Sample records for calculations deduced gamow-teller

  1. Investigation of Gamow Teller transition properties in 56-64Ni isotopes using QRPA methods

    NASA Astrophysics Data System (ADS)

    Cakmak, Sadiye; Nabi, Jameel-Un; Babacan, Tahsin

    2018-02-01

    Weak rates in nickel isotopes play an integral role in the dynamics of supernovae. Electron capture and β-decay of nickel isotopes, dictated by Gamow-Teller transitions, significantly alter the lepton fraction of the stellar matter. In this paper we calculate Gamow-Teller (GT) transitions for isotopes of nickel, Ni6456-, using QRPA methods. The GT strength distributions were calculated using four different QRPA models. Our results are also compared with previous theoretical calculations and measured strength distributions wherever available. Our investigation concluded that amongst all RPA models, the pn-QRPA(C) model best described the measured GT distributions (including total GT strength and centroid placement). It is hoped that the current investigation of GT properties would prove handy and may lead to a better understanding of the presupernova evolution of massive stars.

  2. Gamow-Teller Strength in the Continuum Studied via the (p,n) Reaction

    NASA Astrophysics Data System (ADS)

    Wakasa, T.; Hatanaka, K.; Sakai, H.; Fujita, S.; Nonaka, T.; Ohnishi, T.; Yako, K.; Sekiguchi, K.; Okamura, H.; Otsu, H.; Ishida, S.; Sakamoto, N.; Uesaka, T.; Satou, Y.; Greenfield, M. B.

    2002-09-01

    The double differential cross sections for θ1ab between 0.0° and 14.7° and the polarization transfer coefficient DNN(0°) for the 27 Al(vec {p},vec {n}) reaction have been measured at a bombarding energy of 295 MeV. A multipole decomposition technique is applied for the cross section data to extract L = 0, 1, 2, and 3 contributions. The Gamow-Teller (GT) strength B(GT) deduced from the L = 0 contribution is compared with the B(GT) values calculated in a full sd shell-model space. The sum of B(GT) values up to 20 MeV excitation is Sβ- = 4.0 ± 0.1 ± 0.1. A fairly large L = 0 contribution is observed in the continuum region up to 50 MeV, which could be in part ascribed to the quenched GT strength. A limit on the effect that the Δ(1232)-isobar nucleon-hole admixture has upon the GT strength is estimated.

  3. Systematic shell-model study of β -decay properties and Gamow-Teller strength distributions in A ≈40 neutron-rich nuclei

    NASA Astrophysics Data System (ADS)

    Yoshida, Sota; Utsuno, Yutaka; Shimizu, Noritaka; Otsuka, Takaharu

    2018-05-01

    We perform large-scale shell-model calculations of β -decay properties for neutron-rich nuclei with 13 ≤Z ≤18 and 22 ≤N ≤34 , taking the first-forbidden transitions into account. The natural-parity and unnatural-parity states are calculated in the 0 ℏ ω and 1 ℏ ω model spaces, respectively, within the full s d +p f +s d g valence shell. The calculated β -decay half-lives and β -delayed neutron emission probabilities show good agreement with the experimental data. The first-forbidden transitions make a non-negligible contribution to the half-lives of N ≳28 nuclei. The low-lying Gamow-Teller strengths of even-even nuclei are considerably larger than those of the neighboring odd-A and odd-odd nuclei, strongly affecting the half-lives and neutron emission probabilities. It is shown that this even-odd effect is caused by the Jπ=1+ proton-neutron pairing interaction. We derive a formula to represent the positions of the Gamow-Teller giant resonances from the calculated strength distributions.

  4. High-resolution study of Gamow-Teller excitations in the 42Ca(3He,t )42Sc reaction and the observation of a "low-energy super-Gamow-Teller state"

    NASA Astrophysics Data System (ADS)

    Fujita, Y.; Fujita, H.; Adachi, T.; Susoy, G.; Algora, A.; Bai, C. L.; Colò, G.; Csatlós, M.; Deaven, J. M.; Estevez-Aguado, E.; Guess, C. J.; Gulyás, J.; Hatanaka, K.; Hirota, K.; Honma, M.; Ishikawa, D.; Krasznahorkay, A.; Matsubara, H.; Meharchand, R.; Molina, F.; Nakada, H.; Okamura, H.; Ong, H. J.; Otsuka, T.; Perdikakis, G.; Rubio, B.; Sagawa, H.; Sarriguren, P.; Scholl, C.; Shimbara, Y.; Stephenson, E. J.; Suzuki, T.; Tamii, A.; Thies, J. H.; Yoshida, K.; Zegers, R. G. T.; Zenihiro, J.

    2015-06-01

    To study the Gamow-Teller (GT) transitions from the Tz=+1 nucleus 42Ca to the Tz=0 nucleus 42Sc, where Tz is the z component of isospin T , we performed a (p ,n )-type (3He,t ) charge-exchange reaction at 140 MeV/nucleon and scattering angles around 0∘. With an energy resolution of 29 keV, states excited by GT transitions (GT states) could be studied accurately. The reduced GT transition strengths B (GT) were derived up to the excitation energy of 13 MeV, assuming the proportionality between the cross sections at 0∘ and B (GT) values. The main part of the observed GT transition strength is concentrated in the lowest 0.611-MeV, Jπ=1+ GT state. All the other states at higher energies are weakly excited. Shell-model calculations could reproduce the gross feature of the experimental B (GT) distribution, and random-phase-approximation calculations including an attractive isoscalar interaction showed that the 0.611-MeV state has a collective nature. It was found that this state has all of the properties of a "low-energy super-Gamow-Teller state." It is expected that low-lying Jπ=1+ GT states have T =0 in the Tz=0 nucleus 42Sc. However, T =1 states are situated in a higher energy region. Assuming an isospin-analogous structure in A =42 isobars, analogous T =1 , 1+ states are also expected in 42Ca. Comparing the (3He 42,tCa) 42Sc and 42Ca(p ,p') spectra measured at 0∘, candidates for T =1 GT states could be found in the 10 -12 -MeV region of 42Sc. They were all weakly excited. The mass dependence of the GT strength distributions in Sc isotopes is also discussed.

  5. Gamow-Teller strength observed in the 48Ti(n, p) 48Sc reaction: Implications for the double beta decay of 48Ca

    NASA Astrophysics Data System (ADS)

    Alford, W. P.; Helmer, R. L.; Abegg, R.; Celler, A.; Frekers, D.; Green, P.; Häusser, O.; Henderson, R.; Hicks, K.; Jackson, K. P.; Jeppesen, R.; Miller, C. A.; Trudel, A.; Vetterli, M.; Yen, S.; Pourang, R.; Watson, J.; Brown, B. A.; Engel, J.

    1990-07-01

    Cross sections for the 48Ti(n, p) reaction have been measured at angles of 0°, 6°, and 12° at an energy of 200 MeV. The measurements are compared with results of DWIA calculations to obtain estimates of transition strengths for L = 0, 1, and ⩾2 up to an excitation energy of 25 MeV. Gamow-Teller strength ( L = 0) is peaked between 3 and 4 MeV excitation energy, with a significant distribution extending to about 12 MeV. The L = 1 strength is found mainly between 6 and 20 MeV while the cross section for transitions with L ⩾2 increases from 10 MeV to the upper limit of the measurements. The distribution of Gamow-Teller strength is in poor agreement with theoretical distributions used to calculate the lifetime for double beta decay of 48Ca.

  6. The giant Gamow-Teller resonance states

    NASA Astrophysics Data System (ADS)

    Suzuki, Toshio

    1982-04-01

    The mean energy of the giant Gamow-Teller resonance state (GTS) is studied, which is defined by the non-energy-weighted and the linearly energy-weighted sum of the strengths for ΣAi = 1 τi- σi- Using Bohr and Mottelson's hamiltonian with the ξl· σ force, the difference between the mean energies of GTS and the isobaric analog state (IAS) is expressed as E GTS -E IAS,≈ 2<π¦Σ Ai=1ξ il i· σ i¦π>/ (3T 0-4(k τ-k στ) T 0. The observed energy systematics is well explained by kτ- kστ≈ 4/ A MeV . The relationship between the mean energies and the excitation energies of the collective states in the random phase approximation for charge-exchange excitations is discussed in a simple model. From the excitation energy systematics of GTS, the values of kστ and the Migdal parameter g' are estimated to be about k στ = {(16-24)}/{A}MeV and g' = 0.49-0.72 , respectively.

  7. Impact of New Gamow-Teller Strengths on Explosive Type Ia Supernova Nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka; Suzuki, Toshio; Hidaka, Jun; Honma, Michio; Iwamoto, Koichi; Nomoto, Ken'ichi; Otsuka, Takaharu

    2016-12-01

    Recent experimental results have confirmed a possible reduction in the Gamow-Teller (GT+) strengths of pf-shell nuclei. These proton-rich nuclei are of relevance in the deflagration and explosive burning phases of SNe Ia. While prior GT strengths result in nucleosynthesis predictions with a lower-than-expected electron fraction, a reduction in the GT+ strength can result in a slightly increased electron fraction compared to previous shell model predictions, though the enhancement is not as large as previous enhancements in going from rates computed by Fuller, Fowler, and Newman based on an independent particle model. A shell model parametrization has been developed that more closely matches experimental GT strengths. The resultant electron-capture rates are used in nucleosynthesis calculations for carbon deflagration and explosion phases of SNe Ia, and the final mass fractions are compared to those obtained using more commonly used rates.

  8. Beyond mean-field description of Gamow-Teller resonances and β-decay

    NASA Astrophysics Data System (ADS)

    Niu, Yifei; Colò, Gianluca; Vigezzi, Enrico; Bai, Chunlin; Niu, Zhongming; Sagawa, Hiroyuki

    2018-02-01

    β-decay half-lives set the time scale of the rapid neutron capture process, and are therefore essential for understanding the origin of heavy elements in the universe. The random-phase approximation (RPA) based on Skyrme energy density functionals is widely used to calculate the properties of Gamow-Teller (GT) transitions, which play a dominant role in β-decay half-lives. However, the RPA model has its limitations in reproducing the resonance width and often overestimates β-decay half-lives. To overcome these problems, effects beyond mean-field can be included on top of the RPA model. In particular, this can be obtained by taking into account the particle-vibration coupling (PVC). Within the RPA+PVC model, we successfully reproduce the experimental GT resonance width and β-decay half-lives in magic nuclei. We then extend the formalism to superfluid nuclei and apply it to the GT resonance in 120Sn, obtaining a good reproduction of the experimental strength distribution. The effect of isoscalar pairing is also discussed.

  9. Shell-model method for Gamow-Teller transitions in heavy deformed odd-mass nuclei

    NASA Astrophysics Data System (ADS)

    Wang, Long-Jun; Sun, Yang; Ghorui, Surja K.

    2018-04-01

    A shell-model method for calculating Gamow-Teller (GT) transition rates in heavy deformed odd-mass nuclei is presented. The method is developed within the framework of the projected shell model. To implement the computation requirement when many multi-quasiparticle configurations are included in the basis, a numerical advancement based on the Pfaffian formula is introduced. With this new many-body technique, it becomes feasible to perform state-by-state calculations for the GT nuclear matrix elements of β -decay and electron-capture processes, including those at high excitation energies in heavy nuclei which are usually deformed. The first results, β- decays of the well-deformed A =153 neutron-rich nuclei, are shown as the example. The known log(f t ) data corresponding to the B (GT- ) decay rates of the ground state of 153Nd to the low-lying states of 153Pm are well described. It is further shown that the B (GT) distributions can have a strong dependence on the detailed microscopic structure of relevant states of both the parent and daughter nuclei.

  10. Double Gamow-Teller Transitions and its Relation to Neutrinoless β β Decay

    NASA Astrophysics Data System (ADS)

    Shimizu, Noritaka; Menéndez, Javier; Yako, Kentaro

    2018-04-01

    We study the double Gamow-Teller (DGT) strength distribution of 48Ca with state-of-the-art large-scale nuclear shell model calculations. Our analysis shows that the centroid energy of the DGT giant resonance depends mostly on the isovector pairing interaction, while the resonance width is more sensitive to isoscalar pairing. Pairing correlations are also key in neutrinoless β β (0 ν β β ) decay. We find a simple relation between the centroid energy of the 48Ca DGT giant resonance and the 0 ν β β decay nuclear matrix element. More generally, we observe a very good linear correlation between the DGT transition to the ground state of the final nucleus and the 0 ν β β decay matrix element. The correlation, which originates on the dominant short-range character of both transitions, extends to heavier systems including several β β emitters and also holds in energy-density functional results. Our findings suggest that DGT experiments can be a very valuable tool to obtain information on the value of 0 ν β β decay nuclear matrix elements.

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

    NASA Astrophysics Data System (ADS)

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

    2018-05-01

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

  12. β -decay scheme of 140Te to I 140 : Suppression of Gamow-Teller transitions between the neutron h9 /2 and proton h11 /2 partner orbitals

    NASA Astrophysics Data System (ADS)

    Moon, B.; Moon, C.-B.; Odahara, A.; Lozeva, R.; Söderström, P.-A.; Browne, F.; Yuan, C.; Yagi, A.; Hong, B.; Jung, H. S.; Lee, P.; Lee, C. S.; Nishimura, S.; Doornenbal, P.; Lorusso, G.; Sumikama, T.; Watanabe, H.; Kojouharov, I.; Isobe, T.; Baba, H.; Sakurai, H.; Daido, R.; Fang, Y.; Nishibata, H.; Patel, Z.; Rice, S.; Sinclair, L.; Wu, J.; Xu, Z. Y.; Yokoyama, R.; Kubo, T.; Inabe, N.; Suzuki, H.; Fukuda, N.; Kameda, D.; Takeda, H.; Ahn, D. S.; Shimizu, Y.; Murai, D.; Bello Garrote, F. L.; Daugas, J. M.; Didierjean, F.; Ideguchi, E.; Ishigaki, T.; Morimoto, S.; Niikura, M.; Nishizuka, I.; Komatsubara, T.; Kwon, Y. K.; Tshoo, K.

    2017-07-01

    We report for the first time the β -decay scheme of 140Te (Z =52 ) to 140I (Z =53 ), with a specific focus on the Gamow-Teller strength along N =87 isotones. These results were obtained in an experiment performed at the Radioactive Ion Beam Factory (RIBF), RIKEN, where the parent nuclide, 140Te, was produced through the in-flight fission of a 238U beam at 345 MeV per nucleon impinging on a 9Be target. Based on data from the high-efficiency γ -ray spectrometer, EUROBALL-RIKEN Cluster Array (EURICA), we constructed a decay scheme of 140I. The half-life of 140Te has been determined to be 350(5) ms. A level at 926 keV has been assigned as a (1+) state based on the logf t value of 4.89(6). This (1+) state, commonly observed in odd-odd nuclei, can be interpreted in terms of the π h11 /2ν h9 /2 configuration formed by the Gamow-Teller transition between a neutron in the h9 /2 orbital and a proton in the h11 /2 orbital. We observe a sharp contrast to this type of β -decay branching to the lower-lying 1+ states between 140I and 136I, where we see a large reduction as the number of neutrons increases. This is in contrast to the prediction by large-scale shell model calculations. To investigate this type of the suppression, results of the Nilsson model calculations will be discussed. Along the isotones with N =87 , we discuss a characteristic feature of the Gamow-Teller distributions at 1+ states with respect to the isospin difference.

