulk MgO, ZnO, and CdO and investigates the structure of their valence and conduction bands are described. We present densities of states and effective masses, as well as natural band discontinuities. Furthermore, our description of the dielectric function, which takes excitonic effects into account, enables us to derive the electron-energy loss function. The influence of uniaxial and biaxial strain on the ordering of the valence bands in ZnO is investigated. In addition, we explore the electronic band structure of the non-equilibrium wurtzite structures of MgO and CdO. We predict valence-band splittings and band gaps as they might occur at interfaces of Mgo or CdO with ZnO substrates. Thereafter we study pseudobinary alloys by means of a cluster expansion method. Due to the different crystal structures of the respective oxides, i.e. rocksalt and wurtzite, the description of their heterostructural combination has to be achieved. The electronic and optical properties of the group-II oxide

  19. Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates

    CERN Document Server

    Stefańska, Patrycja

    2016-01-01

    In this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities ($\\chi_{\\textrm{M}1 \\to \\textrm{E}2}$) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge $Ze$. Numerical values of this susceptibility for the hydrogen atom ($Z=1$) and for hydrogenic ions with $2 \\leqslant Z \\leqslant 137$ are computed from the general analytical formula, recently derived by us [P. Stefa{\\'n}ska, Phys. Rev. A 93 (2016) 022504], valid for an arbitrary discrete energy eigenstate. In this work we provide 30 tables with the values of $\\chi_{\\textrm{M}1 \\to \\textrm{E}2}$ for the ground state, and also for the first, the second and the third set of excited states (i.e.: 2s$_{1/2}$, 2p$_{1/2}$, 2p$_{3/2}$, 3s$_{1/2}$, 3p$_{1/2}$, 3p$_{3/2}$, 3d$_{3/2}$, 3d$_{5/2}$, 4s$_{1/2}$, 4p$_{1/2}$, 4p$_{3/2}$, 4d$_{3/2}$, 4d$_{5/2}$, 4f$_{5/2}$ and 4f$_{7/2}$) of the relativistic hydrogenlike atoms. The value of the inverse of the fine-structure constant used in the...

  20. An ab initio study of the low-lying electronic states of YO2 and Franck-Condon simulation of the first photodetachment band of YO2(-).

    Science.gov (United States)

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

    2008-05-15

    A variety of density functional theory and ab initio methods, including B3LYP, B98, BP86, CASSCF, CASSCF/RS2, CASSCF/MRCI, BD, BD(T), and CCSD(T), with ECP basis sets of up to the quintuple-zeta quality for Y, have been employed to study the X(2)B2 state of YO2 and the X(1)A1 state of YO2(-). Providing that the Y 4s(2)4p(6) outer-core electrons are included in the correlation treatment, the RCCSD(T) method gives the most consistent results and is concluded to be the most reliable and practical computational method for YO2 and YO2(-). In addition, RCCSD(T) potential energy functions (PEFs) of the X(2)B2 state of YO2 and the X(1)A1 state of YO2(-) were computed, employing the ECP28MDF_aug-cc-pwCVTZ and aug-cc-pVTZ basis sets for Y and O, respectively. Franck-Condon factors, which include allowance for Duschinsky rotation and anharmonicity, were calculated using the computed RCCSD(T) PEFs and were used to simulate the first photodetachment band of YO2(-). The simulated spectrum matches very well with the corresponding experimental 355 nm photodetachment spectrum of Wu, H.; Wang, L.-S. J. Phys. Chem. A 1998, 102, 9129, confirming the reliability of the RCCSD(T) PEFs used. Further calculations on low-lying electronic states of YO2 gave T(e)'s and T(vert)'s of the A(2)A1, B(2)B1, and C(2)A2 states of YO2, as well as EAs and VDEs to these states from the X(1)A1 state of YO2(-). On the basis of the ab initio VDEs obtained in the present study, previous assignments of the second and third photodetachment bands of YO2(-) have been revised.

  1. Electronic Excited States of Tungsten(0) Arylisocyanides

    OpenAIRE

    2015-01-01

    W(CNAryl)_6 complexes containing 2,6-diisopropylphenyl isocyanide (CNdipp) are powerful photoreductants with strongly emissive long-lived excited states. These properties are enhanced upon appending another aryl ring, e.g., W(CNdippPh^(OMe)_2)_6; CNdippPh^(OMe)_2 = 4-(3,5-dimethoxyphenyl)-2,6-diisopropylphenylisocyanide (Sattler et al. J. Am. Chem. Soc. 2015, 137, 1198−1205). Electronic transitions and low-lying excited states of these complexes were investigated by time-dependent density fun...

  2. Optimization of structures undergoing harmonic or stochastic excitation. Ph.D. Thesis; [atmospheric turbulence and white noise

    Science.gov (United States)

    Johnson, E. H.

    1975-01-01

    The optimal design was investigated of simple structures subjected to dynamic loads, with constraints on the structures' responses. Optimal designs were examined for one dimensional structures excited by harmonically oscillating loads, similar structures excited by white noise, and a wing in the presence of continuous atmospheric turbulence. The first has constraints on the maximum allowable stress while the last two place bounds on the probability of failure of the structure. Approximations were made to replace the time parameter with a frequency parameter. For the first problem, this involved the steady state response, and in the remaining cases, power spectral techniques were employed to find the root mean square values of the responses. Optimal solutions were found by using computer algorithms which combined finite elements methods with optimization techniques based on mathematical programming. It was found that the inertial loads for these dynamic problems result in optimal structures that are radically different from those obtained for structures loaded statically by forces of comparable magnitude.

  3. Narrow structure in the excitation function of η photoproduction off the neutron.

    Science.gov (United States)

    Werthmüller, D; Witthauer, L; Keshelashvili, I; Aguar-Bartolomé, P; Ahrens, J; Annand, J R M; Arends, H J; Bantawa, K; Beck, R; Bekrenev, V; Braghieri, A; Branford, D; Briscoe, W J; Brudvik, J; Cherepnya, S; Demissie, B; Dieterle, M; Downie, E J; Drexler, P; Fil'kov, L V; Fix, A; Glazier, D I; Hamilton, D; Heid, E; Hornidge, D; Howdle, D; Huber, G M; Jaegle, I; Jahn, O; Jude, T C; Käser, A; Kashevarov, V L; Kondratiev, R; Korolija, M; Kruglov, S P; Krusche, B; Kulbardis, A; Lisin, V; Livingston, K; MacGregor, I J D; Maghrbi, Y; Mancell, J; Manley, D M; Marinides, Z; Martinez, M; McGeorge, J C; McNicoll, E F; Metag, V; Middleton, D G; Mushkarenkov, A; Nefkens, B M K; Nikolaev, A; Novotny, R; Oberle, M; Ostrick, M; Oussena, B; Pedroni, P; Pheron, F; Polonski, A; Prakhov, S N; Robinson, J; Rosner, G; Rostomyan, T; Schumann, S; Sikora, M H; Sober, D; Starostin, A; Supek, I; Thiel, M; Thomas, A; Unverzagt, M; Watts, D P

    2013-12-06

    The photoproduction of η mesons off nucleons bound in 2H and 3He has been measured in coincidence with recoil protons and recoil neutrons for incident photon energies from threshold up to 1.4 GeV. The experiments were performed at the Mainz MAMI accelerator, using the Glasgow tagged photon facility. Decay photons from the η→2γ and η→3π0 decays and the recoil nucleons were detected with an almost 4π electromagnetic calorimeter combining the Crystal Ball and TAPS detectors. The data from both targets are of excellent statistical quality and show a narrow structure in the excitation function of γn→nη. The results from the two measurements are consistent, taking into account the expected effects from nuclear Fermi motion. The best estimates for position and intrinsic width of the structure are W=(1670±5)  MeV and Γ=(30±15)  MeV. For the first time precise results for the angular dependence of this structure have been extracted.

  4. A narrow structure in the excitation function of eta-photoproduction off the neutron

    CERN Document Server

    Werthmueller, D; Keshelashvili, I; Aguar-Bartolome, P; Ahrens, J; Annand, J R M; Arends, H J; Bantawa, K; Beck, R; Bekrenev, V; Braghieri, A; Branford, D; Briscoe, W J; Brudvik, J; Cherepnya, S; Demissie, B; Dieterle, M; Downie, E J; Drexler, P; Fil'kov, L V; Fix, A; Glazier, D I; Hamilton, D; Heid, E; Hornidge, D; Howdle, D; Huber, G M; Jaegle, I; Jahn, O; Jude, T C; Kaeser, A; Kashevarov, V L; Kondratiev, R; Korolija, M; Kruglov, S P; Krusche, B; Kulbardis, A; Lisin, V; Livingston, K; MacGregor, I J D; Maghrbi, Y; Mancell, J; Manley, D M; Marinides, Z; Martinez, M; McGeorge, J C; McNicoll, E F; Metag, V; Middleton, D G; Mushkarenkov, A; Nefkens, B M K; Nikolaev, A; Novotny, R; Oberle, M; Ostrick, M; Oussena, B; Pedroni, P; Pheron, F; Polonski, A; Prakhov, S N; Robinson, J; Rosner, G; Rostomyan, T; Schumann, S; Sikora, M H; Sober, D; Starostin, A; Supek, I; Thiel, M; Thomas, A; Unverzagt, M; Watts, D P

    2013-01-01

    The photoproduction of $\\eta$-mesons off nucleons bound in $^2$H and $^3$He has been measured in coincidence with recoil protons and recoil neutrons for incident photon energies from threshold up to 1.4 GeV. The experiments were performed at the Mainz MAMI accelerator, using the Glasgow tagged photon facility. Decay photons from the $\\eta\\rightarrow 2\\gamma$ and $\\eta\\rightarrow 3\\pi^0$ decays and the recoil nucleons were detected with an almost $4\\pi$ electromagnetic calorimeter combining the Crystal Ball and TAPS detectors. The data from both targets are of excellent statistical quality and show a narrow structure in the excitation function of $\\gamma n\\rightarrow n\\eta$. The results from the two measurements are consistent taking into account the expected effects from nuclear Fermi motion. The best estimates for position and intrinsic width of the structure are $W$ = (1670$\\pm$5) MeV and $\\Gamma$ =(30$\\pm$15) MeV. For the first time precise results for the angular dependence of this structure have been ext...

  5. The crystal structure and vibrational spectra of two molecules emitting dual fluorescence: 4-(1H-Pyrrol-1-yl)benzonitrile (PBN) and 5-cyano-2-(1pyrrolyl)-pyridine (CPP)

    Energy Technology Data Exchange (ETDEWEB)

    Schweke, D.; Abramov, S. [Department of Physical Chemistry and the Farkas Center for Light Induced Processes, Hebrew University of Jerusalem, Jerusalem (Israel); Haas, Y. [Department of Physical Chemistry and the Farkas Center for Light Induced Processes, Hebrew University of Jerusalem, Jerusalem (Israel)], E-mail: yehuda@chem.ch.huji.ac.il

    2007-05-21

    Crystal structures and vibrational spectra are reported for the two title molecules which exhibit dual fluorescence due to the existence of a low lying charge transfer excited state. The data show that in the ground state PBN is twisted whereas CPP is planar, and the crystal structures are quite different. The experimental spectra are in very good agreement with quantum mechanical calculations, which also predict considerable differences between the vibrational spectra of CPP in the ground state and in the charge transfer excited state.

  6. Response measurements for two building structures excited by noise from a large horizontal axis wind turbine generator

    Science.gov (United States)

    Hubbard, H. H.; Shepherd, K. P.

    1984-01-01

    Window and wall acceleration measurements and interior noise measurements ere made for two different building structures during excitation by noise from the WTS-4 horizontal axis wind turbine generator operating in a normal power generation mode. With turbine noise input pulses resulted in acceleration pulses for the wall and window elements of the two tests buildings. Response spectra suggest that natural vibration modes of the structures are excited. Responses of a house trailer were substantially greater than those for a building of sturdier construction. Peak acceleration values correlate well with similar data for houses excited by flyover noise from commercial and military airplanes and helicopters, and sonic booms from supersonic aircraft. Interior noise spectra have peaks at frequencies corresponding to structural vibration modes and room standing waves; and the levels for particular frequencies and locations can be higher than the outside levels.

  7. Excitation energy-dependent nature of Raman scattering spectrum in GaInNAs/GaAs quantum well structures.

    Science.gov (United States)

    Erol, Ayse; Akalin, Elif; Sarcan, Fahrettin; Donmez, Omer; Akyuz, Sevim; Arikan, Cetin M; Puustinen, Janne; Guina, Mircea

    2012-11-28

    The excitation energy-dependent nature of Raman scattering spectrum, vibration, electronic or both, has been studied using different excitation sources on as-grown and annealed n- and p-type modulation-doped Ga1 - xInxNyAs1 - y/GaAs quantum well structures. The samples were grown by molecular beam technique with different N concentrations (y = 0%, 0.9%, 1.2%, 1.7%) at the same In concentration of 32%. Micro-Raman measurements have been carried out using 532 and 758 nm lines of diode lasers, and the 1064 nm line of the Nd-YAG laser has been used for Fourier transform-Raman scattering measurements. Raman scattering measurements with different excitation sources have revealed that the excitation energy is the decisive mechanism on the nature of the Raman scattering spectrum. When the excitation energy is close to the electronic band gap energy of any constituent semiconductor materials in the sample, electronic transition dominates the spectrum, leading to a very broad peak. In the condition that the excitation energy is much higher than the band gap energy, only vibrational modes contribute to the Raman scattering spectrum of the samples. Line shapes of the Raman scattering spectrum with the 785 and 1064 nm lines of lasers have been observed to be very broad peaks, whose absolute peak energy values are in good agreement with the ones obtained from photoluminescence measurements. On the other hand, Raman scattering spectrum with the 532 nm line has exhibited only vibrational modes. As a complementary tool of Raman scattering measurements with the excitation source of 532 nm, which shows weak vibrational transitions, attenuated total reflectance infrared spectroscopy has been also carried out. The results exhibited that the nature of the Raman scattering spectrum is strongly excitation energy-dependent, and with suitable excitation energy, electronic and/or vibrational transitions can be investigated.

  8. Electron beam excitation of coherent sub-terahertz radiation in periodic structures manufactured by 3D printing

    Science.gov (United States)

    Phipps, A. R.; MacLachlan, A. J.; Robertson, C. W.; Zhang, L.; Konoplev, I. V.; Cross, A. W.; Phelps, A. D. R.

    2017-07-01

    For the creation of novel coherent sub-THz sources excited by electron beams there is a requirement to manufacture intricate periodic structures to produce and radiate electromagnetic fields. The specification and the measured performance is reported of a periodic structure constructed by additive manufacturing and used successfully in an electron beam driven sub-THz radiation source. Additive manufacturing, or ;3D printing;, is promising to be quick and cost-effective for prototyping these periodic structures.

  9. Excited and enhanced twinborn acoustic-induced mutual forces in oblique grating structures

    Science.gov (United States)

    Lu, Shuifang; Zhang, Xin; Wu, Fugen; Yao, Yuanwei; Chen, Zongwang

    2016-07-01

    We propose a water-immersed geometrically oblique grating structure patterned with a 1D periodic array of oblique rhombuses. Twin acoustic-induced mutual forces (both repulsive and attractive) between coupled steel plates were realized in this system when the external plane wave normally impacted the plates. Calculations showed that the emerging forces are more than an order of magnitude larger than the corresponding induced force of a conventional grating structure. We also found that the strong acoustic-induced mutual forces stem from the resonant excitation of nonleaky flexural Lamb modes in the coupled plates, and that these forces couple more strongly with the external incident acoustic waves. Furthermore, the amplitudes and resonant wavelengths of these forces can be coarsely controlled by changing the symmetry of the system and finely adjusted by varying the slant angle and the edge-length of the oblique rhombus. The proposed acoustic system could potentially be applied in sensors and in the ultrasonic detection of weak signals in water.

  10. Geo-statistical modeling to evaluate the socio-economic impacts of households in the context of low-lying areas conversion in Colombo metropolitan region-Sri Lanka

    Science.gov (United States)

    Hemakumara, GPTS; Rainis, Ruslan

    2015-02-01

    Living in Low-lying areas is a challenging task, but due to the lack of suitable land at affordable prices, thousands of householders have been establishing their own houses on Low-lying areas. Manipulation and conversion of low lying areas have led to an increase in the frequency and severity of micro disasters because the cumulative effect of these settlements is very high. Therefore, it is needed to examine how individual households have been emerging in Low-lying areas. This process is primarily influenced and controlled by Socio-economic factors. In the field survey conducted for this study, 388 householders were interviewed face to face to obtain the primary data. Collected data were applied to the Multivariate binary logistic Model. The Dependent variable of the model was set as Stable Houses and Non-Stable Houses based on the weighted values that were obtained from the field observations. Independent variables of this study are nine key aspects of the socio-economic conditions in these areas. Units of analysis of the study were taken as individual housing plots in the study area. The particular combination of Socio-Economic factors that exerted influence on each housing plot was measured using predicted probability value of logistic model and linked it with GIS land plot's map. Accuracy of Final Model is 86.9 % and probability level of influencing factors given a clear idea about household distribution and status while providing guidance about how the planning authorities should monitor and manage low lying areas, taking into consideration the present housing condition of these areas.

  11. Rotational Spectroscopy as a Tool to Investigate Interactions Between Vibrational Polyads in Symmetric Top Molecules: Low-Lying States v_8 ≤ 2 OF Methyl Cyanide

    Science.gov (United States)

    Müller, Holger S. P.; Ordu, Matthias H.; Lewen, Frank; Brown, Linda; Drouin, Brian; Pearson, John; Sung, Keeyoon; Kleiner, Isabelle; Sams, Robert

    2015-06-01

    Rotational and rovibrational spectra of methyl cyanide were recorded to analyze interactions in low-lying vibrational states and to construct line lists for radio astronomical observations as well as for infrared spectroscopic investigations of planetary atmospheres. The rotational spectra cover large portions of the 36-1627~GHz region. In the infrared (IR), a spectrum was recorded for this study in the region of 2ν_8 around 717~cm-1 with assignments covering 684-765~cm-1. Additional spectra in the ν _8 region were used to validate the analysis. Using ν _8 data as well as spectroscopic parameters for v_4 = 1, v_7 = 1, and v_8 = 3 from previous studies, we analyzed rotational data involving v = 0, v_8 = 1, and v_8 = 2 up to high J and K quantum numbers. We analyzed a strong Δ v_8 = ± 1, Δ K = 0, Δ l = ±3 Fermi resonance between v_8 = 1-1 and v_8 = 2+2 at K = 14 and obtained preliminary results for two further Fermi resonances between v_8 = 2 and 3. We also found resonant Δ v_8 = ± 1, Δ K = ∓ 2, Δ l = ± 1 interactions between v_8 = 1 and 2 and present the first detailed analysis of such a resonance between v_8 = 0 and 1. We discuss the impact of this analysis on the v_8 = 1 and 2 as well as on the axial v = 0 parameters and compare selected CH_3CN parameters with those of CH_3CCH and CH_3NC. We evaluated transition dipole moments of ν _8, 2ν _8 - ν _8, and 2ν _8 for remote sensing in the IR. Part of this work was carried out at the Jet Propulsion Laboratory under contract with the National Aeronautics and Space Administration. M. Koivusaari et al., J. Mol. Spectrosc. 152 (1992) 377-388. A.-M. Tolonen et al., J. Mol. Spectrosc. 160 (1993) 554-565.