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

    NASA Astrophysics Data System (ADS)

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

    2018-05-01

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

  14. Gamow-Teller transitions in the 64Ni(3He, t)64Cu reaction

    NASA Astrophysics Data System (ADS)

    Popescu, L.; Adachi, T.; Berg, G. P. A.; von Brentano, P.; De Frenne, D.; Fujita, K.; Fujita, Y.; Hatanaka, K.; Jacobs, E.; Negret, A.; Nakanishi, K.; Sakemi, Y.; Shimbara, Y.; Shimizu, Y.; Tameshige, Y.; Tamii, A.; Uchida, M.; Yosoi, M.

    2005-10-01

    In order to study the Gamow-Teller (GT) transitions in the fp-shell nucleus 64Cu, the 64Ni(3He, t)64Cu charge-exchange reaction was investigated at E3He= 140 MeV/nucleon [1]. The outgoing tritons were momentum analysed by the Grand Raiden spectrometer at 0°. The very high energy resolution of 35 keV (FWHM) allowed the separation of individual levels in the excitation energy region from 0 to 3.5 MeV. An angular distribution analysis was performed for the observed transitions to these states. In addition to the ground state (g.s.), known to be a Jπ = 1+ GT state, several excited states showed L = 0 nature, making them candidates of GT states. At higher excitation energies, the level density becomes very high and a bump-like structure, the so-called GT Giant Resonance, dominates the spectrum.

  15. Study of Gamow-Teller strength and associated weak-rates on odd-A nuclei in stellar matter

    NASA Astrophysics Data System (ADS)

    Majid, Muhammad; Nabi, Jameel-Un; Riaz, Muhammad

    In a recent study by Cole et al. [A. L. Cole et al., Phys. Rev. C 86 (2012) 015809], it was concluded that quasi-particle random phase approximation (QRPA) calculations show larger deviations and overestimate the total experimental Gamow-Teller (GT) strength. It was also concluded that QRPA calculated electron capture rates exhibit larger deviation than those derived from the measured GT strength distributions. The main purpose of this study is to probe the findings of the Cole et al. paper. This study gives useful information on the performance of QRPA-based nuclear models. As per simulation results, the capturing of electrons that occur on medium heavy isotopes have a significant role in decreasing the ratio of electron-to-baryon content of the stellar interior during the late stages of core evolution. We report the calculation of allowed charge-changing transitions strength for odd-A fp-shell nuclei (45Sc and 55Mn) by employing the deformed pn-QRPA approach. The computed GT transition strength is compared with previous theoretical calculations and measured data. For stellar applications, the corresponding electron capture rates are computed and compared with rates using previously calculated and measured GT values. Our finding shows that our calculated results are in decent accordance with measured data. At higher stellar temperature, our calculated electron capture rates are larger than those calculated by independent particle model (IPM) and shell model. It was further concluded that at low temperature and high density regions, the positron emission weak-rates from 45Sc and 55Mn may be neglected in simulation codes.

  16. Gamow-Teller strength and lepton captures rates on 66-71Ni in stellar matter

    NASA Astrophysics Data System (ADS)

    Nabi, Jameel-Un; Majid, Muhammad

    Charge-changing transitions play a significant role in stellar weak-decay processes. The fate of the massive stars is decided by these weak-decay rates including lepton (positron and electron) captures rates, which play a consequential role in the dynamics of core collapse. As per previous simulation results, weak interaction rates on nickel (Ni) isotopes have significant influence on the stellar core vis-à-vis controlling the lepton content of stellar matter throughout the silicon shell burning phases of high mass stars up to the presupernova stages. In this paper, we perform a microscopic calculation of Gamow-Teller (GT) charge-changing transitions, in the β-decay and electron capture (EC) directions, for neutron-rich Ni isotopes (66-71Ni). We further compute the associated weak-decay rates for these selected Ni isotopes in stellar environment. The computations are accomplished by employing the deformed proton-neutron quasiparticle random phase approximation (pn-QRPA) model. A recent study showed that the deformed pn-QRPA theory is well suited for the estimation of GT transitions. The astral weak-decay rates are determined over densities in the range of 10-1011g/cm3 and temperatures in the range of 0.01 × 109-30 × 109K. The calculated lepton capture rates are compared with the previous calculation of Pruet and Fuller (PF). The overall comparison demonstrates that, at low stellar densities and high temperatures, our EC rates are bigger by as much as two orders of magnitude. Our results show that, at higher temperatures, the lepton capture rates are the dominant mode for the stellar weak rates and the corresponding lepton emission rates may be neglected.

  17. Nuclear structure properties and stellar weak rates for 76Se: Unblocking of the Gamow Teller strength

    NASA Astrophysics Data System (ADS)

    Nabi, Jameel-Un; Ishfaq, Mavra; Böyükata, Mahmut; Riaz, Muhammad

    2017-10-01

    At finite temperatures (≥ 107K), 76Se is abundant in the core of massive stars and electron capture on 76Se has a consequential role to play in the dynamics of core-collapse. The present work may be classified into two main categories. In the first phase we study the nuclear structure properties of 76Se using the interacting boson model-1 (IBM-1). The IBM-1 investigations include the energy levels, B (E 2) values and the prediction of the geometry. We performed the extended consistent-Q formalism (ECQF) calculation and later the triaxial formalism calculation (constructed by adding the cubic term to the ECQF). The geometry of 76Se can be envisioned within the formalism of the potential energy surface based on the classical limit of IBM-1 model. In the second phase, we reconfirm the unblocking of the Gamow-Teller (GT) strength in 76Se (a test case for nuclei having N > 40 and Z < 40). Using the deformed pn-QRPA model we calculate GT transitions, stellar electron capture cross section (within the limit of low momentum transfer) and stellar weak rates for 76Se. The distinguishing feature of our calculation is a state-by-state evaluation of stellar weak rates in a fully microscopic fashion. Results are compared with experimental data and previous calculations. The calculated GT distribution fulfills the Ikeda sum rule. Rates for β-delayed neutrons and emission probabilities are also calculated. Our study suggests that at high stellar temperatures and low densities, the β+-decay on 76Se should not be neglected and needs to be taken into consideration along with electron capture rates for simulation of presupernova evolution of massive stars.

  18. Isospin symmetry of Tz =±3/2→±1/2 Gamow-Teller transitions in A=41 nuclei

    NASA Astrophysics Data System (ADS)

    Fujita, Y.; Shimbara, Y.; Adachi, T.; Berg, G. P.; Brown, B. A.; Fujita, H.; Hatanaka, K.; Kamiya, J.; Nakanishi, K.; Sakemi, Y.; Sasaki, S.; Shimizu, Y.; Tameshige, Y.; Uchida, M.; Wakasa, T.; Yosoi, M.

    2004-11-01

    Under the assumption that isospin T is a good quantum number, isobaric analog states and various analogous transitions are expected in isobars with mass number A . The strengths of Tz =±3/2→±1/2 analogous Gamow-Teller (GT) transitions and analogous M1 transitions within the A=41 isobar quartet are compared in detail. The Tz =+3/2→+1/2 GT transitions from the Jπ = 3/2+ ground state of 41K leading to excited Jπ = 1/2+ , 3/2+ , and 5/2+ states in 41Ca were measured using the ( 3He ,t) charge-exchange reaction. With a high energy resolution of 35 keV , many fragmented states were observed, and the GT strength distribution was determined up to 10 MeV excitation energy ( Ex ) . The main part of the strength was concentrated in the Ex =4 6 MeV region. A shell-model calculation could reproduce the concentration, but not so well details of the strength distribution. The obtained distribution was further compared with two results of 41Ti β decay studying the analogous Tz =-3/2→-1/2 GT strengths. They reported contradicting distributions. One-to-one correspondences of analogous transitions and analog states were assigned up to Ex =6 MeV in the comparison with one of these 41Ti β -decay results. Combining the spectroscopic information of the analog states in 41Ca and 41Sc , the most probable Jπ values were deduced for each pair of analog states. It was found that 5/2+ states carry the main part of the observed GT strength, while much less GT strength was carried by 1/2+ and 3/2+ states. The gross features of the GT strength distributions for each J were similar for the isospin analogous Tz =±3/2→±1/2 transitions, but the details were somewhat different. From the difference of the distributions, isospin-asymmetry matrix elements of ≈8 keV were deduced. The Coulomb displacement energy, which is sensitive to the configuration of states, showed a sudden increase of about 50 keV at the excitation energy of 3.8 MeV . The strengths of several M1 transitions to the

  19. High-resolution study of Gamow-Teller transitions in the 47Ti(3He,t)47V reaction

    NASA Astrophysics Data System (ADS)

    Ganioǧlu, E.; Fujita, H.; Fujita, Y.; Adachi, T.; Algora, A.; Csatlós, M.; Deaven, J. M.; Estevez-Aguado, E.; Guess, C. J.; Gulyás, J.; Hatanaka, K.; Hirota, K.; Honma, M.; Ishikawa, D.; Krasznahorkay, A.; Matsubara, H.; Meharchand, R.; Molina, F.; Okamura, H.; Ong, H. J.; Otsuka, T.; Perdikakis, G.; Rubio, B.; Scholl, C.; Shimbara, Y.; Susoy, G.; Suzuki, T.; Tamii, A.; Thies, J. H.; Zegers, R. G. T.; Zenihiro, J.

    2013-01-01

    Given the importance of Gamow-Teller (GT) transitions in nuclear structure and astrophysical nuclear processes, we have studied Tz=+3/2→+1/2, GT transitions starting from the 47Ti nucleus in the (3He,t) charge-exchange reaction at 0∘ and at an intermediate incident energy of 140 MeV/nucleon. The experiments were carried out at the Research Center for Nuclear Physics (RCNP), Osaka, using the high-resolution facility with a high-dispersion beam line and the Grand-Raiden spectrometer. With an energy resolution of 20 keV, individual GT transitions were observed and GT strength was derived for each state populated up to an excitation energy (Ex) of 12.5 MeV. The GT strength was widely distributed from low excitation energy up to 12.5 MeV, where we had to stop the analysis because of the high level density. The distribution of the GT strengths was compared with the results of shell model calculations using the GXPF1 interaction. The calculations could reproduce the experimental GT distributions well. The GT transitions from the ground state of 47Ti and the M1 transitions from the isobaric analog state in 47V to the same low-lying states in 47V are analogous. It was found that the ratios of GT transition strengths to the ground state, the 0.088-MeV state, and the 0.146-MeV state are similar to the ratios of the strengths of the analogous M1 transitions from the isobaric analog state (IAS) to these states. The measured distribution of the GT strengths was also compared with those starting from the Tz=+3/2 nucleus 41K to the Tz=+1/2 nucleus 41Ca.

  20. Shape coexistence, shape evolution and Gamow-Teller {beta}-decay of neutron-rich A Asymptotically-Equal-To 100 nuclei

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

    Petrovici, A.; Schmid, K. W.; Faessler, A.

    The structure of neutron-rich nuclei in the A Asymptotically-Equal-To 100 mass region relevant for the astrophysical r process manifests drastic changes in some isotopic chains and often sudden variations of particular nuclear properties have been identified. For a realistic description of the evolution in structure with increasing energy, spin, and isospin determined by shape coexistence and mixing beyond-mean-field approaches are required. Our recent studies represent an attempt to the self-consistent description of the shape coexistence phenomena in neutron-rich A Asymptotically-Equal-To 100 nuclei within the complex Excited Vampir variational model with symmetry projection before variation using a realistic effective interaction basedmore » on the Bonn A potential in a large model space. Results concerning the triple shape coexistence and the shape evolution in the N=58 Sr and Zr isotopes, the shape evolution in a chain of Zr nuclei, as well as the Gamow-Teller {beta}-decay properties of neutron-rich Zr and Tc nuclei are presented.« less

  1. Gamow-Teller transitions between proton h11/2 and neutron h9/2 partner orbitals in 140I

    NASA Astrophysics Data System (ADS)

    Moon, B.; Moon, C.-B.; Odahara, A.; Lozeva, R.; Söderström, P.-A.; Nishimura, S.; Yuan, C.; Hong, B.; for theNP1112-RIBF87 Collaboration

    2018-04-01

    The excited states of the neutron-rich nucleus 140I were, for the first time, investigated by a β-delayed γ-ray spectroscopy. The parent nuclide 140Te was produced through the in-flight fission of the 238U beam at 345 MeV per nucleon on a 9Be target at the Radioactive Isotope Beam Factory (RIBF), RIKEN in Japan. The half-life of 140Te was measured to be 350(5) ms and the spin-parity of ground state of 140I was found to be 2-. The spin-parities of three levels at 926, 1188, and 1787 keV were assigned as 1+ based on log f t values. These allowed Gamow-Teller (G-T) transition-states could be interpreted as the transformation of a neutron in the h9/2 orbital into a proton in the h11/2 orbital. Systematic features of level structures and G-T transitions are discussed in the frameworks of the large-scale shell model and deformed shell model.

  2. Gamow-Teller response in the configuration space of a density-functional-theory-rooted no-core configuration-interaction model

    NASA Astrophysics Data System (ADS)

    Konieczka, M.; Kortelainen, M.; Satuła, W.

    2018-03-01

    Background: The atomic nucleus is a unique laboratory in which to study fundamental aspects of the electroweak interaction. This includes a question concerning in medium renormalization of the axial-vector current, which still lacks satisfactory explanation. Study of spin-isospin or Gamow-Teller (GT) response may provide valuable information on both the quenching of the axial-vector coupling constant as well as on nuclear structure and nuclear astrophysics. Purpose: We have performed a seminal calculation of the GT response by using the no-core configuration-interaction approach rooted in multireference density functional theory (DFT-NCCI). The model treats properly isospin and rotational symmetries and can be applied to calculate both the nuclear spectra and transition rates in atomic nuclei, irrespectively of their mass and particle-number parity. Methods: The DFT-NCCI calculation proceeds as follows: First, one builds a configuration space by computing relevant, for a given physical problem, (multi)particle-(multi)hole Slater determinants. Next, one applies the isospin and angular-momentum projections and performs the isospin and K mixing in order to construct a model space composed of linearly dependent states of good angular momentum. Eventually, one mixes the projected states by solving the Hill-Wheeler-Griffin equation. Results: The method is applied to compute the GT strength distribution in selected N ≈Z nuclei including the p -shell 8Li and 8Be nuclei and the s d -shell well-deformed nucleus 24Mg. In order to demonstrate a flexibility of the approach we present also a calculation of the superallowed GT β decay in doubly-magic spherical 100Sn and the low-spin spectrum in 100In. Conclusions: It is demonstrated that the DFT-NCCI model is capable of capturing the GT response satisfactorily well by using a relatively small configuration space, exhausting simultaneously the GT sum rule. The model, due to its flexibility and broad range of applicability, may

  3. High-lying Gamow-Teller excited states in the deformed nuclei,76Ge,82Se and N = 20 nuclei in the island of inversion by the Deformed QRPA (DQRPA)

    NASA Astrophysics Data System (ADS)

    Cheoun, Myung-Ki; Ha, Eunja

    2013-07-01

    With the advent of high analysis technology in detecting the Gamow-Teller (GT) excited states beyond one nucleon emission threshold, the quenching of the GT strength to the Ikeda sum rule (ISR) seems to be recovered by the high-lying (HL) GT states. We address that these HL GT excited states result from the smearing of the Fermi surface by the increase of the chemical potential owing to the deformation within a framework of the deformed quasi-particle random phase approximation (DQRPA). Detailed mechanism leading to the smearing is discussed, and comparisons to the available experimental data on 76Ge,82Se and N = 20 nuclei are shown to explain the strong peaks on the HL GT excited states.