  12. Water dynamics and nitrogen balance under different agricultural management practices in the low-lying plain of north-east Italy

    Science.gov (United States)

    Camarotto, Carlo; Dal Ferro, Nicola; Piccoli, Ilaria; Polese, Riccardo; Furlan, Lorenzo; Chiarini, Francesca; Berti, Antonio; Morari, Francesco

    2017-04-01

    In the last decades the adoption of sustainable land management practices (e.g. conservation agriculture, use of cover crops) has been largely subsidized by the EU policy in an attempt to combine competitive agricultural production with environmental protection, e.g. reduce nitrogen losses and optimize water management. However, the real environmental benefits of these practices is still questioned since strongly dependent on local pedo-climatic variability. This study aimed to evaluate water and nitrogen balances in sustainable land management systems including conservation agriculture (CA) practices or use of cover crops (CC). The experimental fields, established in 2010, are localized in the low-lying plain of the Veneto Region (NE Italy), characterized by a shallow water table and identified as Nitrate Vulnerable Zone. In March 2016, a total of nine soil-water monitoring stations have been installed in CA, CC and conventional fields. The stations (three per each field) were set up with multi-sensors probes (10 cm, 30 cm and 60 cm depth) for the continuous monitoring of soil electrical conductivity (EC, dS m-1), soil temperature (T, °C) and volumetric water content (WC, m3 m-3). A wireless system in ISM band has been designed to connect the soil-water monitoring stations to a unique access point, where the data were sent to a cloud platform via GSM. Water samples at each station were collected every two weeks using a suction cups (installed at 60 cm depth) and a phreatic wells, which were also used to record the water table level. Climatic data, collected from a weather station located in the experimental field, were combined with soil-water data to estimate water and nitrogen fluxes in the root zone. During the first year, relevant differences in water and nitrogen dynamics were observed between the treatments. It can be hypothesized that the combined effect of undisturbed soil conditions and continuous soil cover were major factors to affect water

  13. Structures of 17F and 17O, 17Ne and 17N in the Ground State and the First Excited State

    Institute of Scientific and Technical Information of China (English)

    张虎勇; 沈文庆; 任中洲; 马余刚; 陈金根; 蔡翔舟; 卢照辉; 钟晨; 郭威; 魏义彬; 周星飞; 马国亮; 王鲲

    2003-01-01

    The structures of two couples of mirror nuclei 17 F and 17 O, 17 Ne and 17 N in the ground state and in the first excited state are investigated using the relativistic mean-field approach. Two-proton halo in 17Ne in the first excited state and in the ground state and two-neutron halo in 17N in the first excited state are suggested.Meanwhile, one-proton halo in 17 F in the first excited state and one-neutron halo in 17 O in the first excited state are also suggested. The skin structure appears in 17F and 17N in the ground state.

  14. Visible and near-infrared excitation spectra from the neptunyl ion doped into a uranyl tetrachloride lattice

    Science.gov (United States)

    Barker, Beau J.; Berg, John M.; Kozimor, Stosh A.; Wozniak, Nicholas R.; Wilkerson, Marianne P.

    2016-03-01

    Visible and near-infrared illumination induces 5f-5f and ligand-to-metal charge-transfer (LMCT) transitions of the neptunyl tetrachloride anion in polycrystalline Cs2U(Np)O2Cl4, and results in near-infrared luminescence from the second electronically excited state to the ground state. This photoluminescence is used as a detection method to collect excitation spectra throughout the near-infrared and visible regions. The excitation spectra of LMCT transitions in excitation spectra were identified in previous work. Here the measurement and analysis is extended to include both LMCT and intra-5f transitions. The results manifest variation in structural properties of the neptunium-oxo bond among the low-lying electronic states. Vibronic intensity patterns and energy spacings are used to compare bond lengths and vibrational frequencies in the excited states, confirming significant characteristic differences between those excited by 5f-5f transitions from those due to LMCT transitions. Results are compared with recently published RASPT2/SO calculations of [NpO2Cl4]2-.

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

    Science.gov (United States)

    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.

  16. The evaluation of temporal electronic structures of nonresonant Raman excited virtual state of thiourea

    Institute of Scientific and Technical Information of China (English)

    Fang Chao; Sun Li-Feng

    2011-01-01

    An algorithm has been introduced to calculate molecular bond polarizabilities of thiourea, which supply essential electronic information about the nonresonant Raman excited virtual states.The main dynamical behaviour of the excited virtual states of thiourea is that the Raman excited electrons tend to flow to the N-H bonds and C-N bonds from the S-C bonds because of the electronic repulsion effect. The difference in Raman excited electron relaxation time of thiourea under 514.5-nm and 325-nm excitations has been observed, which quantitatively shows that the Raman scattering process is dependent on the wavelength of the pumping laser. Finally, the distribution of the electrons at the final stage of relaxation is given out through the comparison between the bond electronic densities of the ground states and the bond polarizabilities after deexcitation.

  17. Correlation between band excitation energies and strength parameters in the pseudo-SU(3) model

    Energy Technology Data Exchange (ETDEWEB)

    Thalluri, S. (Koneru Lakshmaiah Coll. of Engineering, Green Fields, Guntur (India). Dept. of Physics; Andhra Christian Coll., Guntur (India). Dept. of Physics)

    1982-11-01

    Low-lying energy spectra of some odd-A isotopes of Lu and Ta are predicted using the quadrupole-quadrupole interaction as the effective residual interaction together with the usual spin-orbit and extrapolation terms in the Hamiltonian. It is suggested that the Coriolis antipairing force might generate the correct doublet structure of the 1/2/sup +/ bands, especially in highly deformed regions. It is shown that the pseudo-SU(3) model satisfies the general requirement that it is capable of describing the spectral behaviour of different nuclei with only minor variations in the strength parameters. Correlations between the band excitation energies and the strength parameters are also given in a first approximation. The ratios of interband M1 transition probabilities are also presented.

  18. Measurement of astrophysically important excitation energies of 58Zn with GRETINA

    Directory of Open Access Journals (Sweden)

    Langer C.

    2014-03-01

    Full Text Available The level structure of neutron-deficient 58Zn has been extracted experimentally. This nucleus is important for the rapid proton-capture process. 58Zn was produced by using a (d,n-type transfer reaction on 57Cu in inverse kinematics at beam energies of 75 MeV/u. Several γ-ray transitions have been identified. The experiment utilized the state-of-the-art GRETINA γ-ray energy tracking array in conjunction with the largeacceptance spectrometer S800 at NSCL. The excitation energies of the identified low-lying states in 58Zn are important for constraining the 57Cu(p,γ58Zn reaction rate under X-ray burst conditions.

  19. Radiation excited by a charged-particle bunch on a planar periodic wire structure

    Directory of Open Access Journals (Sweden)

    Andrey V. Tyukhtin

    2014-12-01

    Full Text Available The electromagnetic field of a bunch moving in the presence of a plane grid composed of thin parallel wires is considered by using the averaged boundary conditions method. Two different cases of motion are examined. In the first one, the bunch moves at a constant distance from the grid orthogonally to the wires. The excited surface wave is presented in the form of a spectral integral for a thin bunch with an arbitrary longitudinal profile. The wave propagates along the wires and does not decay with distance (if dissipation is negligible. Energy losses of the bunch over a unit path are obtained. In the second case, the bunch orthogonally crosses the wire grid. The volume and surface waves are separately analyzed. Properties of the spectral angular density of energy of volume radiation in the far-field zone are described. The energy losses due to the volume and surface radiation are determined. It is demonstrated that the structure of the surface waves in both cases allows determination of the length of the bunch.

  20. First-principle studies of electronic structure and magnetic excitations in FeSe monolayer

    Science.gov (United States)

    Bazhirov, Timur; Cohen, Marvin L.

    2013-03-01

    Recent experimental advances made it possible to study single-layered superconducting systems of iron-based compounds. The results show evidence of significant enhancement of superconducting properties compared to the bulk case. We use first-principle pseudopotential density functional theory techniques and the local spin-density approximation to study the electronic properties of an FeSe monolayer in different spin configurations. The results show that the experimental shape of the Fermi surface is best described by a checkerboard antiferromagnetic (AFM) spin arrangement. To explore the underlying pairing mechanism, we study the evolution of the non-magnetic to the AFM-ordered structures under constrained magnetization, and we estimate the electronic coupling to magnetic excitations involving transfer and increase of iron magnetic moments and compare it to the electron-phonon coupling. Finally, we simulate the substrate-induced interaction by using uniform charge doping and show that the latter can lead to an increase in the density of states at the Fermi level and possibly produce higher superconducting transition temperatures. This work was supported by NSF grant No. DMR10-1006184 and U.S. DOE under Contract No. DE-AC02-05CH11231. Computational resources have been provided by DOE at Lawrence Berkeley National Laboratory's NERSC facility

  1. Nuclear structure effects of the nuclei {sup 152,154,156}Dy at high excitation energy and large angular momentum

    Energy Technology Data Exchange (ETDEWEB)

    Martin, V. [Analisis Numerico, Facultad de Informatica, Universidad Politecnica de Madrid, E-28660 Madrid (Spain); Egido, J.L. [Departamento de Fisica Teorica C-XI, Universidad Autonoma de Madrid, E-28049 Madrid (Spain)

    1995-06-01

    Using the finite-temperature Hartree-Fock-Bogoliubov formalism we analyze the properties of the nuclei {sup 152,154,156}Dy at the quasicontinuum region from {ital I}=0{h_bar} to 70{h_bar} and excitation energy up to approximately 16 MeV. We discuss energy gaps, shapes, moments of inertia, and entropy among others. The role of shape fluctuations is studied in the frame of classical statistics and we find large effects on several observables. A very rich structure is found in terms of excitation energy and angular momentum.