  4. High-resolution study of Gamow-Teller transitions via the 54Fe(3He,t)54Co reaction

    NASA Astrophysics Data System (ADS)

    Adachi, T.; Fujita, Y.; Bacher, A. D.; Berg, G. P. A.; Black, T.; de Frenne, D.; Foster, C. C.; Fujita, H.; Fujita, K.; Hatanaka, K.; Honma, M.; Jacobs, E.; Jänecke, J.; Kanzaki, K.; Katori, K.; Nakanishi, K.; Negret, A.; Otsuka, T.; Popescu, L.; Roberts, D. A.; Sakemi, Y.; Shimbara, Y.; Shimizu, Y.; Stephenson, E. J.; Tameshige, Y.; Tamii, A.; Uchida, M.; Ueno, H.; Yamanaka, T.; Yosoi, M.; Zell, K. O.

    2012-02-01

    The Gamow-Teller transition strengths, B(GT), in pf-shell nuclei are of interest in nuclear physics as well as in nuclear astrophysics. A high-resolution (3He,t) charge-exchange (CE) reaction was performed on the Tz=+1 nucleus 54Fe at 0∘ and at an intermediate incident energy of 140 MeV/nucleon for the study of precise GT transition strengths to the final Tz=0 nucleus 54Co. By applying dispersion matching techniques for a high-quality 3He beam at RCNP, an energy resolution of 21 keV and an angular resolution of 5 mr were realized. The bumplike structure of the GT resonance observed in low-resolution CE reactions at around the excitation energy (Ex) of 10 MeV was resolved in individual L = 0, GT states. Excitation strengths were obtained for these GT states. If the R2 value that is defined by the ratio between GT and Fermi unit cross sections is known, the B(GT) values can be determined from the excitation strengths. For the derivation of the R2 value, the “merged analysis” combining the GT strength distribution from the 54Fe(3He,t)54Co study and the half-life from a 54Ni β decay was used, where T=1 isospin symmetry for A=54 isobars was assumed. The GT strengths were compared with a shell-model calculation using the GXPF1 interaction. The final GT states can have the isospin values T = 0, 1, and 2. The isospin T of each GT state observed in the 8.3≤Ex≤12.0 MeV region of the 54Fe(3He,t)54Co spectrum was identified by comparing the excitation strength with that of corresponding M1 state observed in a 54Fe(p,p')54Fe experiment. The B(GT) values of the states identified to have T=2, in particular, are of importance for the calculation of the electron capture rates at the core-collapse stage of presupernovae. The B(GT) strengths were further compared with B(M1) strengths measured in the 54Fe(e,e')54Fe reaction. In the M1 excitation using an electromagnetic probe, isoscalar (IS) and isovector (IV) orbital type operators are active in addition to the IV spin

  5. Gamow-Teller Strength Distributions in {sup 48}Sc by the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) Reactions and Two-Neutrino Double-beta Decay Nuclear Matrix Elements

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

    Yako, K.; Sasano, M.; Miki, K.

    2009-07-03

    The double-differential cross sections for the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) reactions were measured at 300 MeV. A multipole decomposition technique was applied to the spectra to extract the Gamow-Teller (GT) components. The integrated GT strengths up to an excitation energy of 30 MeV in {sup 48}Sc are 15.3+-2.2 and 2.8+-0.3 in the (p,n) and (n,p) spectra, respectively. In the (n,p) spectra additional GT strengths were found above 8 MeV where shell models within the fp shell-model space predict almost no GT strengths, suggesting that the present shell-model description of the nuclear matrix element of the two-neutrino double-beta decay ismore » incomplete.« less

  6. Measurements of the {sup 116}Cd(p,n) and {sup 116}Sn(n,p) reactions at 300 MeV for studying Gamow-Teller transition strengths in the intermediate nucleus of the {sup 116}Cd double-{beta} decay

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

    Sasano, M.; Kuboki, H.; Sekiguchi, K.

    2009-11-09

    The double differential cross sections for the {sup 116}Cd(p,n) and {sup 116}Sn(n,p) reactions at 300 MeV have been measured over a wide excitation-energy region including Gamow-Teller (GT) giant resonance (GTGR) for studying GT transition strengths in the intermediate nucleus of the {sup 116}Cd double-{beta} decay, namely {sup 116}In. A large amount of the strengths in the {beta}{sup +} direction has been newly found in the energy region up to 30 MeV, which may imply that the GT strengths in the GTGR region contribute to the nuclear matrix element of the two-neutrino double-{beta} decay.

  7. Dynamical Jahn-Teller effect of fullerene anions

    NASA Astrophysics Data System (ADS)

    Liu, Dan; Iwahara, Naoya; Chibotaru, Liviu F.

    2018-03-01

    The dynamical Jahn-Teller effect of C60n - anions (n =1 -5) is studied using the numerical diagonalization of the linear pn⊗8 d Jahn-Teller Hamiltonian with the currently established coupling parameters. It is found that in all anions the Jahn-Teller effect stabilizes the low-spin states, resulting in the violation of Hund's rule. The energy gain due to the Jahn-Teller dynamics is found to be comparable to the static Jahn-Teller stabilization. The Jahn-Teller dynamics influences the thermodynamic properties via strong variation of the density of vibronic states with energy. Thus the large vibronic entropy in the low-spin states enhances the effective spin gap of C603 - quenching the spin crossover. From the calculations of the effective spin gap as a function of the Hund's rule coupling, we found that the latter should amount 40 ±5 meV in order to cope with the violation of Hund's rule and to reproduce the large spin gap. With the obtained numerical solutions, the matrix elements of electronic operators for the low-lying vibronic levels and the vibronic reduction factors are calculated for all anions.

  8. Analogous Gamow-Teller and M1 Transitions in Tz = ±½ Mirror Nuclei and in Tz = ±1, 0 Triplet Nuclei relevant to Low-energy Super GT state

    NASA Astrophysics Data System (ADS)

    Fujita, Yoshitaka; Fujita, Hirohiko; Tanumura, Yusuke

    2018-05-01

    Nuclei have spin- and isospin-degrees of freedom. Therefore, Gamow-Teller (GT) transitions caused by the στ operator (spin-isospin operator) are unique tools for the studies of nuclear structure as well as nuclear interactions. They can be studied in β decays as well as charge-exchange (CE) reactions. Similarly, M1 γ decays are mainly caused by the στ operator. Combined studies of these transitions caused by Weak, Strong, and Electro-Magnetic interactions provide us a deeper understanding of nuclear spin-isospin-type transitions. We first compare the strengths of analogous GT and M1 transitions in the A = 27, Tz = ±½ mirror nuclei 27Al and 27Si. The comparison is extended to the Tz = ±1, 0 nuclei. The strength of GT transition from the ground state (g.s.) of 42Ca to the 0.611 MeV first Jπ = 1+ state in 42Sc is compared with that of the analogous M1 transition from the 0.611 MeV state to the T = 1, 0+ g.s. (isobaric analog state: IAS) in 42Sc. The 0.611 MeV state has the property of Low-energy Super GT (LeSGT) state, because it carries the main part of the GT strength of all available transitions from the g.s. of 42Ca (and 42Ti) to the Jπ = 1+ GT states in 42Sc.

  9. The Gamow-state description of the decay energy spectrum of neutron-unbound 25O

    NASA Astrophysics Data System (ADS)

    Id Betan, R. M.; de la Madrid, R.

    2018-02-01

    We show the feasibility of calculating the decay energy spectrum of neutron emitting nuclei within the Gamow-state description of resonances by obtaining the decay energy spectrum of 25O. We model this nucleus as a valence neutron interacting with an 24O inert core, and we obtain the resulting resonant energies, widths and decay energy spectra for the ground and first excited states. We also discuss the similarities and differences between the decay energy spectrum of a Gamow state and the Breit-Wigner distribution with energy-dependent width.

  10. On the Time-Dependent Analysis of Gamow Decay

    ERIC Educational Resources Information Center

    Durr, Detlef; Grummt, Robert; Kolb, Martin

    2011-01-01

    Gamow's explanation of the exponential decay law uses complex "eigenvalues" and exponentially growing "eigenfunctions". This raises the question, how Gamow's description fits into the quantum mechanical description of nature, which is based on real eigenvalues and square integrable wavefunctions. Observing that the time evolution of any…

  11. Gamow on Newton: Another Look at Centripetal Acceleration

    ERIC Educational Resources Information Center

    Corrao, Christian

    2012-01-01

    Presented here is an adaptation of George Gamow's derivation of the centripetal acceleration formula as it applies to Earth's orbiting Moon. The derivation appears in Gamows short but engaging book "Gravity", first published in 1962, and is essentially a distillation of Newton's work. While "TPT" contributors have offered several insightful…

  12. On a Class of Hairy Square Barriers and Gamow Vectors

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

    Fernandez-Garcia, N.

    The second order Darboux-Gamow transformation is applied to deform square one dimensional barriers in non-relativistic quantum mechanics. The initial and the new 'hairy' potentials have the same transmission probabilities (for the appropriate parameters). In general, new Gamow vectors are constructed as Darboux deformations of the initial ones.

  13. Teller, Edward (1908-)

    NASA Astrophysics Data System (ADS)

    Murdin, P.

    2000-11-01

    American physicist, born in Budapest, Hungary; at George Washington University collaborated with George Gamow in studying nuclear beta decay, and astrophysics. Worked on the atomic and hydrogen bombs....

  14. β -decay rate of 59Fe in shell burning environment and its influence on the production of 60Fe in a massive star

    NASA Astrophysics Data System (ADS)

    Li, K. A.; Lam, Y. H.; Qi, C.; Tang, X. D.; Zhang, N. T.

    2016-12-01

    We deduced the stellar β -decay rate of 59Fe at typical carbon-shell burning temperature by taking the experimental Gamow-Teller transition strengths of the 59Fe excited states. The result is also compared with those derived from large-scale shell model calculations. The new rate is up to a factor of 2.5 lower than the theoretical rate of Fuller, Fowler, and Newman (FFN) and up to a factor of 5 higher than decay rate of Langanke and Martínez-Pinedo (LMP) in the temperature region 0.5 ≤T ≤2 GK. We estimated the impact of the newly determined rate on the synthesis of cosmic γ emitter 60Fe in C-shell burning and explosive C/Ne burning using a one-zone model calculation. Our results show that 59Fe stellar β decay plays an important role in 60Fe nucleosynthesis, even though the uncertainty of the decay rate is rather large due to the error of B (GT) strengths.

  15. George Gamow: Scientific Amateur and Polymath

    NASA Astrophysics Data System (ADS)

    Harper, Eamon

    George Gamow (1904-1968) was among the first of the many brilliant scientists who forsook Europe for the United States in the early 1930s. Although most were fleeing the fascist imperium of Hitler and Mussolini, Gamow was one of a few who managed to escape the burgeoning despotism of Stalin in the Soviet Union. His early application of quantum mechanics to the atomic nucleus and his subsequent insight into the role played by the physics of the atom and its nucleus in stars, galaxies, and the universe identifies him as a scientist of unusual genius. Gamow displayed a boisterous, infectious - almost Rutherfordian - interest in all aspects of pure science. His interests were broad and his industry prodigious. His scientific output covered areas as diverse as nuclear physics, astrophysics, cosmology, biological genetics, and the fascinating question of the relationship of the large-scale structure and development of the universe to the properties of elementary particles and fields. He also was an immensely imaginative and prolific author of popular expositions on scientific subjects. One who is as well-known for his authorship of the Mr. Tompkins series of science popularizations as for his contributions to the development of the physical consequences of the big-bang theory of the expanding universe and the prediction of the cosmic background radiation must be unique in the scientific pantheon.

  16. Partial restoration of isospin symmetry for neutrinoless double β decay in the deformed nuclear system of 150Nd

    NASA Astrophysics Data System (ADS)

    Fang, Dong-Liang; Faessler, Amand; Simkovic, Fedor

    2015-10-01

    In this work, we calculate the matrix elements for the 0 ν β β decay of 150Nd using the deformed quasiparticle random-phase approximation (p n -QRPA) method. We adopted the approach introduced by Rodin and Faessler [Phys. Rev. C 84, 014322 (2011), 10.1103/PhysRevC.84.014322] and Simkovic et al. [Phys. Rev. C 87, 045501 (2013), 10.1103/PhysRevC.87.045501] to restore the isospin symmetry by enforcing MF2 ν=0 . We found that with this restoration, the Fermi matrix elements are reduced in the strongly deformed 150Nd by about 15 to 20%, while the more important Gamow-Teller matrix elements remain the same. The results of an enlarged model space are also presented. This enlargement increases the total (Fermi plus Gamow-Teller) matrix elements by less than 10%.

  17. Quantum Monte Carlo calculations of weak transitions in A = 6 – 10 nuclei

    DOE PAGES

    Pastore, S.; Baroni, A.; Carlson, J.; ...

    2018-02-26

    {\\it Ab initio} calculations of the Gamow-Teller (GT) matrix elements in themore » $$\\beta$$ decays of $^6$He and $$^{10}$$C and electron captures in $^7$Be are carried out using both variational and Green's function Monte Carlo wave functions obtained from the Argonne $$v_{18}$$ two-nucleon and Illinois-7 three-nucleon interactions, and axial many-body currents derived from either meson-exchange phenomenology or chiral effective field theory. The agreement with experimental data is excellent for the electron captures in $^7$Be, while theory overestimates the $^6$He and $$^{10}$$C data by $$\\sim 2\\%$$ and $$\\sim 10\\%$$, respectively. We show that for these systems correlations in the nuclear wave functions are crucial to explain the data, while many-body currents increase by $$\\sim 2$$--$$3\\%$$ the one-body GT contributions. These findings suggest that the longstanding $$g_A$$-problem, {\\it i.e.}, the systematic overprediction ($$\\sim 20 \\%$$ in $$A\\le 18$$ nuclei) of GT matrix elements in shell-model calculations, may be resolved, at least partially, by correlation effects.« less

  18. Quantum shielding effects on the Gamow penetration factor for nuclear fusion reaction in quantum plasmas

    NASA Astrophysics Data System (ADS)

    Lee, Myoung-Jae; Jung, Young-Dae

    2017-01-01

    The quantum shielding effects on the nuclear fusion reaction process are investigated in quantum plasmas. The closed expression of the classical turning point for the Gamow penetration factor in quantum plasmas is obtained by the Lambert W-function. The closed expressions of the Gamow penetration factor and the cross section for the nuclear fusion reaction in quantum plasmas are obtained as functions of the plasmon energy and the relative kinetic energy by using the effective interaction potential with the WKB analysis. It is shown that the influence of quantum screening suppresses the Sommerfeld reaction factor. It is also shown that the Gamow penetration factor increases with an increase of the plasmon energy. It is also shown that the quantum shielding effect enhances the deuterium formation by the proton-proton reaction in quantum plasmas. In addition, it is found that the energy dependences on the reaction cross section and the Gamow penetration factor are more significant in high plasmon-energy domains.

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

    Richter, W. A.; Mkhize, S.; Brown, B. Alex

    The new Hamiltonians USDA and USDB for the sd shell are used to calculate M1 and E2 moments and transition matrix elements, Gamow-Teller {beta}-decay matrix elements, and spectroscopic factors for sd-shell nuclei from A=17 to A=39. The results are compared with those obtained with the older USD Hamiltonian and with experiment to explore the interaction sensitivity of these observables.

  20. Gamow-Teller Strength Distributions for pf-shell Nuclei and its Implications in Astrophysics

    NASA Astrophysics Data System (ADS)

    Rahman, M.-U.; Nabi, J.-U.

    2009-08-01

    The {pf}-shell nuclei are present in abundance in the pre-supernova and supernova phases and these nuclei are considered to play an important role in the dynamics of core collapse supernovae. The B(GT) values are calculated for the {pf}-shell nuclei 55Co and 57Zn using the pn-QRPA theory. The calculated B(GT) strengths have differences with earlier reported shell model calculations, however, the results are in good agreement with the experimental data. These B(GT) strengths are used in the calculations of weak decay rates which play a decisive role in the core-collapse supernovae dynamics and nucleosynthesis. Unlike previous calculations the so-called Brink's hypothesis is not assumed in the present calculation which leads to a more realistic estimate of weak decay rates. The electron capture rates are calculated over wide grid of temperature ({0.01} × 109 - 30 × 109 K) and density (10-1011 g-cm-3). Our rates are enhanced compared to the reported shell model rates. This enhancement is attributed partly to the liberty of selecting a huge model space, allowing consideration of many more excited states in the present electron capture rates calculations.

  1. New calculations of gross β-decay properties for astrophysical applications: Speeding-up the classical r process

    NASA Astrophysics Data System (ADS)

    Möller, Peter; Pfeiffer, Bernd; Kratz, Karl-Ludwig

    2003-05-01

    Recent compilations of experimental gross β-decay properties, i.e., half-lives (T1/2) and neutron-emission probabilities (Pn), are compared to improved global macroscopic-microscopic model predictions. The model combines calculations within the quasiparticle (QP) random-phase approximation for the Gamow-Teller (GT) part with an empirical spreading of the QP strength and the gross theory for the first-forbidden part of β- decay. Nuclear masses are either taken from the 1995 data compilation of Audi et al., when available, otherwise from the finite-range droplet model. Especially for spherical and neutron-(sub-)magic isotopes a considerable improvement compared to our earlier predictions for pure GT decay (ADNDT, 1997) is observed. T1/2 and Pn values up to the neutron drip line have been used in r-process calculations within the classical “waiting-point” approximation. With the new nuclear-physics input, a considerable speeding-up of the r-matter flow is observed, in particular at those r-abundance peaks which are related to magic neutron-shell closures.

  2. Structure and decays of nuclear three-body systems: The Gamow coupled-channel method in Jacobi coordinates

    NASA Astrophysics Data System (ADS)

    Wang, S. M.; Michel, N.; Nazarewicz, W.; Xu, F. R.

    2017-10-01

    Background: Weakly bound and unbound nuclear states appearing around particle thresholds are prototypical open quantum systems. Theories of such states must take into account configuration mixing effects in the presence of strong coupling to the particle continuum space. Purpose: To describe structure and decays of three-body systems, we developed a Gamow coupled-channel (GCC) approach in Jacobi coordinates by employing the complex-momentum formalism. We benchmarked the complex-energy Gamow shell model (GSM) against the new framework. Methods: The GCC formalism is expressed in Jacobi coordinates, so that the center-of-mass motion is automatically eliminated. To solve the coupled-channel equations, we use hyperspherical harmonics to describe the angular wave functions while the radial wave functions are expanded in the Berggren ensemble, which includes bound, scattering, and Gamow states. Results: We show that the GCC method is both accurate and robust. Its results for energies, decay widths, and nucleon-nucleon angular correlations are in good agreement with the GSM results. Conclusions: We have demonstrated that a three-body GSM formalism explicitly constructed in the cluster-orbital shell model coordinates provides results similar to those with a GCC framework expressed in Jacobi coordinates, provided that a large configuration space is employed. Our calculations for A =6 systems and 26O show that nucleon-nucleon angular correlations are sensitive to the valence-neutron interaction. The new GCC technique has many attractive features when applied to bound and unbound states of three-body systems: it is precise, is efficient, and can be extended by introducing a microscopic model of the core.

  3. Realistic Gamow shell model for resonance and continuum in atomic nuclei

    NASA Astrophysics Data System (ADS)

    Xu, F. R.; Sun, Z. H.; Wu, Q.; Hu, B. S.; Dai, S. J.

    2018-02-01

    The Gamow shell model can describe resonance and continuum for atomic nuclei. The model is established in the complex-moment (complex-k) plane of the Berggren coordinates in which bound, resonant and continuum states are treated on equal footing self-consistently. In the present work, the realistic nuclear force, CD Bonn, has been used. We have developed the full \\hat{Q}-box folded-diagram method to derive the realistic effective interaction in the model space which is nondegenerate and contains resonance and continuum channels. The CD-Bonn potential is renormalized using the V low-k method. With choosing 16O as the inert core, we have applied the Gamow shell model to oxygen isotopes.

  4. Jahn-Teller Effect: Its History and Applicability

    DOE R&D Accomplishments Database

    Teller, E.

    1981-08-31

    The interactions between Teller, Renner, Jahn and Landau which led to the formulation of the Jahn-Teller effect are discussed. The applicability of Jahn-Teller type of theory to superconductivity and the explanation proposed by the use of Goldstone particles are assessed.

  5. A Genuine Jahn-Teller System with Compressed Geometry and Quantum Effects Originating from Zero-Point Motion.

    PubMed

    Aramburu, José Antonio; García-Fernández, Pablo; García-Lastra, Juan María; Moreno, Miguel

    2016-07-18

    First-principle calculations together with analysis of the experimental data found for 3d(9) and 3d(7) ions in cubic oxides proved that the center found in irradiated CaO:Ni(2+) corresponds to Ni(+) under a static Jahn-Teller effect displaying a compressed equilibrium geometry. It was also shown that the anomalous positive g∥ shift (g∥ -g0 =0.065) measured at T=20 K obeys the superposition of the |3 z(2) -r(2) ⟩ and |x(2) -y(2) ⟩ states driven by quantum effects associated with the zero-point motion, a mechanism first put forward by O'Brien for static Jahn-Teller systems and later extended by Ham to the dynamic Jahn-Teller case. To our knowledge, this is the first genuine Jahn-Teller system (i.e. in which exact degeneracy exists at the high-symmetry configuration) exhibiting a compressed equilibrium geometry for which large quantum effects allow experimental observation of the effect predicted by O'Brien. Analysis of the calculated energy barriers for different Jahn-Teller systems allowed us to explain the origin of the compressed geometry observed for CaO:Ni(+) . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Configuration interaction calculations for the region of 76Ge

    NASA Astrophysics Data System (ADS)

    Brown, Alex

    2017-09-01

    I will present a short history of the configuration interaction Hamiltonians that have been developed for the (0f5 / 2 , 1p3 / 2 , 1p1 / 2 , 0g9 / 2) (jj 44) model space. This model space is appropriate for the region of nuclei bounded by the nickel isotopes for Z = 28 and the isotones with N = 50 . I will discuss results for the double-beta decay of 76Ge that lies in the jj 44 region. I will show results for the structure of nuclei around 76Ge for some selected data from gamma decay, Gamow-Teller beta decay, charge-exchange reactions, one-nucleon transfer reactions, and two-nucleon transfer reactions. This work was supported by NSF Grant PHY-1404442.

  7. Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules

    NASA Astrophysics Data System (ADS)

    Garner, Scott M.; Miller, Terry A.

    2017-06-01

    The structure in rotational spectra of many free radical molecules is complicated by Jahn-Teller distortions. Understanding the magnitudes of these distortions is vital to determining the equilibrium geometric structure and details of potential energy surfaces predicted from electronic structure calculations. For example, in the recently studied {\\widetilde{A}^2E^{''} } state of the NO_3 radical, the magnitudes of distortions are yet to be well understood as results from experimental spectroscopic studies of its vibrational and rotational structure disagree with results from electronic structure calculations of the potential energy surface. By fitting either vibrationally resolved spectra or vibronic levels determined by a calculated potential energy surface, we obtain vibronic eigenfunctions for the system as linear combinations of basis functions from products of harmonic oscillators and the degenerate components of the electronic state. Using these vibronic eigenfunctions we are able to predict parameters in the rotational Hamiltonian such as the Watson Jahn-Teller distortion term, h_1, and compare with the results from the analysis of rotational experiments.

  8. JOZSO, a computer code for calculating broad neutron resonances in phenomenological nuclear potentials

    NASA Astrophysics Data System (ADS)

    Baran, Á.; Noszály, Cs.; Vertse, T.

    2018-07-01

    A renewed version of the computer code GAMOW (Vertse et al., 1982) is given in which the difficulties in calculating broad neutron resonances are amended. New types of phenomenological neutron potentials with strict finite range are built in. Landscape of the S-matrix can be generated on a given domain of the complex wave number plane and S-matrix poles in the domain are localized. Normalized Gamow wave functions and trajectories of given poles can be calculated optionally.

  9. Energy dependence of the ratio of isovector effective interaction strengths |JστJτ| from 0° (p,n) cross sections

    NASA Astrophysics Data System (ADS)

    Taddeucci, T. N.; Rapaport, J.; Bainum, D. E.; Goodman, C. D.; Foster, C. C.; Gaarde, C.; Larsen, J.; Goulding, C. A.; Horen, D. J.; Masterson, T.; Sugarbaker, E.

    1982-02-01

    Information concerning the ratio of the isovector effective interaction strengths |JστJτ| may be obtained from the ratio of (p,n) Gamow-Teller and isobaric analog state 0° differential cross sections. We have examined 0° (p,n) data for the energy range 5-200 MeV and find that for energies larger than 50 MeV and for targets with A=7-42 the product of the interaction-strength and distortion-factor ratios |JστJτ|(NστNτ)12 appears to be mass independent and linear as a function of bombarding energy. NUCLEAR REACTIONS 7Li, 13, 14C, 26Mg, 37Cl, 41Ca(p,n), measured σ(θ=0°), GT, IAS transitions, Ep=60-200 MeV. Deduced energy dependence, interaction strength ratio |JστJτ|.

  10. Proton-Proton Fusion and Tritium β Decay from Lattice Quantum Chromodynamics

    NASA Astrophysics Data System (ADS)

    Savage, Martin J.; Shanahan, Phiala E.; Tiburzi, Brian C.; Wagman, Michael L.; Winter, Frank; Beane, Silas R.; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Nplqcd Collaboration

    2017-08-01

    The nuclear matrix element determining the p p →d e+ν fusion cross section and the Gamow-Teller matrix element contributing to tritium β decay are calculated with lattice quantum chromodynamics for the first time. Using a new implementation of the background field method, these quantities are calculated at the SU(3) flavor-symmetric value of the quark masses, corresponding to a pion mass of mπ˜806 MeV . The Gamow-Teller matrix element in tritium is found to be 0.979(03)(10) at these quark masses, which is within 2 σ of the experimental value. Assuming that the short-distance correlated two-nucleon contributions to the matrix element (meson-exchange currents) depend only mildly on the quark masses, as seen for the analogous magnetic interactions, the calculated p p →d e+ν transition matrix element leads to a fusion cross section at the physical quark masses that is consistent with its currently accepted value. Moreover, the leading two-nucleon axial counterterm of pionless effective field theory is determined to be L1 ,A=3.9 (0.2 )(1.0 )(0.4 )(0.9 ) fm3 at a renormalization scale set by the physical pion mass, also agreeing within the accepted phenomenological range. This work concretely demonstrates that weak transition amplitudes in few-nucleon systems can be studied directly from the fundamental quark and gluon degrees of freedom and opens the way for subsequent investigations of many important quantities in nuclear physics.

  11. Cooperative Jahn-Teller phase transition of icosahedral molecular units

    NASA Astrophysics Data System (ADS)

    Nasrollahi, Seyed H.; Vvedensky, Dimitri D.

    2017-02-01

    Non-linear molecules undergo distortions when the orbital degeneracy of the highest occupied level is lifted by the Jahn-Teller effect. If such molecules or clusters of atoms are coupled to one another, the system may experience a cooperative Jahn-Teller effect (CJTE). In this paper, we describe a model of how the CJTE leads to the crystallization of the disordered phase. The model Hamiltonian is based on a normal mode decomposition of the clusters in order to maintain the symmetry labels. We take account of the electron-strain and the electron-phonon couplings and, by displacing the coordinates of the oscillators, obtain a term that explicitly couples the Jahn-Teller centers, enabling us to perform a mean-field analysis. The calculation of the free energy then becomes straightforward, and obtaining phase diagrams in various regimes follows from the minimization of this free energy. The results show that the character of the phase transition may change from strong to weak first order and even to second-order, depending on the coupling to the vibrational modes. Taken together, these results may serve as a paradigm for crystallization near the transition temperature, where the atoms tend to form clusters of icosahedral symmetry.

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

    Bes, D. R.; Civitarese, O.

    The experimental information on isospin-spin excitations around {sup 58}Ni is analyzed by using isoscalar and isovector pairing vibrations, Gamow-Teller (GT) modes, and their couplings. It is found that the proposed coupling scheme accounts for a sizable amount of the strength associated with isospin-spin excitations, which include transitions to both one- and two-phonon states. The calculations are performed within the framework of perturbation theory, accounting for the renormalization of the charge by the collective GT excitations.

  13. Edward Teller

    Science.gov Websites

    physics, astrophysics, and statistical mechanics. Lawrence Livermore [National Laboratory] physicist Mort towering figures of 20th-century physics. ... Although his early training was in chemical physics and spectroscopy, Teller has made substantial contributions to such diverse fields as nuclear physics, plasma

  14. Andrew Liehr and the structure of Jahn-Teller surfaces

    NASA Astrophysics Data System (ADS)

    Chibotaru, Liviu F.; Iwahara, Naoya

    2017-05-01

    The present article is an attempt to draw attention to a seminal work by Andrew Liehr “Topological aspects of conformational stability problem” [1, 2] issued more than half century ago. The importance of this work stems from two aspects of static Jahn-Teller and pseudo-Jahn-Teller problems fully developed by the author. First, the work of Liehr offers an almost complete overview of adiabatic potential energy surfaces for most known Jahn-Teller problems including linear, quadratic and higher-order vibronic couplings. Second, and most importantly, it identifies the factors defining the structure of Jahn-Teller surfaces. Among them, one should specially mention the minimax principle stating that the distorted Jahn-Teller systems tend to preserve the highest symmetry consistent with the loss of their orbital degeneracy. We believe that the present short reminiscence not only will introduce a key Jahn-Teller scientist to the young members of the community but also will serve as a vivid example of how a complete understanding of a complex problem, which the Jahn-Teller effect certainly was in the beginning of 1960s, can be achieved.

  15. Multimode Jahn-Teller effect in bulk systems: A case of the N V 0 center in diamond

    DOE PAGES

    Zhang, Jianhua; Wang, Cai -Zhuang; Zhu, Zizhong; ...