  2. Inner-shell photoabsorption spectra--A theoretical study to determine the geometry structure of the core excited methane

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on multi-scattering self-consistent field method, the photoabsorption spectra near C 1s threshold of CH4 (near-threshold structure) have been studied with the broken symmetry from Td. The most possible geometry of the core excited CH**4 is determined as the C3v symmetry; the core excited CH**4 molecules have the same bond angle (109.5°) as that of the ground state CH4 and consist of one shorter bond length (1.91 a.u.) and three longer bond lengths (2.04 a.u.). The three longer bond lengths are almost the same as that of the ground state CH4, and the averaged bond length (2.01 a.u.) of core excited CH**4 is shorter than that of the ground state CH4 (2.06 a.u.).

  3. MRCI study of the spectroscopic parameters and transition properties of the 36 low-lying electronic states of the B2 molecule

    Science.gov (United States)

    Xing, Wei; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2017-10-01

    This paper studied the spectroscopic and transition properties of 36 low-lying states, which came from the first two dissociation limits of B2 molecule. The potential energy curves were calculated with the complete active space self-consistent field (CASSCF) method, which was followed by the internally contracted multireference configuration interaction (icMRCI) plus Davidson modification (icMRCI + Q) approach. Of these 36 states, the 25Σu-, 15Σu+, 25Πu, and 15Δu states were repulsive; the B3Δu, E3Σu+, f1Σu-, g1Πg, 23Πu, 33Σg-, 33Πu, 15Πg, and 33Σu+ states had double wells; the B3Δu, E3Σu+, G3Σu+, f1Σu-, g1Πg, 33Σg-, 23Πu, 33Πu, 15Πg, 25Πg, 25Σg-, and 33Σu+ states had one barrier; the 25Σg- state and the second wells of B3Δu, E3Σu+, 15Πg, f1Σu-, g1Πg, and 23Πu states were weakly bound; and the 25Σg- state had no vibrational levels. The avoided crossings existed between the B3Δu and 23Δu states, the E3Σu+ and G3Σu+ states, the G3Σu+ and 33Σu+ states, the 33Σu+ and 43Σu+ states, the 23Πu and 33Πu states, the g1Πg and 21Πg states, the 23Σg- and 33Σg- states, the 15Πg and 25Πg states, the 25Πg and 35Πg states, the 25Σg- and 35Σg- states, as well as the F3Πg and 33Πg states. Core-valence correlation and scalar relativistic corrections were taken into account. The extrapolation to the complete basis set limit was done. The spectroscopic parameters and vibrational properties were obtained. The transition dipole moments were calculated. Franck-Condon factors of some transitions were evaluated. The spin-orbit coupling (SOC) effect on the spectroscopic parameters and vibrational properties is tiny and sometimes even can be negligible. The results determined in this paper can provide some powerful guidelines to observe these states, in particular the states which have not been studied in the experiment.

  4. Excited baryons

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested. (LEW)

  5. Implementation and Application of the Relativistic Equation of Motion Coupled-cluster Method for the Excited States of Closed-shell Atomic Systems

    CERN Document Server

    Nandy, D K; Sahoo, B K

    2014-01-01

    We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This theoretical development will be very useful to carry out high precision calculations of varieties of atomic properties in many atomic systems. We employ this method to calculate excitation energies of many low-lying states in a few Ne-like highly charged ions, such as Cr XV, Fe XVII, Co XVIII and Ni XIX ions, and compare them against their corresponding experimental values to demonstrate the accomplishment of the EOMCC implementation. The considered ions are apt to substantiate accurate inclusion of the relativistic effects in the evaluation of the atomic properties and are also interesting for the astrophysical studies. Investigation of the temporal variation of the fine structure constant (\\alpha) from the astrophysical observations is one of the modern research problems...

  6. Neural Network Identification and Control of a Parametrically Excited Structural Dynamic Model of an F-15 Tail Section

    Directory of Open Access Journals (Sweden)

    Ayman A. El-Badawy

    2000-01-01

    Full Text Available We investigated the design of a neural-network-based adaptive control system for a smart structural dynamic model of the twin tails of an F-15 tail section. A neural network controller was developed and tested in computer simulation for active vibration suppression of the model subjected to parametric excitation. First, an emulator neural network was trained to represent the structure to be controlled and thus used in predicting the future responses of the model. Second, a neurocontroller to determine the necessary control action on the structure was developed. The control was implemented through the application of a smart material actuator. A strain gauge sensor was assumed to be on each tail. Results from computer-simulation studies have shown great promise for control of the vibration of the twin tails under parametric excitation using artificial neural networks.

  7. THE ACQM THEORETICAL CALCULATION OF LOW—LYING EXCITED STATES FOR HeH

    Institute of Scientific and Technical Information of China (English)

    Q.Q.GOU; Z.Y.Huang; 等

    1990-01-01

    The Low-lying excited states of HeH have been calculated by arrangement channel quantum mechanics(ACQM),The calculated potential curves,equilibrium geometry,Rc.dissociation energy Dc.harmonic vibration frequency ω0 and quadratic force coustant F2 are comparable with Ci calculations.

  8. Structure and decay of the pygmy dipole resonance in 26Ne

    CERN Document Server

    Kimura, M

    2016-01-01

    The low-lying spectra of $^{24,25,26}{\\rm Ne}$ and the structure of the pygmy dipole resonance (PDR) in $^{26}{\\rm Ne}$ have been theoretically studied by the antisymmetrized molecular dynamics (AMD) and its extended version called shifted-basis AMD. The calculated energy and strength of the PDR reasonably agree with the observation, and the analysis of the wave function shows that the PDR is dominated by neutron excitation coupled to the quadrupole excited core nucleus $^{25}{\\rm Ne}$, which explains the observed unexpected decay of PDR to the excited states of $^{25}{\\rm Ne}$. The large isoscalar component of PDR is also shown and the enhancement of the core excitation in neutron-rich Ne isotopes is conjectured.

  9. Magnetic structures and excitations in CePd2(Al,Ga)2 series: Development of the "vibron" states

    Science.gov (United States)

    Klicpera, M.; Boehm, M.; Doležal, P.; Mutka, H.; Koza, M. M.; Rols, S.; Adroja, D. T.; Puente Orench, I.; Rodríguez-Carvajal, J.; Javorský, P.

    2017-02-01

    CePd2Al2 -xGax compounds crystallizing in the tetragonal CaBe2Ge2 -type structure (space group P 4 /n m m ) and undergoing a structural phase transition to an orthorhombic structure (C m m e ) at low temperatures were studied by means of neutron scattering. The amplitude-modulated magnetic structure of CePd2Al2 is described by an incommensurate propagation vector k ⃗=(δx,1/2 +δy,0 ) with δx=0.06 and δy=0.04 . The magnetic moments order antiferromagnetically within the a b planes stacked along the c axis and are arranged along the direction close to the orthorhombic a axis with a maximum value of 1.5(1) μB/Ce3 +. CePd2Ga2 reveals a magnetic structure composed of two components: the first is described by the propagation vector k1⃗=(1/2 ,1/2 ,0 ) , and the second one propagates with k2⃗=(0 ,1/2 ,0 ) . The magnetic moments of both components are aligned along the same direction—the orthorhombic [100] direction—and their total amplitude varies depending on the mutual phase of magnetic moment components on each Ce site. The propagation vectors k1⃗ and k2⃗ describe also the magnetic structure of substituted CePd2Al2 -xGax compounds, except the one with x =0.1 .CePd2Al1.9Ga0.1 with magnetic structure described by k ⃗ and k1⃗ stays on the border between pure CePd2Al2 and the rest of the series. Determined magnetic structures are compared with other Ce 112 compounds. Inelastic neutron scattering experiments disclosed three nondispersive magnetic excitations in the paramagnetic state of CePd2Al2 , while only two crystal field (CF) excitations are expected from the splitting of ground state J =5/2 of the Ce3 + ion in a tetragonal/orthorhombic point symmetry. Three magnetic excitations at 1.4, 7.8, and 15.9 meV are observed in the tetragonal phase of CePd2Al2 . A structural phase transition to an orthorhombic structure shifts the first excitation up to 3.7 meV, while the other two excitations remain at almost the same energy. The presence of an additional

  10. On the quenching of trivalent terbium luminescence by ligand low lying triplet state energy and the role of the {sup 7}F{sub 5} level: The [Tb(tta){sub 3} (H{sub 2}O){sub 2}] case

    Energy Technology Data Exchange (ETDEWEB)

    Souza, A.S., E-mail: adelmosaturnino@hotmail.com [Departamento de Química Fundamental, Universidade Federal de Pernambuco, 50670-901 Recife, PE (Brazil); Nunes, L.A. [Instituto de Física de São Carlos, Universidade de São Paulo, 13560-970 São Carlos, SP (Brazil); Felinto, M.C.F.C. [Instituto de Pesquisas Energéticas e Nucleares-IPEN, 05505-800 São Paulo, SP (Brazil); Brito, H.F. [Instituto de Química, Universidade de São Paulo, 05508-900 São Paulo, SP (Brazil); Malta, O.L. [Departamento de Química Fundamental, Universidade Federal de Pernambuco, 50670-901 Recife, PE (Brazil)

    2015-11-15

    In this work we discuss the observed Tb{sup 3+} ion luminescence quenching, due to the relative ligand low lying triplet state energy, in the [Tb(tta){sub 3} (H{sub 2}O){sub 2}] compound at low and room temperature (tta=thenoyltrifluoroacetonate). Theoretical energy transfer rates, for both multipolar and exchange mechanisms, were calculated and discussed on the basis of selection rules and energy mismatch conditions from the [Tb(tta){sub 3} (H{sub 2}O){sub 2}] emission spectra. We have concluded that the exchange mechanism by far dominates, in the present case, and that the long first excited state {sup 7}F{sub 5} lifetime (in the millisecond scale) plays a crucial role in the Tb{sup 3+} luminescence quenching. - Highlights: • The energy exchange between the ligand T{sub 1} and Tb{sup 3+5}D{sub 4} levels occur by the exchange interaction. • The Tb{sup 3+} first excited {sup 7}F{sub 5} level plays a crucial role in this process due to its long lifetime. • At room temperature the energy exchanged between the {sup 5}D{sub 4} level of the Tb{sup 3+} ion and the T{sub 1} of the ligand is lost via the intersystem crossing T{sub 1} → S{sub 0} channel.