    2018-04-15

    Here, the multimode Jahn-Teller (JT) effect in a bulk system of a neutral nitrogen-vacancy (NV 0) center in diamond is investigated via first-principles density-functional-theory calculations and the intrinsic distortion path (IDP) method. The adiabatic potential energy surface of the electronic ground state of the NV 0 center is calculated based on the local spin-density approximation. Our calculations confirm the presence of the dynamic Jahn-Teller effect in the ground 2E state of the NV 0 center. Within the harmonic approximation, the IDP method provides the reactive path of JT distortion from unstable high-symmetry geometry to stable low-symmetry energy minimum geometry, andmore » it describes the active normal modes participating in the distortion. We find that there is more than one vibrational mode contributing to the distortion, and their contributions change along the IDP. Several vibrational modes with large contributions to JT distortion, especially those modes close to 44 meV, are clearly observed as the phonon sideband in photoluminescence spectra in a series of experiments, indicating that the dynamic Jahn-Teller effect plays an important role in the optical transition of the NV 0 center.« less

  16. Multimode Jahn-Teller effect in bulk systems: A case of the N V0 center in diamond

    NASA Astrophysics Data System (ADS)

    Zhang, Jianhua; Wang, Cai-Zhuang; Zhu, Zizhong; Liu, Qing Huo; Ho, Kai-Ming

    2018-04-01

    The multimode Jahn-Teller (JT) effect in a bulk system of a neutral nitrogen-vacancy (N V0 ) center in diamond is investigated via first-principles density-functional-theory calculations and the intrinsic distortion path (IDP) method. The adiabatic potential energy surface of the electronic ground state of the N V0 center is calculated based on the local spin-density approximation. Our calculations confirm the presence of the dynamic Jahn-Teller effect in the ground 2E state of the N V0 center. Within the harmonic approximation, the IDP method provides the reactive path of JT distortion from unstable high-symmetry geometry to stable low-symmetry energy minimum geometry, and it describes the active normal modes participating in the distortion. We find that there is more than one vibrational mode contributing to the distortion, and their contributions change along the IDP. Several vibrational modes with large contributions to JT distortion, especially those modes close to 44 meV, are clearly observed as the phonon sideband in photoluminescence spectra in a series of experiments, indicating that the dynamic Jahn-Teller effect plays an important role in the optical transition of the N V0 center.

  17. Multimode Jahn-Teller effect in bulk systems: A case of the N V 0 center in diamond

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

    Zhang, Jianhua; Wang, Cai -Zhuang; Zhu, Zizhong

    Here, the multimode Jahn-Teller (JT) effect in a bulk system of a neutral nitrogen-vacancy (NV 0) center in diamond is investigated via first-principles density-functional-theory calculations and the intrinsic distortion path (IDP) method. The adiabatic potential energy surface of the electronic ground state of the NV 0 center is calculated based on the local spin-density approximation. Our calculations confirm the presence of the dynamic Jahn-Teller effect in the ground 2E state of the NV 0 center. Within the harmonic approximation, the IDP method provides the reactive path of JT distortion from unstable high-symmetry geometry to stable low-symmetry energy minimum geometry, andmore » it describes the active normal modes participating in the distortion. We find that there is more than one vibrational mode contributing to the distortion, and their contributions change along the IDP. Several vibrational modes with large contributions to JT distortion, especially those modes close to 44 meV, are clearly observed as the phonon sideband in photoluminescence spectra in a series of experiments, indicating that the dynamic Jahn-Teller effect plays an important role in the optical transition of the NV 0 center.« less

  18. PREFACE: XXIst International Symposium on the Jahn-Teller Effect 2012

    NASA Astrophysics Data System (ADS)

    Koizumi, Hiroyasu

    2013-04-01

    (The PDF contains the full conference program, the list of sponsors and the conference poster.) The 21st International Symposium on the Jahn-Teller effect was held at the University of Tsukuba, Japan, from 26-31 August 2012. People from 23 different countries participated and the number of registered participants was 118. In this symposium, the phrase 'Jahn-Teller effect' was taken to have a rather broad meaning. We discussed the Jahn-Teller and pseudo Jahn-Teller distortions. We also discussed general vibronic problems, and the problems associated with the conical intersections of the potential energy surfaces. As is indicated in the subtitle of the present symposium, 'Physics and Chemistry of Symmetry Breaking', a number of different topics concerning symmetry breaking were also extensively discussed. In particular, we had many discussions on magnetism, ferroelectricity, and superconductivity. A subtle but important problem that was dealt with was the appearance of multi-valuedness in the use of multi-component wave functions. In the Jahn-Teller problems, we almost always use the multi-component wave functions, thus, the knowledge of the proper handling of multi-valuedness is very important. Digital computers are not good at dealing with multi-valuedness, but we need to somehow handle it in our calculations. A very well known example of successful handling is found in the problem of the molecular system with the conical intersection: we cannot obtain the solution that satisfies the single-valuedness of wave functions (SVWF) just using the potential energy surface generated by a package program, and solving the Schrödinger equation with the quantum Hamiltonian constructed from the classical counterpart by replacing the classical variables with the corresponding operators; however, if a gauge potential is included and the double-valuedness of the electronic wave functions around the conical intersections is taken into account, the solution that satisfies the SVWF

  19. Renner-Teller effects in the photoelectron spectra of CNC, CCN, and HCCN.

    PubMed

    Coudert, Laurent H; Gans, Bérenger; Garcia, Gustavo A; Loison, Jean-Christophe

    2018-02-07

    The line intensity of photoelectron spectra when either the neutral or cationic species display a Renner-Teller coupling is derived and applied to the modeling of the photoelectron spectra of CNC, CCN, and HCCN. The rovibronic energy levels of these three radicals and of their cations are investigated starting from ab initio results. A model treating simultaneously the bending mode and the overall rotation is developed to deal with the quasilinearity problem in CNC + , CCN + , and HCCN and accounts for the large amplitude nature of their bending mode. This model is extended to treat the Renner-Teller coupling in CNC, CCN, and HCCN + . Based on the derived photoelectron line intensity, the photoelectron spectra of all three molecules are calculated and compared to the experimental ones.

  20. Intermediate Nuclear Structure for 2v 2{beta} Decay of {sup 48}Ca Studied by (p, n) and (n, p) Reactions at 300 MeV

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

    Sakai, H.; Yako, K.

    2009-08-26

    Angular distributions of the double differential cross sections for the {sup 48}Ca(p,n) and the {sup 48}Ti(n,p) reactions were measured at 300 MeV. A multipole decomposition technique was applied to the spectra to extract the Gamow-Teller (GT) transition strengths. In the (n, p) spectrum beyond 8 MeV excitation energy extra B(GT{sup +}) strengths which are not predicted by the shell model calculation. This extra B(GT{sup +}) strengths significantly contribute to the nuclear matrix element of the 2v2{beta}-decay.

  1. Impact of electron-captures on nuclei near N = 50 on core-collapse supernovae

    NASA Astrophysics Data System (ADS)

    Titus, R.; Sullivan, C.; Zegers, R. G. T.; Brown, B. A.; Gao, B.

    2018-01-01

    The sensitivity of the late stages of stellar core collapse to electron-capture rates on nuclei is investigated, with a focus on electron-capture rates on 74 nuclei with neutron number close to 50, just above doubly magic 78Ni. It is demonstrated that variations in key characteristics of the evolution, such as the lepton fraction, electron fraction, entropy, stellar density, and in-fall velocity are about 50% due to uncertainties in the electron-capture rates on nuclei in this region, although thousands of nuclei are included in the simulations. The present electron-capture rate estimates used for the nuclei in this high-sensitivity region of the chart of isotopes are primarily based on a simple approximation, and it is shown that the estimated rates are likely too high, by an order of magnitude or more. Electron-capture rates based on Gamow-Teller strength distributions calculated in microscopic theoretical models will be required to obtain better estimates. Gamow-Teller distributions extracted from charge-exchange experiments performed at intermediate energies serve to guide the development and benchmark the models. A previously compiled weak-rate library that is used in the astrophysical simulations was updated as part of the work presented here, by adding additional rate tables for nuclei near stability for mass numbers between 60 and 110.

  2. Spin-isospin excitations from the ground-state of 64Ni

    NASA Astrophysics Data System (ADS)

    Popescu, L.; Adachi, T.; Bäumer, C.; Berg, G. P. A.; van den Berg, A. M.; von Brentano, P.; Frekers, D.; de Frenne, D.; Fujita, K.; Fujita, Y.; Grewe, E. W.; Haefner, P.; Hatanaka, K.; Hunyadi, M.; de Huu, M.; Jacobs, E.; Johansson, H.; Korff, A.; Negret, A.; Nakanishi, K.; von Neumann-Cosel, P.; Rakers, S.; Ryezayeva, N.; Sakemi, Y.; Shevchenko, A.; Shimbara, Y.; Shimizu, Y.; Simon, H.; Tameshige, Y.; Tamii, A.; Uchida, M.; Wörtche, H. J.; Yosoi, M.

    2006-03-01

    Spin-isospin (Gamow-Teller) excitations in 64Cu and 64Co have been studied using (3He,t) and (d,2He) charge-exchange reactions on 64Ni. As the isospin of the 64Ni ground-state is T0=4, states with T=3, 4 and 5 in 64Cu are excited via the (3He,t) reaction and states with T=5 in 64Co via (d,2He). If we assume that the nuclear interaction is charge symmetric, the T=5 states in 64Cu should appear at corresponding excitation energies (if corrected for the Coulomb displacement) and with similar strengths as the T=5 states in 64Co. As in the 64Cu spectrum the T=5 states are very weakly excited, only by combining the results of the two complementary experiments one can estimate the Gamow-Teller strength starting from 64Ni in a consistent way.

  3. Quantifying the effects of higher order coupling terms on fits using a second order Jahn-Teller Hamiltonian

    NASA Astrophysics Data System (ADS)

    Tran, Henry K.; Stanton, John F.; Miller, Terry A.

    2018-01-01

    The limitations associated with the common practice of fitting a quadratic Hamiltonian to vibronic levels of a Jahn-Teller system have been explored quantitatively. Satisfactory results for the prototypical X∼2E‧ state of Li3 are obtained from fits to both experimental spectral data and to an "artificial" spectrum calculated by a quartic Hamiltonian which accurately reproduces the adiabatic potential obtained from state-of-the-art quantum chemistry calculations. However the values of the Jahn-Teller parameters, stabilization energy, and pseudo-rotation barrier obtained from the quadratic fit differ markedly from those associated with the ab initio potential. Nonetheless the RMS deviations of the fits are not strikingly different. Guidelines are suggested for comparing parameters obtained from fits to experiment to those obtained by direct calculation, but a principal conclusion of this work is that such comparisons must be done with a high degree of caution.

  4. Influence of the Renner-Teller Coupling in CO+H Collision Dynamics

    NASA Astrophysics Data System (ADS)

    Ndengue, Steve Alexandre; Dawes, Richard

    2017-06-01

    Carbon monoxide is after molecular hydrogen the second most abundant molecule in the universe and an important molecule for processes occurring in the atmosphere, hydrocarbon combustion and the interstellar medium. The rate coefficients of CO in collision with dominant species like H, H_2, He, etc are necessary to understand the CO emission spectrum or to model combustion chemistry processes. The inelastic scattering of CO with H has been intensively studied theoretically in the past decades,^1 mostly using the so-called WKS PES^6 developed by Werner et al. or recently a modified version by Song et al.^2 Though the spectroscopic agreement of the WKS surface with experiment is quite good, so far the studies of scattering dynamics have neglected coupling to an electronic excited state. We present new results on a set of HCO surfaces of the ground and the excited Renner-Teller coupled electronic states^3 with the principal objective of studying the influence of the Renner-Teller coupling on the inelastic scattering of CO+H. Our calculations done using the MCTDH^4 algorithm in the 0-2 eV energy range allow evaluation of the contribution of the Renner-Teller coupling on the rovibrationally inelastic scattering and discuss the relevance and reliability of the calculations. References:} 1. N. Balakrishnan, M. Yan and A. Dalgarno, Astrophys. J. 568, 443 (2002); B.C. Shepler et al, Astron. & Astroph. 475, L15 (2007); L. Song et al, J. Chem. Phys. 142, 204303 (2015); K.M. Walker et al, Astroph. J. 811, 27 (2015). 2. L. Song et al, Astrophys. J. 813, 96 (2015). 3. H.-M. Keller et al, J. Chem. Phys. 105, 4983 (1996). 4. S. Ndengue, R. Dawes and H. Guo, J. Chem. Phys. 144, 244301 (2016). 5. M.H. Beck et al., Phys. Rep. 324, 1 (2000).

  5. Griffiths' inequalities for Ashkin-Teller model

    NASA Technical Reports Server (NTRS)

    Lee, C. T.

    1973-01-01

    The two Griffiths' (1967) inequalities for the correlation functions of Ising ferromagnets with two-body interactions, and two other inequalities obtained by Kelly and Sherman (1968) and by Sherman (1969) are shown to hold not only for the Ashkin-Teller (1943) model but also for a generalized Ashkin-Teller model (Kihara et al., 1954) with many-body interactions involving arbitrary clusters of particles. A cluster of particles is understood to mean a collection of pairs of particles rather than a group of particles. The four generalized inequalities under consideration are presented in the form of theorems, and a new inequality is obtained.

  6. Teller Award Acceptance Speech (LIRPP Vol. 12)

    NASA Astrophysics Data System (ADS)

    McCrory, Robert L.

    2016-10-01

    It is indeed an honor to receive an award named for such an accomplished and famous physicist who is present with us today, Dr. Edward Teller. In thinking over what to say on this occasion, I noted that the Teller Award was given for pioneering research in controlled fusion, in controlling fusion for the benefit of mankind. I think everyone in this audience certainly would agree that this lofty goal is truly one of the unconquered, grand challenges in applied physics...

  7. Spin-flip isovector giant resonances from the 90Zr(n,p)90Y reaction at 198 MeV

    NASA Astrophysics Data System (ADS)

    Raywood, K. J.; Spicer, B. M.; Yen, S.; Long, S. A.; Moinester, M. A.; Abegg, R.; Alford, W. P.; Celler, A.; Drake, T. E.; Frekers, D.; Green, P. E.; Häusser, O.; Helmer, R. L.; Henderson, R. S.; Hicks, K. H.; Jackson, K. P.; Jeppesen, R. G.; King, J. D.; King, N. S.; Miller, C. A.; Officer, V. C.; Schubank, R.; Shute, G. G.; Vetterli, M.; Watson, J.; Yavin, A. I.

    1990-06-01

    Doubly differential cross sections of the reaction 90Zr(n,p)90Y have been measured at 198 MeV for excitations up to 38 MeV in the residual nucleus. An overall resolution of 1.3 MeV was achieved. The spectra show qualitative agreement in shape and magnitude with recent random phase approximation calculations; however, all of the calculations underestimate the high excitation region of the spectra. A multipole decomposition of the data has been performed using differential cross sections calculated in the distorted-wave impulse approximation. An estimate of the Gamow-Teller strength in the reaction is given. The isovector spin-flip dipole giant resonance has been identified and there is also an indication of isovector monopole strength.