  11. Comparative analysis of the vibrational structure of the absorption spectra of acrolein in the excited ( S 1) electronic state

    Science.gov (United States)

    Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.

    2012-04-01

    The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited ( S 1) electronic state. The ν00 trans = 25861 cm-1 values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state ( S 1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v') transition bands of the torsional vibration of the trans isomer in the Deslandres table from the ν00 trans trans origin allowed the table to be extended to high quantum numbers v'. The torsional vibration frequencies up to v' = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited ( S 1) electronic state.

  12. Dipolar Excitations of a Trapped Bose-Fermi Mixture

    Institute of Scientific and Technical Information of China (English)

    FUXiao-Wei; LIUXia-Ji; HUHui; LIShi-Qun

    2004-01-01

    We study the dipolar excitation of a trapped Bose-Fermi mixture at zero temperature, by using a scalingansatz formalism and Thomas-Fermi approximation at mean-field level. We show that both frequencies of the low-lying and high-lying modes are strongly affected by the Bose-Fermi interaction. Possible implication of our results to the recent experiment has been commented.

  13. Dipolar Excitations of a Trapped Bose-Fermi Mixture

    Institute of Scientific and Technical Information of China (English)

    FU Xiao-Wei; LIU Xia-Ji; HU Hui; LI Shi-Qun

    2004-01-01

    We study the dipolar excitation of a trapped Bose-Fermi mixture at zero temperature, by using a scaling ansatz formalism and Thomas-Fermi approximation at mean-field level. We show that both frequencies of the low-lying and high-lying modes are strongly affected by the Bose-Fermi interaction. Possible implication of our results to the recent experiment has been commented.

  14. Excitation of plasmons in Ag/Fe/W structure by spin-polarized electrons

    Energy Technology Data Exchange (ETDEWEB)

    Samarin, Sergey N.; Kostylev, Mikhail; Williams, J. F. [School of Physics, The University of Western Australia, Perth WA 6009 (Australia); Artamonov, Oleg M.; Baraban, Alexander P. [St. Petersburg State University, Faculty of Physics, St. Petersburg 199034 (Russian Federation); Guagliardo, Paul [Centre for Microscopy, Characterisation and Analysis, The University of Western Australia, Perth WA 6009 (Australia)

    2015-09-07

    Using Spin-polarized Electron-Energy Loss Spectroscopy (SPEELS), the plasmon excitations were probed in a few atomic layers thick Ag film deposited on an Fe layer or on a single crystal of W(110). The measurements were performed at two specular geometries with either a 25° or 72° angle of incidence. On a clean Fe layer (10 atomic layers thick), Stoner excitation asymmetry was observed, as expected. Deposition of a silver film on top of the Fe layer dramatically changed the asymmetry of the SPEELS spectra. The spin-effect depends on the kinematics of the scattering: angles of incidence and detection. The spin-dependence of the plasmon excitations in the silver film on the W(110) surface and on the ferromagnetic Fe film is suggested to arise from the spin-active Ag/W or Ag/Fe interfaces.

  15. Fine-structure electron-impact excitation of Ne+ and Ne2+ for low temperature astrophysical plasmas

    CERN Document Server

    Wang, Qianxia; Li, Y; Pindzola, M S; Cumbee, R; Stancil, P; McLaughlin, B; Ballance, C P

    2016-01-01

    Collision strengths for electron-impact of fine-structure level excitation within the ground term of Ne+ and Ne2+ are calculated using the Breit-Pauli, Intermediate Coupling Frame Transformation, and DARC R-matrix methods. Maxwellian-averaged effective collision strengths and excitation rate coefficient qij are presented for each. The application of the current calculations is to very low temperature astrophysical plasmas, thus we examine the sensitivity of the effective collision strengths down to 10 K. The use of the various theoretical methods allows us to place estimated uncertainties on the recommended effective collision strengths. We also investigate the sensitivity of the collision strengths to the resonance positions and underlying atomic structure. Good agreement is found with previous R-matrix calculations at higher temperature.

  16. Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation

    Science.gov (United States)

    Ericson, Fredric; Honarfar, Alireza; Prakash, Om; Tatsuno, Hideyuki; Fredin, Lisa A.; Handrup, Karsten; Chabera, Pavel; Gordivska, Olga; Kjær, Kasper S.; Liu, Yizhu; Schnadt, Joachim; Wärnmark, Kenneth; Sundström, Villy; Persson, Petter; Uhlig, Jens

    2017-09-01

    The electronic structure and excited state properties of a series of iron carbene photosensitizers are elucidated through a combination of X-ray absorption measurements and density functional theory calculations. The X-ray absorption spectra are discussed with regard to the unusual bonding environment in these carbene complexes, highlighting the difference between ferrous and ferric carbene complexes. The valence electronic structure of the core excited FeIII - 3d5 complex is predicted by calculating the properties of a CoIII - 3d6 carbene complex using the Z+1 approximation. Insight is gained into the potential of sigma-donating ligands as strategy to tune properties for light harvesting applications.

  17. Cross-shell excitation in two-proton knockout: Structure of $^{52}$Ca

    CERN Document Server

    Gade, A; Bazin, D; Broda, R; Brown, B A; Campbell, C M; Carpenter, M P; Cook, J M; Deacon, A N; Dinca, D C; Fornal, B; Freeman, S J; Glasmacher, T; Hansen, P G; Kay, B P; Mantica, P F; Müller, W F; Terry, J R; Tostevin, J A; Zhu, S

    2006-01-01

    The two-proton knockout reaction $^9$Be($^{54}$Ti,$^{52}$Ca$ + \\gamma$) has been studied at 72 MeV/nucleon. Besides the strong feeding of the $^{52}$Ca ground state, the only other sizeable cross section proceeds to a 3$^-$ level at 3.9 MeV. There is no measurable direct yield to the first excited 2$^+$ state at 2.6 MeV. The results illustrate the potential of such direct reactions for exploring cross-shell proton excitations in neutron-rich nuclei and confirms the doubly-magic nature of $^{52}$Ca.

  18. New localized excitations and cross-like fractal structures to the (2+1)-dimensional Broer–Kaup system

    Indian Academy of Sciences (India)

    Zitian Li

    2014-09-01

    A broad general variable separation solution with two arbitrary lower-dimensional functions of the (2+1)-dimensional Broer–Kaup (BK) equations was derived by means of a projective equation method and a variable separation hypothesis. Based on the derived variable separation excitation, some new special types of localized solutions such as oscillating solitons, instantonlike and cross-like fractal structures are revealed by selecting appropriate functions of the general variable separation solution.

  19. Spectral fluctuation and correlation structure of δ(n) statistics in the spectra of interacting trapped bosons.

    Science.gov (United States)

    Roy, Kamalika; Chakrabarti, Barnali; Kota, V K B

    2013-06-01

    It is a well-known fact that the statistical behaviors of level fluctuation and level correlation in the energy-level spectra are the most efficient tool to characterize quantum chaos in nonintegrable quantum systems. The system of interacting trapped bosons is a complex system where the low-lying energy levels are highly influenced by the level repulsion. In this case, interatomic interaction is a dominating fact with strong level correlation between distant levels. Here we numerically calculate the correlation function, number variance, and Dyson-Mehta least-square deviation for the low-lying levels for a few thousand interacting trapped bosons, and our data show good analogy with the Gaussian orthogonal ensemble (GOE) results with a signature of chaos. In the next part of our study, the energy spectrum of these low-lying levels is considered as a discrete signal and the fluctuation of the excitation energy is considered as discrete time series. Then we calculate numerically the height-height correlation function for different order of momentum. In our study logarithmic correlation structure is found instead of multiscaling structure, and we observe that spectral statistics are compatible with those of GOE.