  8. Occupational Noise Exposure among Toll Tellers at Toll Plaza in Malaysia

    NASA Astrophysics Data System (ADS)

    Azmi, Sharifah Nadya Syed; Dawal, Siti Zawiah Md; Ya, Tuan Mohammad Yusoff Shah Tuan; Saidin, Hamidi

    2010-10-01

    Toll tellers working at toll plaza have potential of exposure to high noise from the vehicles especially for the peak level of sound emitted by the heavy vehicles. However, occupational exposures in this workplace have not been adequately characterized and identified. Occupational noise exposure among toll tellers at toll plaza was assessed using Sound Level Meter, Noise Dosimeter and through questionnaire survey. These data were combined to estimate the work shift exposure level and health impacts to the toll tellers by using statistical analysis. Noise Dosimeter microphone was located at the hearing zone of the toll teller which working inside the toll booth and full-period measurements were collected for each work shift. The measurements were taken at 20 toll booths from 6.00 am to 2.00 pm for 5 days. 71 respondents participated in the survey to identify the symptoms of noise induced hearing loss and other health related problems among toll tellers. Results of this study indicated that occupational noise exposure among toll tellers for Mean Continuous Equivalent Level, Leq was 79.2±1.4 dB(A), Mean Maximum Level, Lmax was 107.8±3.6 dB(A) and Mean Peak Level, Lpeak was 136.6±9.9 dB. The Peak Level reported statistically significantly at 140 dB, the level of TLV recommended by ACGIH. The research findings indicated that the primary risk exposure to toll tellers comes from noise that emitted from heavy vehicles. Most of the toll tellers show symptoms of noise induced hearing loss and annoyed by the sources of noise at the toll plaza.

  9. Beta-decay strength and isospin mixing studies in the sd and fp-shells

    NASA Astrophysics Data System (ADS)

    Jokinen, A.; ńystö, J.; Dendooven, P.; Honkanen, A.; Lipas, P.; Peräjärvi, K.; Oinonen, M.; Siiskonen, T.

    1998-12-01

    We have studied beta decays of MT<0 nuclei in sd and fp shells. The decay of 41Ti shows a large, 10(8) %, isospin mixing of IAS and the Gamow-Teller strength is observed to be quenched by a factor of q2=0.64. These results can be reproduced qualitatively in our shell model calculations. We have observed for the first time proton and gamma decay of the isobaric analogue state in 23Mg. Our results on the isospin mixing of the isobaric analogue state agrees well with the shell model calculations. The obtained proton branch of the IAS is used to extract the transition strength for the reaction 22Na(p,γ)23Mg.

  10. 12 CFR 205.16 - Disclosures at automated teller machines.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 12 Banks and Banking 2 2011-01-01 2011-01-01 false Disclosures at automated teller machines. 205.16 Section 205.16 Banks and Banking FEDERAL RESERVE SYSTEM BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM ELECTRONIC FUND TRANSFERS (REGULATION E) § 205.16 Disclosures at automated teller machines. (a...

  11. Beta decay of exotic TZ = -1, -2 nuclei: the interesting case of 56Zn

    NASA Astrophysics Data System (ADS)

    Orrigo, S. E. A.; Rubio, B.; Fujita, Y.; Blank, B.; Gelletly, W.; Agramunt, J.; Algora, A.; Ascher, P.; Bilgier, B.; Cáceres, L.; Cakirli, R. B.; Fujita, H.; Ganioğlu, E.; Gerbaux, M.; Giovinazzo, J.; Grévy, S.; Kamalou, O.; Kozer, H. C.; Kucuk, L.; Kurtukian-Nieto, T.; Molina, F.; Popescu, L.; Rogers, A. M.; Susoy, G.; Stodel, C.; Suzuki, T.; Tamii, A.; Thomas, J. C.

    2014-03-01

    The β decay properties of the Tz = -2, 56Zn isotope and other proton-rich nuclei in the fp-shell have been investigated in an experiment performed at GANIL. The ions were produced in fragmentation reactions and implanted in a double-sided silicon strip detector surrounded by Ge EXOGAM clovers. Preliminary results for 56Zn are presented .The 56Zn decay proceeds mainly by β delayed proton emission, but β delayed gamma rays were also detected. Moreover, the exotic β delayed gamma-proton decay was observed for the first time. The 56Zn half-life and the energy levels populated in the 56Cu daughter have been determined. Knowledge of the gamma de-excitation of the mirror states in 56Co and the comparison with the results of the mirror charge exchange process, the 56Fe(3He,t) reaction (where 56Fe has Tz = +2), were important in the interpretation of the 56Zn decay data. The absolute Fermi and Gamow-Teller strengths have been deduced.

  12. β decay of the exotic Tz=-2 nuclei 48Fe,52Ni , and 56Zn

    NASA Astrophysics Data System (ADS)

    Orrigo, S. E. A.; Rubio, B.; Fujita, Y.; Gelletly, W.; Agramunt, J.; Algora, A.; Ascher, P.; Bilgier, B.; Blank, B.; Cáceres, L.; Cakirli, R. B.; Ganioǧlu, E.; Gerbaux, M.; Giovinazzo, J.; Grévy, S.; Kamalou, O.; Kozer, H. C.; Kucuk, L.; Kurtukian-Nieto, T.; Molina, F.; Popescu, L.; Rogers, A. M.; Susoy, G.; Stodel, C.; Suzuki, T.; Tamii, A.; Thomas, J. C.

    2016-04-01

    The results of a study of the β decays of three proton-rich nuclei with Tz=-2 , namely 48Fe,52Ni , and 56Zn, produced in an experiment carried out at GANIL, are reported. In all three cases we have extracted the half-lives and the total β -delayed proton emission branching ratios. We have measured the individual β -delayed protons and β -delayed γ rays and the branching ratios of the corresponding levels. Decay schemes have been determined for the three nuclei, and new energy levels are identified in the daughter nuclei. Competition between β -delayed protons and γ rays is observed in the de-excitation of the T =2 isobaric analog states in all three cases. Absolute Fermi and Gamow-Teller transition strengths have been determined. The mass excesses of the nuclei under study have been deduced. In addition, we discuss in detail the data analysis taking as a test case 56Zn, where the exotic β -delayed γ -proton decay has been observed.

  13. Spin-isospin excitations from the ground-state of 64Ni

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

    Popescu, L.; Frenne, D. de; Jacobs, E.

    2006-03-13

    Spin-isospin (Gamow-Teller) excitations in 64Cu and 64Co have been studied using (3He,t) and (d,2He) charge-exchange reactions on 64Ni. As the isospin of the 64Ni ground-state is T0=4, states with T=3, 4 and 5 in 64Cu are excited via the (3He,t) reaction and states with T=5 in 64Co via (d,2He). If we assume that the nuclear interaction is charge symmetric, the T=5 states in 64Cu should appear at corresponding excitation energies (if corrected for the Coulomb displacement) and with similar strengths as the T=5 states in 64Co. As in the 64Cu spectrum the T=5 states are very weakly excited, only bymore » combining the results of the two complementary experiments one can estimate the Gamow-Teller strength starting from 64Ni in a consistent way.« less

  14. Occasional Addresses by Edward Teller at Conferences of Laser Interaction and Related Plasma Phenomena (LIRPP)

    NASA Astrophysics Data System (ADS)

    Hora, Heinrich; Miley, George H.

    2016-10-01

    The following sections are included: * Futurology of High Intensity Lasers (LIRPP Vol. 3A) * Lecture in Connection with the Edward Teller Medal Award (LIRPP Vol. 10) * Photo of the First Recipients of the Edward Teller Medal in 1991 * Photos from the Edward Teller Medal Celebration in 1997 * Photo with Participants of the LIRPP No. 12 Conference, 1995 * Photo with Edward Teller Medalists at IFSA01, Kyoto, 2001 * Keynote Address: The Edward Teller Lecture (LIRPP Vol. 11) * Keynote Address: Dr. Edward Teller (LIRPP Vol. 12) * Teller Award Presentation and Keynote Address (LIRPP Vol. 13) * Laudations of Awardees 1991-1995 (LIRPP Vol. 13) * Laudations of Awardees 1999-2003

  15. Universal Teller Curriculum Guide.

    ERIC Educational Resources Information Center

    DuPage Area Vocational Education Authority, Addison, IL.

    This curriculum guide has been designed to provide the teacher with a basis for planning a comprehensive program in the career field of universal teller, and to allow the teacher and learner maximum flexibility. The teaching or instruction, in both educational and financial institutions, can be accomplished through large formal groups, small…

  16. The vibrational Jahn-Teller effect in E⊗e systems

    NASA Astrophysics Data System (ADS)

    Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S.

    2015-10-01

    The Jahn-Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH3CN and Cr(C6H6)(CO)3, the global minimum of the non-degenerate electronic potential energy surface occurs at the C3v geometry, but in CH3OH, the equilibrium geometry is far from the C3v reference geometry. In the former cases, the computed spontaneous Jahn-Teller distortion is exceptionally small. In methanol, the vibrational Jahn-Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν2 and ν9 vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn-Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH3OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.

  17. Jahn-Teller crystals - new class of smart materials

    NASA Astrophysics Data System (ADS)

    Kaplan, M. D.; Zimmerman, G. O.

    2017-05-01

    Jahn-Teller crystals represent a promising class in the search for new smart materials. Jahn- Teller multiferroics are of a special interest. We show that the properties of these crystals are not only “of interest for future applications”, but are already used and protected by various patents. Special attention is paid to some new results on magnetic shape memory effects in dielectrics because the physics of the corresponding materials is not yet completely clarified.

  18. Surface Meteorology at Teller Site Stations, Seward Peninsula, Alaska, Ongoing from 2016

    DOE Data Explorer

    Bob Busey; Bob Bolton; Cathy Wilson; Lily Cohen

    2017-12-05

    Meteorological data are currently being collected at two locations at the Teller Site, Seward Peninsula. Teller Creek Station near TL_BSV (TELLER BOTTOM METEOROLOGICAL STATION) Station is located in the lower watershed in a tussock / willow transition zone and co-located with continuous snow depth measurements and subsurface measurements. Teller Creek Station near TL_IS_5 (TELLER TOP METEOROLOGICAL STATION) Station is located in the upper watershed and co-located with continuous snow depth measurements and subsurface measurements. Two types of data products are provided for these stations: First, meteorological and site characterization data grouped by sensor/measurement type (e.g., radiation or soil pit temperature and moisture). These are *.csv files. Second, a Data Visualization tool is provided for quick visualization of measurements over time at a station. Download the *_Visualizer.zip file, extract, and click on the 'index.html' file. Data values are the same in both products.

  19. Jahn-Teller effect versus Hund's rule coupling in C60N-

    NASA Astrophysics Data System (ADS)

    Wehrli, S.; Sigrist, M.

    2007-09-01

    We propose variational states for the ground state and the low-energy collective rotator excitations in negatively charged C60N- ions (N=1,…,5) . The approach includes the linear electron-phonon coupling and the Coulomb interaction on the same level. The electron-phonon coupling is treated within the effective mode approximation which yields the linear t1u⊗Hg Jahn-Teller problem whereas the Coulomb interaction gives rise to Hund’s rule coupling for N=2,3,4 . The Hamiltonian has accidental SO(3) symmetry which allows an elegant formulation in terms of angular momenta. Trial states are constructed from coherent states and using projection operators onto angular momentum subspaces which results in good variational states for the complete parameter range. The evaluation of the corresponding energies is to a large extent analytical. We use the approach for a detailed analysis of the competition between Jahn-Teller effect and Hund’s rule coupling, which determines the spin state for N=2,3,4 . We calculate the low-spin-high-spin gap for N=2,3,4 as a function of the Hund’s rule coupling constant J . We find that the experimentally measured gaps suggest a coupling constant in the range J=60-80meV . Using a finite value for J , we recalculate the ground state energies of the C60N- ions and find that the Jahn-Teller energy gain is partly counterbalanced by the Hund’s rule coupling. In particular, the ground state energies for N=2,3,4 are almost equal.

  20. The Phenalenyl Free Radical - a Jahn-Teller D3H PAH

    NASA Astrophysics Data System (ADS)

    O'Connor, G. D.; Troy, T. P.; Roberts, D. A.; Chalyavi, N.; Fückel, B.; Crossley, M. J.; Nauta, K.; Schmidt, T. W.; Stanton, J. F.

    2012-06-01

    After benzene and naphthalene, the smallest polycyclic aromatic hydrocarbon bearing six-membered rings is the threefold-symmetric phenalenyl radical. Despite the fact that it is so fundamental, its electronic spectroscopy has not been rigorously scrutinized, in spite of growing interest in graphene fragments for molecular electronic applications. Here we used complementary laser spectroscopic techniques to probe the jet-cooled phenalenyl radical in vacuo. Its spectrum reveals the interplay between four electronic states that exhibit Jahn-Teller and pseudo-Jahn-Teller (Herzberg-Teller) vibronic coupling. The coupling mechanism has been elucidated by the application of various ab initio quantum-chemical techniques.

  1. Bethe, Oppenheimer, Teller and the Fermi Award: Norris Bradbury Speaks

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

    Meade, Roger Allen

    In 1956 the Enrico Fermi Presidential Award was established to recognize scientists, engineers, and science policymakers who gave unstintingly over their careers to advance energy science and technology. The first recipient was John von Neumann. .1 Among those scientists who were thought eligible for the award were Hans Bethe, J. Robert Oppenheimer, and Edward Teller. In 1959 Norris Bradbury was asked to comment on the relative merits of each these three men, whom he knew well from their affiliation with Los Alamos. Below is a reproduction of the letter Bradbury sent to Dr. Warren C. Johnson of the AEC’s Generalmore » Advisory Committee(GAC) containing his evaluation of each man. The letter might surprise those not accustomed to Bradbury’s modus operandi of providing very detailed and forthright answers to the AEC. The letter, itself, was found in cache of old microfilm. Whether because of the age of the microfilm or the quality of the filming process, portions of the letter are not legible. Where empty brackets appear, the word or words could not be read or deduced. Words appearing in brackets are guesses that appear, from the image, to be what was written. These guesses, of course, are just that – guesses.« less

  2. The Renner-Teller effect in HCCCl(+)(X̃(2)Π) studied by zero-kinetic energy photoelectron spectroscopy and ab initio calculations.

    PubMed

    Sun, Wei; Dai, Zuyang; Wang, Jia; Mo, Yuxiang

    2015-05-21

    The spin-vibronic energy levels of the chloroacetylene cation up to 4000 cm(-1) above the ground state have been measured using the one-photon zero-kinetic energy photoelectron spectroscopic method. The spin-vibronic energy levels have also been calculated using a diabatic model, in which the potential energy surfaces are expressed by expansions of internal coordinates, and the Hamiltonian matrix equation is solved using a variational method with harmonic basis functions. The calculated spin-vibronic energy levels are in good agreement with the experimental data. The Renner-Teller (RT) parameters describing the vibronic coupling for the H-C≡C bending mode (ε4), Cl-C≡C bending mode (ε5), the cross-mode vibronic coupling (ε45) of the two bending vibrations, and their vibrational frequencies (ω4 and ω5) have also been determined using an effective Hamiltonian matrix treatment. In comparison with the spin-orbit interaction, the RT effect in the H-C≡C bending (ε4) mode is strong, while the RT effect in the Cl-C≡C bending mode is weak. There is a strong cross-mode vibronic coupling of the two bending vibrations, which may be due to a vibronic resonance between the two bending vibrations. The spin-orbit energy splitting of the ground state has been determined for the first time and is found to be 209 ± 2 cm(-1).

  3. Effective axial-vector strength and β-decay systematics

    NASA Astrophysics Data System (ADS)

    Delion, D. S.; Suhonen, J.

    2014-09-01

    We use the weak axial-vector coupling strength g_{\\text{A}} as a key parameter to reproduce simultaneously the available data for both the Gamow-Teller \\beta^- and \\beta^+/\\text{EC} decay rates in nine triplets of isobars with mass numbers A=70,78,100,104,106,110,116,128,130 . We use the proton-neutron quasiparticle random-phase approximation (pnQRPA) with schematic dipole interaction containing particle-particle and particle-hole parts with mass-dependent strengths. Our analysis points to a strongly quenched effective value g_{\\text{A}}\\approx 0.3 , with a relative error of 28%. We then perform a systematic computation of 218 experimentally known \\beta^- and \\beta^+/\\text{EC} decays with quite a remarkable success. The presently extracted value of g_{\\text{A}} should be taken as an effective one, specific for a given nuclear theory framework. Present studies suggest that the effective g_{\\text{A}} is suitable for the description of decay transitions to 1^+ states at moderate excitation, below the Gamow-Teller giant resonance region.

  4. Precision experiments on mirror transitions at Notre Dame

    NASA Astrophysics Data System (ADS)

    Brodeur, Maxime; TwinSol Collaboration

    2016-09-01

    Thanks to extensive experimental efforts that led to a precise determination of important experimental quantities of superallowed pure Fermi transitions, we now have a very precise value for Vud that leads to a stringent test of the CKM matrix unitarity. Despite this achievement, measurements in other systems remain relevant as conflicting results could uncover unknown systematic effects or even new physics. One such system is the superallowed mixed transition, which can help refine theoretical corrections used for pure Fermi transitions and improve the accuracy of Vud. However, as a corrected Ft-value determination from these systems requires the more challenging determination of the Fermi Gamow-Teller mixing ratio, only five transitions, spreading from 19Ne to 37Ar, are currently fully characterized. To rectify the situation, an experimental program on precision experiment of mirror transitions that includes precision half-life measurements, and in the future, the determination of the Fermi Gamow-Teller mixing ratio, has started at the University of Notre Dame. This work is supported in part by the National Science Foundation.

  5. Nonequilibrium phase transitions in isotropic Ashkin-Teller model

    NASA Astrophysics Data System (ADS)

    Akıncı, Ümit

    2017-03-01

    Dynamic behavior of an isotropic Ashkin-Teller model in the presence of a periodically oscillating magnetic field has been analyzed by means of the mean field approximation. The dynamic equation of motion has been constructed with the help of a Glauber type stochastic process and solved for a square lattice. After defining the possible dynamical phases of the system, phase diagrams have been given and the behavior of the hysteresis loops has been investigated in detail. The hysteresis loop for specific order parameter of isotropic Ashkin-Teller model has been defined and characteristics of this loop in different dynamical phases have been given.

  6. Structure of the two-neutrino double-β decay matrix elements within perturbation theory

    NASA Astrophysics Data System (ADS)

    Štefánik, Dušan; Šimkovic, Fedor; Faessler, Amand

    2015-06-01

    The two-neutrino double-β Gamow-Teller and Fermi transitions are studied within an exactly solvable model, which allows a violation of both spin-isospin SU(4) and isospin SU(2) symmetries, and is expressed with generators of the SO(8) group. It is found that this model reproduces the main features of realistic calculation within the quasiparticle random-phase approximation with isospin symmetry restoration concerning the dependence of the two-neutrino double-β decay matrix elements on isovector and isoscalar particle-particle interactions. By using perturbation theory an explicit dependence of the two-neutrino double-β decay matrix elements on the like-nucleon pairing, particle-particle T =0 and T =1 , and particle-hole proton-neutron interactions is obtained. It is found that double-β decay matrix elements do not depend on the mean field part of Hamiltonian and that they are governed by a weak violation of both SU(2) and SU(4) symmetries by the particle-particle interaction of Hamiltonian. It is pointed out that there is a dominance of two-neutrino double-β decay transition through a single state of intermediate nucleus. The energy position of this state relative to energies of initial and final ground states is given by a combination of strengths of residual interactions. Further, energy-weighted Fermi and Gamow-Teller sum rules connecting Δ Z =2 nuclei are discussed. It is proposed that these sum rules can be used to study the residual interactions of the nuclear Hamiltonian, which are relevant for charge-changing nuclear transitions.

  7. The ÖX˜ absorption of vinoxy radical revisited: Normal and Herzberg-Teller bands observed via cavity ringdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Thomas, Phillip S.; Chhantyal-Pun, Rabi; Kline, Neal D.; Miller, Terry A.

    2010-03-01

    The ÖX˜ electronic absorption spectrum of vinoxy radical has been investigated using room temperature cavity ringdown spectroscopy. Analysis of the observed bands on the basis of computed vibrational frequencies and rotational envelopes reveals that two distinct types of features are present with comparable intensities. The first type corresponds to "normal" allowed electronic transitions to the origin and symmetric vibrations in the à state. The second type is interpreted in terms of excitations to asymmetric à state vibrations, which are only vibronically allowed by Herzberg-Teller coupling to the B˜ state. Results of electronic structure calculations indicate that the magnitude of the Herzberg-Teller coupling is appropriate to produce vibronically induced transitions with intensities comparable to those of the normal bands.

  8. Perturbatively deformed defects in Pöschl-Teller-driven scenarios for quantum mechanics

    NASA Astrophysics Data System (ADS)

    Bernardini, Alex E.; da Rocha, Roldão

    2016-07-01

    Pöschl-Teller-driven solutions for quantum mechanical fluctuations are triggered off by single scalar field theories obtained through a systematic perturbative procedure for generating deformed defects. The analytical properties concerning the quantum fluctuations in one-dimension, zero-mode states, first- and second-excited states, and energy density profiles are all obtained from deformed topological and non-topological structures supported by real scalar fields. Results are firstly derived from an integrated λϕ4 theory, with corresponding generalizations applied to starting λχ4 and sine-Gordon theories. By focusing our calculations on structures supported by the λϕ4 theory, the outcome of our study suggests an exact quantitative correspondence to Pöschl-Teller-driven systems. Embedded into the perturbative quantum mechanics framework, such a correspondence turns into a helpful tool for computing excited states and continuous mode solutions, as well as their associated energy spectrum, for quantum fluctuations of perturbatively deformed structures. Perturbative deformations create distinct physical scenarios in the context of exactly solvable quantum systems and may also work as an analytical support for describing novel braneworld universes embedded into a 5-dimensional gravity bulk.

  9. Underlying theory of a model for the Renner-Teller effect in tetra-atomic molecules: X(2)Πu electronic state of C2H2(+).

    PubMed

    Perić, M; Jerosimić, S; Mitić, M; Milovanović, M; Ranković, R

    2015-05-07

    In the present study, we prove the plausibility of a simple model for the Renner-Teller effect in tetra-atomic molecules with linear equilibrium geometry by ab initio calculations of the electronic energy surfaces and non-adiabatic matrix elements for the X(2)Πu state of C2H2 (+). This phenomenon is considered as a combination of the usual Renner-Teller effect, appearing in triatomic species, and a kind of the Jahn-Teller effect, similar to the original one arising in highly symmetric molecules. Only four parameters (plus the spin-orbit constant, if the spin effects are taken into account), which can be extracted from ab initio calculations carried out at five appropriate (planar) molecular geometries, are sufficient for building up the Hamiltonian matrix whose diagonalization results in the complete low-energy (bending) vibronic spectrum. The main result of the present study is the proof that the diabatization scheme, hidden beneath the apparent simplicity of the model, can safely be carried out, at small-amplitude bending vibrations, without cumbersome computation of non-adiabatic matrix elements at large number of molecular geometries.

  10. Theoretical Study of the Jahn-Teller effect in CH3CN+ (X2E) and CD3CN+ (X2E): multimode spin-vibronic energy level calculations.

    PubMed

    Zhang, Shiyang; Mo, Yuxiang

    2009-10-15

    The spin-vibronic energy levels for CH(3)CN(+)(X(2)E) and CD(3)CN(+)(X(2)E) have been calculated using a diabatic model including multimode vibronic couplings and spin-orbit interaction without adjusting any parameter. The diabatic potential energy surfaces are represented by the Taylor expansions including linear, quadratic and bilinear vibronic coupling terms. The normal coordinates used in the Taylor expansion were expressed by the mass-weighted Cartesian coordinates. The adiabatic potential energy surfaces for CH(3)CN(+) and CD(3)CN(+) were calculated at the level of CASPT2/cc-pvtz, and the spin-orbit coupling constant was calculated at the level of MRCI/CAS/cc-pvtz. The spin-orbit energy splittings for the ground vibrational states of CH(3)CN(+)(X(2)E) and CD(3)CN(+)(X(2)E) are 20 and 16 cm(-1), respectively, which are resulted from the quenching of the spin-orbit coupling strength of 51 cm(-1). The calculated spin-vibronic levels are in good agreement with the experimental data. The calculation results show that the Jahn-Teller effects in CH(3)CN(+)(X(2)E) and CD(3)CN(+)(X(2)E) are essential to understand their spin-vibronic energy structure.

  11. First-Principles Study of the Jahn-Teller Distortion in the Ti1-XVXH2 and Zr1-XNbxH2 Alloys

    NASA Astrophysics Data System (ADS)

    Quijano, Ramiro; de Coss, Romeo; Singh, David

    2008-03-01

    The transition metal dihydrides TiH2 and ZrH2 present the fluorite structure (CaF2) at high temperature but undergoes a tetragonal distortion with c/a<1 at low temperature. Electronic band structure calculations have shown that TiH2 and ZrH2 in the cubic phase display a very flat band at the Fermi level. Thus the low temperature tetragonal distortion has been associated to a Jahn-Teller effect. In order to understand the role of band filling in controlling the structural instability of the transition metal dihydrides, we have performed a first-principles total energy study of the Ti1-XVxH2 and Zr1-xNbxH2 alloys. The calculations were performed using FP-LAPW method within the (DFT) and we use the GGA for exchange correlation functional energy. The critical concentration for which the Jahn-Teller effect is suppressed, was determined from the evolution of the tetragonal-cubic energy barrier. We discuss the electronic mechanism of the structural-instability, in terms of the band filling. From the obtained results we conclude that the tetragonal distortion in TiH2 and ZrH2 is not produced only by a Jahn-Teller Effect. This research was supported by Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grant No. 43830-F.

  12. 12 CFR 328.4 - Prohibition against receiving deposits at same teller station or window as noninsured institution.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... teller station or window as noninsured institution. 328.4 Section 328.4 Banks and Banking FEDERAL DEPOSIT... Prohibition against receiving deposits at same teller station or window as noninsured institution. (a) Prohibition. An insured depository institution may not receive deposits at any teller station or window where...

  13. A study of the Fermi (0+) transition in {sup 14}C(p,n){sup 14}N at 495 MeV

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

    Cooper, D.A.; Delucia, S.L.; Luther, B.A.

    1995-10-01

    Differential cross sections and analyzing powers have been measured for the {sup 14}C(p,n) {sup 14}N (IAS) reaction with a proton energy of 495 MeV and an angular distribution of 0{sub lab} = 0{degrees} to 10{degrees} (q = 0.0 to 0.956 fm{sup -1}) at the LAMPF Neutron Time-of-Flight Facility (NTOF). Previous A, results for targets with mixed Fermi and Gamow-Teller (AJ{close_quote} = 0+ and 1+) transitions are not well re-produced with either DWIA of RIA calculations. The {open_quotes}C target offers the best opportunity to study a Fermi transition (2.31 MeV) separated from the nearest GT strength (3.95 MeV). The results comparemore » favorably with calculations. These will be presented, and the implications for mixed transitions will be discussed.« less

  14. Bcc and Fcc transition metals and alloys: a central role for the Jahn-Teller effect in explaining their ideal and distorted structures.

    PubMed

    Lee, Stephen; Hoffmann, Roald

    2002-05-01

    Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.

  15. High Precision Determination of the β Decay QEC Value of 11C and Implications on the Tests of the Standard Model

    NASA Astrophysics Data System (ADS)

    Gulyuz, K.; Bollen, G.; Brodeur, M.; Bryce, R. A.; Cooper, K.; Eibach, M.; Izzo, C.; Kwan, E.; Manukyan, K.; Morrissey, D. J.; Naviliat-Cuncic, O.; Redshaw, M.; Ringle, R.; Sandler, R.; Schwarz, S.; Sumithrarachchi, C. S.; Valverde, A. A.; Villari, A. C. C.

    2016-01-01

    We report the determination of the QEC value of the mirror transition of 11C by measuring the atomic masses of 11C and 11B using Penning trap mass spectrometry. More than an order of magnitude improvement in precision is achieved as compared to the 2012 Atomic Mass Evaluation (Ame2012) [Chin. Phys. C 36, 1603 (2012)]. This leads to a factor of 3 improvement in the calculated F t value. Using the new value, QEC=1981.690 (61 ) keV , the uncertainty on F t is no longer dominated by the uncertainty on the QEC value. Based on this measurement, we provide an updated estimate of the Gamow-Teller to Fermi mixing ratio and standard model values of the correlation coefficients.

  16. High Precision Determination of the β Decay Q(EC) Value of (11)C and Implications on the Tests of the Standard Model.

    PubMed

    Gulyuz, K; Bollen, G; Brodeur, M; Bryce, R A; Cooper, K; Eibach, M; Izzo, C; Kwan, E; Manukyan, K; Morrissey, D J; Naviliat-Cuncic, O; Redshaw, M; Ringle, R; Sandler, R; Schwarz, S; Sumithrarachchi, C S; Valverde, A A; Villari, A C C

    2016-01-08

    We report the determination of the Q(EC) value of the mirror transition of (11)C by measuring the atomic masses of (11)C and (11)B using Penning trap mass spectrometry. More than an order of magnitude improvement in precision is achieved as compared to the 2012 Atomic Mass Evaluation (Ame2012) [Chin. Phys. C 36, 1603 (2012)]. This leads to a factor of 3 improvement in the calculated Ft value. Using the new value, Q(EC)=1981.690(61)  keV, the uncertainty on Ft is no longer dominated by the uncertainty on the Q(EC) value. Based on this measurement, we provide an updated estimate of the Gamow-Teller to Fermi mixing ratio and standard model values of the correlation coefficients.