  20. Etude numerique et experimentale de la reponse vibro-acoustique des structures raidies a des excitations aeriennes et solidiennes

    Science.gov (United States)

    Mejdi, Abderrazak

    Les fuselages des avions sont generalement en aluminium ou en composite renforces par des raidisseurs longitudinaux (lisses) et transversaux (cadres). Les raidisseurs peuvent etre metalliques ou en composite. Durant leurs differentes phases de vol, les structures d'avions sont soumises a des excitations aeriennes (couche limite turbulente : TBL, champs diffus : DAF) sur la peau exterieure dont l'energie acoustique produite se transmet a l'interieur de la cabine. Les moteurs, montes sur la structure, produisent une excitation solidienne significative. Ce projet a pour objectifs de developper et de mettre en place des strategies de modelisations des fuselages d'avions soumises a des excitations aeriennes et solidiennes. Tous d'abord, une mise a jour des modeles existants de la TBL apparait dans le deuxieme chapitre afin de mieux les classer. Les proprietes de la reponse vibro-acoustique des structures planes finies et infinies sont analysees. Dans le troisieme chapitre, les hypotheses sur lesquelles sont bases les modeles existants concernant les structures metalliques orthogonalement raidies soumises a des excitations mecaniques, DAF et TBL sont reexamines en premier lieu. Ensuite, une modelisation fine et fiable de ces structures est developpee. Le modele est valide numeriquement a l'aide des methodes des elements finis (FEM) et de frontiere (BEM). Des tests de validations experimentales sont realises sur des panneaux d'avions fournis par des societes aeronautiques. Au quatrieme chapitre, une extension vers les structures composites renforcees par des raidisseurs aussi en composites et de formes complexes est etablie. Un modele analytique simple est egalement implemente et valide numeriquement. Au cinquieme chapitre, la modelisation des structures raidies periodiques en composites est beaucoup plus raffinee par la prise en compte des effets de couplage des deplacements planes et transversaux. L'effet de taille des structures finies periodiques est egalement pris en

  1. A comparative study of the spectroscopic features of the low-lying electronic states of H2F+ and H2Cl+ ions

    Indian Academy of Sciences (India)

    Anjan Chattopadhyay

    2010-03-01

    Configuration interaction studies of H2F+ and H2Cl+ ions, using 6-311G (3, 3) basis sets, have revealed several interesting differences in their spectral behaviour. Both of them are having bent ground state (1A1) equilibrium geometries, but there is a huge difference (∼ 1.93 eV) between their energy barrier to linearity. Their first two excited states are found to be linear 3u and 1u states, correlating to 3B1/3A1 and 1B1/1A1 Renner-Teller pairs, respectively, in the C2v symmetry. Considering only the allowed singlet-singlet transitions at the ground state equilibrium geometry, the lowest energy transitions found to have transition moment values of 0.65 D and 0.48 D for H2F+and H2Cl+, respectively, appearing in the far UV region. Conical intersections take place during the symmetrical stretching of two H-Cl bonds in the chloronium ion for the first two pairs of excited states (11A2/11B1 and 11A2/11B1) in the C2v symmetry. This intersection may initiate pre-dissociation from the upper bound adiabatic 1A″ state to the lower repulsive 1A" state in the Cs symmetry. Fluoronium ion is expected to dissociate via a single electronic state due to the absence of such intersection.

  2. Rapid excited state structural reorganization captured by pulsed x-rays.

    Energy Technology Data Exchange (ETDEWEB)

    Chen, L. X.; Jennings, G.; Liu, T.; Gosztola, D. J.; Hessler, J. P.; Scaltrito, D. V.; Meyer, G. J.; Johns Hopkins Univ.

    2002-09-11

    Visible light excitation of [CuI(dmp)2](BArF), where dmp is 2,9-dimethyl-1,10-phenanthroline and BArF is tetrakis(3,5-bis(trifluoromethylphenyl))borate, in toluene produces a photoluminescent, metal-to-ligand charge-transfer (MLCT) excited state with a lifetime of 98 {+-} 5 ns. Probing this state within 14 ns after photoexcitation with pulsed X-rays establishes that a CuII center, borne in a CuI geometry, binds an additional ligand to form a five-coordinate complex with increased bond lengths and a coordination geometry of distorted trigonal bipyramid. The average Cu-N bond length increases in the excited state by 0.07 Angstroms. The transiently formed five-coordinate MLCT state is photoluminescent under the condition studied, indicating that the absorptive and emissive states have distinct geometries. The data represent the first X-ray characterization of a molecular excited state in fluid solution on a nanosecond time scale.

  3. SEDIGISM: Structure, excitation, and dynamics of the inner Galactic interstellar medium

    Science.gov (United States)

    Schuller, F.; Csengeri, T.; Urquhart, J. S.; Duarte-Cabral, A.; Barnes, P. J.; Giannetti, A.; Hernandez, A. K.; Leurini, S.; Mattern, M.; Medina, S.-N. X.; Agurto, C.; Azagra, F.; Anderson, L. D.; Beltrán, M. T.; Beuther, H.; Bontemps, S.; Bronfman, L.; Dobbs, C. L.; Dumke, M.; Finger, R.; Ginsburg, A.; Gonzalez, E.; Henning, T.; Kauffmann, J.; Mac-Auliffe, F.; Menten, K. M.; Montenegro-Montes, F. M.; Moore, T. J. T.; Muller, E.; Parra, R.; Perez-Beaupuits, J.-P.; Pettitt, A.; Russeil, D.; Sánchez-Monge, Á.; Schilke, P.; Schisano, E.; Suri, S.; Testi, L.; Torstensson, K.; Venegas, P.; Wang, K.; Wienen, M.; Wyrowski, F.; Zavagno, A.

    2017-05-01

    Context. The origin and life-cycle of molecular clouds are still poorly constrained, despite their importance for understanding the evolution of the interstellar medium. Many large-scale surveys of the Galactic plane have been conducted recently, allowing for rapid progress in this field. Nevertheless, a sub-arcminute resolution global view of the large-scale distribution of molecular gas, from the diffuse medium to dense clouds and clumps, and of their relationshipto the spiral structure, is still missing. Aims: We have carried out a systematic, homogeneous, spectroscopic survey of the inner Galactic plane, in order to complement the many continuum Galactic surveys available with crucial distance and gas-kinematic information. Our aim is to combine this data set with recent infrared to sub-millimetre surveys at similar angular resolutions. Methods: The SEDIGISM survey covers 78 deg2 of the inner Galaxy (-60°≤ℓ≤ 18°, |b|≤ 0.5°) in the J = 2-1 rotational transition of 13CO. This isotopologue of CO is less abundant than 12CO by factors up to 100. Therefore, its emission has low to moderate optical depths, and higher critical density, making it an ideal tracer of the cold, dense interstellar medium. The data have been observed with the SHFI single-pixel instrument at APEX. The observational setup covers the 13CO(2-1) and C18O(2-1) lines, plus several transitions from other molecules. Results: The observations have been completed. Data reduction is in progress, and the final data products will be made available in the near future. Here we give a detailed description of the survey and the dedicated data reduction pipeline. To illustrate the scientific potential of this survey, preliminary results based on a science demonstration field covering -20°≤ℓ ≤ -18.5° are presented. Analysis of the 13CO(2-1) data in this field reveals compact clumps, diffuse clouds, and filamentary structures at a range of heliocentric distances. By combining our data with

  4. Influence of ligand substitution on excited state structural dynamics in Cu(I) bis-phenanthroline complexes.

    Energy Technology Data Exchange (ETDEWEB)

    Lockard, J. V.; Kabehie, S.; Zink, J. I.; Smolentsev, G.; Soldatov, A.; Chen, L. X. (Chemical Sciences and Engineering Division); (Northwestern Univ.); (Univ. of California at Los Angeles); (Southern Federal Univ.); (Lund Univ.)

    2010-01-01

    This study explores the influences of steric hindrance and excited state solvent ligation on the excited state dynamics of Cu{sup I} diimine complexes. Ultrafast excited state dynamics of Cu(I)bis(3,8-di(ethynyltrityl)-1,10-phenanthroline) [Cu{sup I}(detp){sub 2}]{sup +} are measured using femtosecond transient absorption spectroscopy. The steady state electronic absorption spectra and measured lifetimes are compared to those of Cu(I)bis(1,10-phenanthroline), [Cu{sup I}(phen){sub 2}]{sup +}, and Cu(I)bis(2-9-dimethyl-1,10-phenanthroline), [Cu{sup I}(dmp){sub 2}]{sup +}, model complexes to determine the influence of different substitution patterns of the phenanthroline ligand on the structural dynamics associated with the metal to ligand charge transfer excited states. Similarities between the [Cu{sup I}(detp){sub 2}]{sup +} and [Cu{sup I}(phen){sub 2}]{sup +} excited state lifetimes were observed in both coordinating and noncoordinating solvents and attributed to the lack of steric hindrance from substitution at the 2- and 9-positions. The solution-phase X-ray absorption spectra of [Cu{sup I}(detp){sub 2}]{sup +}, [Cu{sup I}(phen){sub 2}]{sup +}, and [Cu{sup I}(dmp){sub 2}]{sup +} are reported along with finite difference method calculations that are used to determine the degree of ground state dihedral angle distortion in solution and to account for the pre-edge features observed in the XANES region.

  5. In-beam gamma-ray spectroscopy of sup 1 sup 9 sup 0 Po: First observation of a low-lying prolate band in Po isotopes

    CERN Document Server

    Van De Vel, K; Andreyev, A N; Page, R D; Kettunen, H; Greenlees, P T; Jones, P; Julin, R; Juutinen, S; Kankaanpaeae, H; Keenan, A; Kuusiniemi, P; Leino, M; Muikku, M; Nieminen, P; Rahkila, P; Uusitalo, J; Eskola, Kari J; Hürstel, A; Le Coz, Y L; Smith, M B; Van Duppen, P; Wyss, R

    2003-01-01

    Gamma rays from excited states of sup 1 sup 9 sup 0 Po have been observed using the Jurosphere Ge-detector array coupled to the RITU gas-filled separator. They were associated with a collective band which from spin 4 Planck constant onwards resembles the prolate rotational bands known in the isotones sup 1 sup 8 sup 8 Pb and sup 1 sup 8 sup 6 Hg. This indicates that in sup 1 sup 9 sup 0 Po the prolate configuration becomes yrast above I=2 Planck constant. The experimental results are interpreted in a two-band mixing calculation and are in agreement with alpha-decay data and potential energy surface calculations. (orig.)

  6. [Numerical Simulation of Propagation of Electric Excitation in the Heart Wall Taking into Account Its Fibrous-Laminar Structure].

    Science.gov (United States)

    Vasserman, I N; Matveenko, V P; Shardakov, I N; Shestakov, A P

    2015-01-01

    The propagation of excitation wave in the inhomogeneous anisotropic finite element model of cardiac muscle is investigated. In this model, the inhomogeneity stands for the rotation of anisotropy axes through the wall thickness and results from a fibrous-laminar structure of the cardiac muscle tissue. Conductivity of the cardiac muscle is described using a monodomain model and the Aliev-Panfilov equations are used as the relationships between the transmembrane current and transmembrane potential. Numerical simulation is performed by applying the splitting algorithm, in which the partial differential solution to the nonlinear boundary value problem is reduced to a sequence of simple ordinary differential equations and linear partial differential equations. The simulation is carried out for a rectangular block of the cardiac tissue, the minimal size of which is considered to be the thickness of the heart wall. Two types of distribution of the fiber orientation angle are discussed. The first case corresponds 'to the left ventricle of a dog. The endocardium and epicardium fibers are generally oriented in the meridional direction. The angle of fiber orientation varies smoothly through the wall thickness making a half-turn. A circular layer, in which the fibers are oriented in the circumferential direction locates deep in the cardiac wall. The results of calculations show that for this case the wave form strongly depends on a place of initial excitation. For the endocardial and epicardial initial excitation one can see the earlier wave front propagation in the endocardium and epicardium, respectively. At the intramural initial excitation the simultaneous wave front propagation in the endocardium and epicardium occurs, but there is a wave front lag in the middle of the wall. The second case refers to the right ventricle of a swine, in which the endocardium and epicardium fibers are typically oriented in the circumferential direction, whereas the subepicardium fibers

  7. Excited-state structural dynamics of a dual-emission calmodulin-green fluorescent protein sensor for calcium ion imaging

    Science.gov (United States)

    Oscar, Breland G.; Liu, Weimin; Zhao, Yongxin; Tang, Longteng; Wang, Yanli; Campbell, Robert E.; Fang, Chong

    2014-01-01

    Fluorescent proteins (FPs) have played a pivotal role in bioimaging and advancing biomedicine. The versatile fluorescence from engineered, genetically encodable FP variants greatly enhances cellular imaging capabilities, which are dictated by excited-state structural dynamics of the embedded chromophore inside the protein pocket. Visualization of the molecular choreography of the photoexcited chromophore requires a spectroscopic technique capable of resolving atomic motions on the intrinsic timescale of femtosecond to picosecond. We use femtosecond stimulated Raman spectroscopy to study the excited-state conformational dynamics of a recently developed FP-calmodulin biosensor, GEM-GECO1, for calcium ion (Ca2+) sensing. This study reveals that, in the absence of Ca2+, the dominant skeletal motion is a ∼170 cm−1 phenol-ring in-plane rocking that facilitates excited-state proton transfer (ESPT) with a time constant of ∼30 ps (6 times slower than wild-type GFP) to reach the green fluorescent state. The functional relevance of the motion is corroborated by molecular dynamics simulations. Upon Ca2+ binding, this in-plane rocking motion diminishes, and blue emission from a trapped photoexcited neutral chromophore dominates because ESPT is inhibited. Fluorescence properties of site-specific protein mutants lend further support to functional roles of key residues including proline 377 in modulating the H-bonding network and fluorescence outcome. These crucial structural dynamics insights will aid rational design in bioengineering to generate versatile, robust, and more sensitive optical sensors to detect Ca2+ in physiologically relevant environments. PMID:24987121

  8. Vacuum structure, spectrum of excitements and low-energy phenomenology in chiral preon-subpreon model of elementary particles

    CERN Document Server

    Evnin, O E

    1997-01-01

    Inner and empirically consistent model of elementary particles, including two matter structural levels beyond the quark one is built. Excitements spectra, masses and interactions are analysed using the phenomenological notion of non-pertubative vacuum condensate. Essential low-energy predictions of developed concepts are classified. Effective gauge U(1)xU(1)xSU(2)-theory of quark-lepton excitements behavior based on the performed analysis of preon-subpreon phenomenology is consistently built. The ability of its expansion with fermions and scalar leptoquark coupling is also considered. Shown that the coupling constants family hierarchy is the same as family hierarchy of quark masses. Using the built theory cross-sections of d-quark-positron scattering processes with both charged and neutral currents are calculated. The obtained resonance peak is proposed to be a possible explanation of deviating from Standard Model predictions discovered in DESY in the beginning of 1997 year.

  9. Constrained Excited-State Structure in Molecular Crystals by Means of the QM/MM Approach: Toward the Prediction of Photocrystallographic Results

    DEFF Research Database (Denmark)

    Kaminski, Radoslaw; Schmøkel, Mette Stokkebro; Coppens, Philip

    2010-01-01

    The QM/MM method is applied to predict the excited triplet structure of a molecule embedded in a crystal. In agreement with experimental observation, it is found that conformation changes on excitation are severely restricted compared with geometry changes predicted for the isolated molecule. The...

  10. Acoustic excitation of diffusion flames with coherent structure in a plane shear layer.; Effects of acoustic excitation on combustion properties; Soshiki kozo wo tomonau sendan kakusan kaen no onkyo reiki.; Onkyo reiki ni yoru nensho tokusei no henka

    Energy Technology Data Exchange (ETDEWEB)

    Ishino, Y.; Kojima, T.; Oiwa, N.; Yamaguchi, S. [Nagoya Institute of Technology, Nagoya (Japan)

    1993-10-25

    This paper reports on experiments for acoustic excitation of plane shear structured flame. Flows of air separated into the higher velocity side and the lower velocity side by a partition on the center of a flow path merge at the measuring point to form a mixed layer with coherent structure. Fuel is supplied to this mixed layer with the flows so adjusted that the generated flame will attach to the partition on the lower velocity side. Acoustic excitation (at a sound pressure level of 100 dB to 120 dB) is performed in a speaker fitted on a wall on the higher velocity side. The paper mentions the results of the experiments as follows: the acoustic excitation produces such changes to diffusion flame in the plane shear layer as shorter flame and blue flame combustion and clarification of flame structures; as seen from spectral characteristics of temperature change in the flames, a flame acoustically excited strongly presents remarkable improvements in periodicity of the structure; as seen from sound pressure distribution in the flow direction at the measuring point, the flame zone of the flame acoustically excited strongly is positioned at the middle of the node and loop of a standing wave. 6 refs., 9 figs., 1 tab.

  11. Induced structural defects in Ti-doped ZnO and its two-photon-excitation

    Science.gov (United States)

    Martínez Julca, Milton A.; Rivera, Ivonnemary; Santillan Mercado, Jaime; Sierra, Heidy; Perales-Pérez, Oscar

    2016-03-01

    ZnO is a well-known luminescent material that reacts with light to generate free radicals enabling its use in cancer treatment by Photodynamic Therapy (PDT). Unfortunately, up to know, the photo-excitation of ZnO-based materials' requires excitation with ultraviolet light, which limits their biomedical applications. In this regard, this work investigates the effect of Ti species incorporation into the lattice of ZnO nanoparticles (NPs) with the aim of improving the corresponding optical properties and enabling the two-photoexcitation with 690nm-light (near infrared light). A modified polyol-based route was used to synthesize pure and Ti-doped (9% at.) ZnO NPs. X-ray diffraction confirmed the formation of ZnO-wurtzite whereas Scanning Electron Microscopy confirmed the formation of monodispersed 100-nm NPs. Raman Spectroscopy measurements evidenced the presence of zinc interstitials (Zni) and oxygen vacancies (VO) in the host oxide strcuture. Asynthesized NPs were excited using the technique of two-photon fluorescence microscopy (TPFM). The photoluminescence (PL) spectra generated from the analysis of TPFM images revealed a high emission peak presence in the green region (555 nm) that was assigned to VO. Also, a weak but noticeable band at 420 nm was detected, which is attributed to electron transition from the shallow donor level of Zni to the valence band. These PL transitions will favor triplet states formation necessary to yield cytotoxic reactive oxygen species. Furthermore, the presence of the PL peaks confirmed the Ti-ZnO NPs capacity to be excited by 690-nm light, thus, opening new possibilities for this NPs to be used in lightinduced bio-medical applications.

  12. Wobbling phonon excitations, coexisting with normal deformed structures in sup 1 sup 6 sup 3 Lu

    CERN Document Server

    Jensen, D R; Hamamoto, I; Oedegard, S W; Bergström, M H; Herskind, B; Sletten, G; Toermaenen, S; Wilson, J N; Tjøm, P O; Spohr, K; Hübel, H; Görgen, A; Schoenwasser, G; Bracco, A; Leoni, S; Maj, A; Petrache, C M; Bednarczyk, P; Curien, D

    2002-01-01

    Wobbling is a rotational mode unique to a triaxial body. The Lu-Hf isotopes with N approx 94 at high spin provide a possible region of nuclei with pronounced triaxiality. We have investigated sup 1 sup 6 sup 3 Lu through the fusion-evaporation reaction sup 1 sup 3 sup 9 La( sup 2 sup 9 Si,5n) sup 1 sup 6 sup 3 Lu with a beam energy of 152 MeV. Three excited bands decaying into the known, presumably triaxial, superdeformed (TSD) band built on the i sub 1 sub 3 sub / sub 2 proton orbital are observed. The electromagnetic properties of the connecting transitions from the two strongest populated excited TSD bands have been investigated. New particle-rotor calculations in which one i sub 1 sub 3 sub / sub 2 quasiproton is coupled to the core of triaxial shape produce a variety of bands, whose properties can clearly be interpreted either as 'wobbling' or 'cranking' motion of the core. Evidence for the assignment of the excited TSD bands as one, and possibly even two wobbling phonon modes built on the yrast TSD band...

  13. Short-range ordered photonic structures of lamellae-forming diblock copolymers for excitation-regulated fluorescence enhancement

    Science.gov (United States)

    Kim, Se Hee; Kim, Ki-Se; Char, Kookheon; Yoo, Seong Il; Sohn, Byeong-Hyeok

    2016-05-01

    Photonic crystals can be represented by periodic nanostructures with alternating refractive indices, which create artificial stop bands with the appearance of colors. In this regard, nanodomains of block copolymers and the corresponding structural colors have been intensively studied in the past. However, the practical application of photonic crystals of block copolymers has been limited to a large degree because of the presence of large defects and grain boundaries in the nanodomains of block copolymers. The present study focuses on the alternative opportunity of short-range ordered nanodomains of block copolymers for fluorescence enhancement, which also has a direct relevance to the development of fluorescence sensors or detectors. The enhancement mechanism was found to be interconnected with the excitation process rather than the alternation of the decay kinetics. In particular, we demonstrate that randomly oriented, but regular grains of lamellae of polystyrene-block-polyisoprene, PS-b-PI, diblock copolymers and their blend with PS homopolymers can behave as Bragg mirrors to induce multiple reflections of the excitation source inside the photonic structures. This process in turn significantly increases the effective absorption of the given fluorophores inside the polymeric photonic structures to amplify the fluorescence signal.Photonic crystals can be represented by periodic nanostructures with alternating refractive indices, which create artificial stop bands with the appearance of colors. In this regard, nanodomains of block copolymers and the corresponding structural colors have been intensively studied in the past. However, the practical application of photonic crystals of block copolymers has been limited to a large degree because of the presence of large defects and grain boundaries in the nanodomains of block copolymers. The present study focuses on the alternative opportunity of short-range ordered nanodomains of block copolymers for fluorescence

  14. Photoactivated excited states of DNA repair photolyase: Dynamical and semiempircal identification

    Science.gov (United States)

    Zheng, Xuehe; Ly, Ngan M.; Stuchebrukhov, Alexei A.

    DNA damage caused by UV light radiation is often naturally repaired in a process initiated by excited state electron transfer from the photoactivated photolyase enzyme to the DNA cyclobutane pyrimidine dimer lesion. The active cofactor in the excited state electron transfer in the photolyase is the two-electron fully reduced form of the flavin adenine dinucleotide (FADH-). To calculate electron tunneling matrix element and model the DNA binding with photolyase, the LUMO of the FADH- calculated using extended Huckel method was previously chosen from the SCF wavefunctions. Recently, the DNA-photolyase complex was crystallized in its bound form, in good agreement with our previous model in even minute details at the active site. Here we carry out molecular dynamics simulation of the entire complex using the new experimental structure of Anacystis nidulans and identify the low-lying photoactivated states of the enzyme for the dynamical confirmations. Our results from ZINDO/S CIS calculations are compared with experimental UV spectra, and their implications for excited state electron transfer and energy transfer are discussed.0

  15. Systematic study of the fragmentation of low-lying dipole strength in odd-{ital A} rare earth nuclei investigated in nuclear resonance fluorescence experiments

    Energy Technology Data Exchange (ETDEWEB)

    Nord, A.; Schiller, A.; Eckert, T.; Beck, O.; Besserer, J.; von Brentano, P.; Fischer, R.; Herzberg, R.; Jaeger, D.; Kneissl, U.; Margraf, J.; Maser, H.; Pietralla, N.; Pitz, H.H.; Rittner, M.; Zilges, A. [Institut fuer Strahlenphysik, Universitaet Stuttgart, Allmandring 3, D-70569 Stuttgart (Germany)]|[Institut fuer Kernphysik, Universitaet zu Koeln, Zuelpicher Strasse 77, D-50937 Koeln (Germany)

    1996-11-01

    Nuclear resonance fluorescence experiments were performed on the rare earth nuclei {sup 155}Gd and {sup 159}Tb to study the fragmentation of the {ital M}1 {ital scissors} {ital mode} in {ital odd} deformed nuclei and to establish a kind of systematics. Using the bremsstrahlung photon beam of the Stuttgart Dynamitron (end point energy 4.1 MeV) and high resolution Ge-{gamma} spectrometers detailed information was obtained on excitation energies, decay widths, transition probabilities, and branching ratios. The results are compared to those observed recently for the neighboring odd nuclei {sup 161,163}Dy and {sup 157}Gd. Whereas in the odd Dy isotopes the dipole strength is rather concentrated, both Gd isotopes show a strong fragmentation of the strength into about 25 ({sup 155}Gd) and 90 transitions ({sup 157}Gd) in the energy range 2{endash}4 MeV. The nucleus {sup 159}Tb linking the odd Dy and Gd isotopes exhibits an intermediate strength fragmentation. In general the observed total strength in the odd nuclei is reduced by a factor of 2{endash}3 as compared to their neighboring even-even isotopes. The different fragmentation behavior of the dipole strengths in the odd Dy and Gd isotopes is unexplained up to now. {copyright} {ital 1996 The American Physical Society.}

  16. Systematic study of the fragmentation of low-lying dipole strength in odd-A rare earth nuclei investigated in nuclear resonance fluorescence experiments

    Science.gov (United States)

    Nord, A.; Schiller, A.; Eckert, T.; Beck, O.; Besserer, J.; von Brentano, P.; Fischer, R.; Herzberg, R.-D.; Jäger, D.; Kneissl, U.; Margraf, J.; Maser, H.; Pietralla, N.; Pitz, H. H.; Rittner, M.; Zilges, A.

    1996-11-01

    Nuclear resonance fluorescence experiments were performed on the rare earth nuclei 155Gd and 159Tb to study the fragmentation of the M1 scissors mode in odd deformed nuclei and to establish a kind of systematics. Using the bremsstrahlung photon beam of the Stuttgart Dynamitron (end point energy 4.1 MeV) and high resolution Ge-γ spectrometers detailed information was obtained on excitation energies, decay widths, transition probabilities, and branching ratios. The results are compared to those observed recently for the neighboring odd nuclei 161,163Dy and 157Gd. Whereas in the odd Dy isotopes the dipole strength is rather concentrated, both Gd isotopes show a strong fragmentation of the strength into about 25 (155Gd) and 90 transitions (157Gd) in the energy range 2-4 MeV. The nucleus 159Tb linking the odd Dy and Gd isotopes exhibits an intermediate strength fragmentation. In general the observed total strength in the odd nuclei is reduced by a factor of 2-3 as compared to their neighboring even-even isotopes. The different fragmentation behavior of the dipole strengths in the odd Dy and Gd isotopes is unexplained up to now.

  17. Existence of six-$\\alpha$ linear structure

    CERN Document Server

    Iwata, Yoritaka; Itagaki, Naoyuki; Maruhn, Joachim A; Otsuka, Takaharu

    2014-01-01

    The stable existence of a six-$\\alpha$ linear structure in highly excited states of $^{24}$Mg is studied based on a systematic Cranked Hartree-Fock calculation with various Skyrme-type interactions. Its stability is examined by allowing the transition of the cluster structure to the shell-model like structure. Especially, the six-$\\alpha$ linear state is exposed to two major instabilities: the bending motion, which is the main path for the transition to low-lying states, and the spin-orbit interaction, which is the driving force to break the $\\alpha$ clusters and enhance the independent motion of the nucleons. The linear structure with large angular momentum is obtained as a meta-stable stationary state.

  18. Shape coexistence in krypton and selenium light isotopes studied through Coulomb excitation of radioactive ions beams; Etude de la coexistence de formes dans les isotopes legers du krypton et du selenium par excitation Coulombienne de faisceaux radioactifs

    Energy Technology Data Exchange (ETDEWEB)

    Clement, E

    2006-06-15

    The light krypton isotopes show two minima in their potential energy corresponding to elongated (prolate) and compressed (oblate) quadrupole deformation. Both configuration are almost equally bound and occur within an energy range of less than 1 MeV. Such phenomenon is called shape coexistence. An inversion of the ground state deformation from prolate in Kr{sup 78} to oblate in Kr{sup 72} with strong mixing of the configurations in Kr{sup 74} and Kr{sup 76} was proposed based on the systematic of isotopic chain. Coulomb excitation experiments are sensitive to the quadrupole moment. Coulomb excitation experiments of radioactive Kr{sup 74} and Kr{sup 76} beam were performed at GANIL using the SPIRAL facility and the EXOGAM spectrometer. The analysis of these experiments resulted in a complete description of the transition strength and quadrupole moments of the low-lying states. They establish the prolate character of the ground state and an oblate excited state. A complementary lifetime measurement using a 'plunger' device was also performed. Transition strength in neighboring nuclei were measured using the technique of intermediate energy Coulomb excitation at GANIL. The results on the Se{sup 68} nucleus show a sharp change in structure with respects to heavier neighboring nuclei. (author)

  19. A continuum approximation for the excitations of the (1,1,...,1 interface in the quantum Heisenberg model

    Directory of Open Access Journals (Sweden)

    Oscar Bolina

    2000-07-01

    Full Text Available It is shown that, with an appropriate scaling, the energy of low-lying excitations of the (1, 1,...,1 interface in the d-dimensional quantum Heisenberg model are given by the spectrum of the (d-1-dimensional Laplacian on a suitable domain.

  20. Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

    KAUST Repository

    Zhang, J.-Y.

    2013-04-05

    Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.