  17. The complete set of spin observables for the (13)C(polarized proton, polarized neutron)(13)N and (15)N(polarized proton, polarized neutron)(15)O reactions

    NASA Astrophysics Data System (ADS)

    Du, Qun Qun

    1998-12-01

    The 13C(p,n)13N and 15N(p,n)15O reactions have been a puzzle for more than ten years. The ground state transitions are Jπ=1/2- to Jπ=1/2-. These are 'mixed' transitions because they can involve quantum number changes either (/Delta T=1,/ /Delta J=0,/ /Delta/pi=0,/ /Delta S=0), or (/Delta T=1,/ /Delta J=1,/ /Delta/pi=0,/ /Delta S=1); these quantum number changes are refered to as 'Fermi' and 'Gamow-Teller' respectively. Because the quantum number changes are the same as for Fermi and Gamow-Teller beta decay. From the systematics of (p,n) and (n,p) reactions on pure Fermi transitions (e.g. 0 + to 0+) and pure Gamow-Teller transitions (e.g. 0+ to 1+), calibrations have been established of cross section per unit B(F) or unit B(GT), where 'B' refers to doubly reduced matrix elements extracted from beta decay. However, cross sections for the 13C(p,n)13N(g.s.) and 15N(p,n)15O(g.s.) reactions are substantially larger than one would then predict from the known B(F)s and B(GT)s for these transitions. To explore this anomaly, spin observables were used to extract separately the Fermi and Gamow-Teller cross sections for these reactions. To acquire the complete sets of polarization- transfer observables, a new neutron polarimeter was designed, built, commissioned and calibrated. This polarimeter, call the '2π polarimeter' because of its complete azimuthal coverage for scattered neutrons, has very good position and timing resolution (354 ps). The complete sets of spin-transfer coefficients Dij for 13C(p,n)13N (at 0o , 5.5o , and 11o ) and 15N(p,n)15O (at 0o ) at 135 MeV were measured. Following the formalism of Ichimura and Kawahigashi, we extracted the spin-longitudinal, and spin-transverse and spin-independent responses D0,/ Dq,/ Dn and Dp from the measured Dijs. The F and GT fractions of the (p,n) cross sections are then extracted as f F=D0 and fGT=Dn+Dp+Dq=1- d0. Values of Dk for both the 13C(p,n)13N(g.s) and 15N(p,n)15O(g.s.) were extracted. From these responses, we

  18. Dynamic Jahn-Teller effect in the parent insulating state of the molecular superconductor Cs₃C₆₀.

    PubMed

    Klupp, Gyöngyi; Matus, Péter; Kamarás, Katalin; Ganin, Alexey Y; McLennan, Alec; Rosseinsky, Matthew J; Takabayashi, Yasuhiro; McDonald, Martin T; Prassides, Kosmas

    2012-06-19

    The 'expanded fulleride' Cs(3)C(60) is an antiferromagnetic insulator in its normal state and becomes a molecular superconductor with T(c) as high as 38 K under pressure. There is mounting evidence that superconductivity is not of the conventional BCS type and electron-electron interactions are essential for its explanation. Here we present evidence for the dynamic Jahn-Teller effect as the source of the dramatic change in electronic structure occurring during the transition from the metallic to the localized state. We apply infrared spectroscopy, which can detect subtle changes in the shape of the C(60)3- ion due to the Jahn-Teller distortion. The temperature dependence of the spectra in the insulating phase can be explained by the gradual transformation from two temperature-dependent solid-state conformers to a single one, typical and unique for Jahn-Teller systems. These results unequivocally establish the relevance of the dynamic Jahn-Teller effect to overcoming Hund's rule and forming a low-spin state, leading to a magnetic Mott-Jahn-Teller insulator.

  19. Ab initio EPR parameters for dangling-bond defect complexes in silicon: Effect of Jahn-Teller distortion

    NASA Astrophysics Data System (ADS)

    Pfanner, Gernot; Freysoldt, Christoph; Neugebauer, Jörg; Gerstmann, Uwe

    2012-05-01

    A dangling bond (db) is an important point defect in silicon. It is realized in crystalline silicon by defect complexes of the monovacancy V with impurities. In this work, we present spin-polarized density-functional theory calculations of EPR parameters (g and hyperfine tensors) within the GIPAW formalism for two kinds of db defect complexes. The first class characterizes chemically saturated db systems, where three of the four dangling bonds of the isolated vacancy are saturated by hydrogen (VH3) or hydrogen and oxygen (hydrogen-oxygen complex, VOH). The second kind of db consists of systems with a Jahn-Teller distortion, where the vacancy includes either a substitutional phosphorus atom (the E center, VP) or a single hydrogen atom (VH). For all systems we obtain excellent agreement with available experimental data, and we are therefore able to quantify the effect of the Jahn-Teller distortion on the EPR parameters. Furthermore we study the influence of strain to obtain further insights into the structural and electronic characteristics of the considered defects.

  20. Optimized unconventional superconductivity in a molecular Jahn-Teller metal

    PubMed Central

    Zadik, Ruth H.; Takabayashi, Yasuhiro; Klupp, Gyöngyi; Colman, Ross H.; Ganin, Alexey Y.; Potočnik, Anton; Jeglič, Peter; Arčon, Denis; Matus, Péter; Kamarás, Katalin; Kasahara, Yuichi; Iwasa, Yoshihiro; Fitch, Andrew N.; Ohishi, Yasuo; Garbarino, Gaston; Kato, Kenichi; Rosseinsky, Matthew J.; Prassides, Kosmas

    2015-01-01

    Understanding the relationship between the superconducting, the neighboring insulating, and the normal metallic state above Tc is a major challenge for all unconventional superconductors. The molecular A3C60 fulleride superconductors have a parent antiferromagnetic insulator in common with the atom-based cuprates, but here, the C603– electronic structure controls the geometry and spin state of the structural building unit via the on-molecule Jahn-Teller effect. We identify the Jahn-Teller metal as a fluctuating microscopically heterogeneous coexistence of both localized Jahn-Teller–active and itinerant electrons that connects the insulating and superconducting states of fullerides. The balance between these molecular and extended lattice features of the electrons at the Fermi level gives a dome-shaped variation of Tc with interfulleride separation, demonstrating molecular electronic structure control of superconductivity. PMID:26601168

  1. Anisotropic orbital occupation and Jahn-Teller distortion of orthorhombic YMnO{sub 3} epitaxial films: A combined experimental and theoretical study on polarization-dependent x-ray absorption spectroscopy

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

    Haw, Shu-Chih; Chen, Shin-Ann; National Synchrotron Radiation Research Center

    2014-04-21

    The b-axis oriented orthorhombic YMnO{sub 3} (o-YMnO{sub 3}) epitaxial films on a YAlO{sub 3} (010) substrate were fabricated with pulsed-laser deposition. The anisotropic orbital occupation and Jahn-Teller (JT) distortion of an o-YMnO{sub 3} film were investigated with polarization-dependent x-ray absorption spectra and configuration-interaction multiplet-cluster calculations. A significant energy difference, ∼3.8 eV, for the main white line along E//b and E//a in polarization-dependent Mn K-edge spectra of o-YMnO{sub 3} indicates an extraordinary JT distortion and significant anisotropic Mn–O bonding within the ab plane in the o-YMnO{sub 3} film. Most importantly, although the orbital occupation of 3d electrons in o-YMnO{sub 3} filmsmore » is almost the same as that in single crystalline o-DyMnO{sub 3}, the JT distortion of o-YMnO{sub 3} films is larger than that of single crystalline o-DyMnO{sub 3}, deduced from the multiplet calculations. We speculate that this JT distortion predominantly contributes to the origin of the cycloidal spin deformation in bulk o-YMnO{sub 3}, because of a suppressed nearest-neighbor superexchange interaction and an enhanced next-nearest-neighbor superexchange interaction. These complementary results provide insight into the origin of the E-type magnetic configuration of o-YMnO{sub 3}.« less

  2. Task clarification, performance feedback, and social praise: Procedures for improving the customer service of bank tellers

    PubMed Central

    Crowell, Charles R.; Anderson, D. Chris; Abel, Dawn M.; Sergio, Joseph P.

    1988-01-01

    Customer service for bank tellers was defined in terms of 11 verbal behavior categories. An audio-recording system was used to track the occurrence of behaviors in these categories for six retail banking tellers. Three behavior management interventions (task clarification, performance feedback, and social praise), applied in sequence, were designed to improve overall teller performance with regard to the behavioral categories targeted. Clarification was accomplished by providing clear delineation of the various target categories, with specific examples of the behaviors in each. Feedback entailed presentation of ongoing verbal and visual information regarding teller performance. Praise consisted of verbal recognition of teller performance by branch managers. Results showed that clarification effects emerged quickly, producing an overall increase in desired behaviors of 12% over baseline. Feedback and praise effects occurred more gradually, resulting in overall increases of 6% and 7%, respectively. A suspension of all procedures led to a decline in overall performance, whereas reinstatement of feedback and praise was again accompanied by performance improvement. These findings extend the generality of behavior management applications and help to distinguish between possible antecedent and consequent effects of performance feedback. PMID:16795713

  3. Astrophysical Impact of the Updated 9Be(p,α)6Li and 10B(p,α)7Be Reaction Rates As Deduced By THM

    NASA Astrophysics Data System (ADS)

    Lamia, L.; Spitaleri, C.; Tognelli, E.; Degl'Innocenti, S.; Pizzone, R. G.; Prada Moroni, P. G.

    2015-10-01

    The complete understanding of the stellar abundances of lithium, beryllium, and boron represents one of the most interesting open problems in astrophysics. These elements are largely used to probe stellar structure and mixing phenomena in different astrophysical scenarios, such as pre-main-sequence or main-sequence stars. Their different fragility against (p,α) burning reactions allows one to investigate different depths of the stellar interior. Such fusion mechanisms are triggered at temperatures between T ≈ (2-5) × {10}6 K, thus defining a corresponding Gamow energy between ≈ 3-10 keV, where S(E)-factor measurements need to be performed to get reliable reaction rate evaluations. The Trojan Horse Method is a well defined procedure to measure cross sections at Gamow energies overcoming the uncertainties due to low-energy S(E)-factor extrapolation as well as electron screening effects. Taking advantage of the {\\mathtt{THM}} measure of the 9Be(p,α)6Li and 10B(p,α)7Be cross sections, the corresponding reaction rates have been calculated and compared with the evaluations by the NACRE collaboration, widely used in the literature. The impact on surface abundances of the updated 9Be and 10B (p,α) burning rates is discussed for pre-MS stars.

  4. Science and Technology Review, July-August 1998: Celebrating Edward Teller at 90

    DOE R&D Accomplishments Database

    Smart, J.

    1998-07-01

    On the occasion of Edward Teller's 90th birthday, Science and Technology Review (S&TR) has the pleasure of honoring Lawrence Livermore's co-founder and most influential scientist. Teller is known for his inventive work in physics, his concepts leading to thermonuclear explosions, and his strong stands on such issues as science education, the nation's strategic defense, the needs for science in the future, and sharing scientific information. The articles in this issue also show him, as always, tirelessly moving forward with his new and changing interests.

  5. Origin of a sensitive dependence of calculated {beta}{beta}-decay amplitudes on the particle-particle residual interaction

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

    Rodin, Vadim; Faessler, Amand

    2011-07-15

    In the present work the sensitivity of calculated {beta}{beta}-decay amplitudes to a realistic residual interaction is analyzed in the framework of the approach of O. A. Rumyantsev and M. H. Urin, Phys. Lett. B 443, 51 (1998). and V. A. Rodin, M. H. Urin, and A. Faessler, Nucl. Phys. A 747, 297 (2005). Both the Gamow-Teller (GT) and Fermi (F) matrix elements M{sup 2}{nu} for two-neutrino {beta}{beta} decay (2{nu}{beta}{beta} decay), along with the monopole transition contributions to the total matrix elements M{sup 0{nu}} of neutrinoless {beta}{beta} decay (0{nu}{beta}{beta} decay), are calculated within the quasiparticle random-phase approximation (QRPA). In the aforementionedmore » approach decompositions of M{sup 2{nu}} and M{sup 0{nu}} can be obtained in terms of the corresponding energy-weighted sum rules S. It is shown that in most of the cases almost the whole dependence of M{sup 2{nu}} and M{sup 0{nu}} on the particle-particle (p-p) renormalization parameter g{sub pp} is accounted for by the g{sub pp} dependence of the corresponding sum rules S. General expressions relating S to a realistic residual particle-particle interaction are derived, which show a pronounced sensitivity of S to the singlet-channel interaction in the case of F transitions and to the triplet-channel interaction in the case of GT transitions. Thus, the sensitivity of M{sup 2{nu}} and M{sup 0{nu}} to the SU(4)-symmetry-breaking part of the p-p residual interaction is dictated by the generic structure of the {beta}{beta}-decay amplitudes. Therefore, a choice of this part in a particular calculation needs a special caution. Finally, a better isospin-consistent way of renormalization of a realistic residual p-p interaction to use in QRPA calculations is suggested.« less

  6. Reconnaissance for radioactive deposits in the vicinity of Teller and Cape Nome, Seward Peninsula, Alaska, 1946-47

    USGS Publications Warehouse

    White, Max Gregg; West, W.S.; Matzko, J.J.

    1953-01-01

    Placer-mining areas and bedrock exposures near Teller on the Seward Peninsula, Alaska, were investigated in June and July, 1946, for possible sources of radioactive materials. The areas that were investigated are: Dese Creek, southeast of Teller; Bluestone River basin, south and southeast of Teller; Sunset Creek and other small streams flowing south into Grantley Harbor, northeast of Teller; and, also northeast of Teller, Swanson Creek and its tributaries, which flow north into the Agiapuk River basin. No significant amount of radioactive material was found, either in the stream gravels or in the bedrock of any of the areas. A heavy-mineral fraction obtained from a granite boulder probably derived from a bench gravel on Gold Run contains 0. 017 percent equivalent uranium, but the radioactivity is due to allanite and zircon. The types of bedrock tested include schist, slate, and greenstone. Readings on fresh surfaces of rock were the same as, or only slightly above the background count. The maximum radioactivity in stream concentrates is 0. 004 percent equivalent uranium in a sluice concentrate from Sunset Creek.

  7. Uncertainties in modeling low-energy neutrino-induced reactions on iron-group nuclei

    NASA Astrophysics Data System (ADS)

    Paar, N.; Suzuki, T.; Honma, M.; Marketin, T.; Vretenar, D.

    2011-10-01

    Charged-current neutrino-nucleus cross sections for 54,56Fe and 58,60Ni are calculated and compared using frameworks based on relativistic and Skyrme energy-density functionals and on the shell model. The current theoretical uncertainties in modeling neutrino-nucleus cross sections are assessed in relation to the predicted Gamow-Teller transition strength and available data, to multipole decomposition of the cross sections, and to cross sections averaged over the Michel flux and Fermi-Dirac distribution. By employing different microscopic approaches and models, the decay-at-rest (DAR) neutrino-56Fe cross section and its theoretical uncertainty are estimated to be <σ>th=(258±57)×10-42cm2, in very good agreement with the experimental value <σ>exp=(256±108±43)×10-42cm2.

  8. Gamow–Teller resonances in the {sup 118}Sb compound nucleus: Puzzles of an experiment in Sarov

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

    Urin, M. H., E-mail: urin@theor.mephi.ru

    2016-03-15

    Contradictory data on the observation of Gamow–Teller resonances in the {sup 118}Sb compound nucleus are discussed along with the available interpretation of these data and planned experimental and theoretical investigations into Gamow–Teller resonances in a number of antimony isotopes.

  9. One of My Favorite Assignments: Automated Teller Machine Simulation.

    ERIC Educational Resources Information Center

    Oberman, Paul S.

    2001-01-01

    Describes an assignment for an introductory computer science class that requires the student to write a software program that simulates an automated teller machine. Highlights include an algorithm for the assignment; sample file contents; language features used; assignment variations; and discussion points. (LRW)

  10. Doublet-spacing enhancement caused by {Lambda}N-{Sigma}N coupling in {sub {Lambda}L}i hypernuclear isotopes

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

    Umeya, Atsushi; Harada, Toru; Research Center for Physics and Mathematics, Osaka Electro-Communication University, Neyagawa, Osaka 572-8530

    2011-03-15

    We theoretically investigate energy spacings of doublets in {sub {Lambda}L}i hypernuclear isotopes with A=7-10 in shell-model calculations with a {Lambda}N-{Sigma}N coupling effect. The calculated results show that the energy shifts are {Delta}{epsilon}=0.09-0.28 MeV and the {Sigma}-mixing probabilities are P{sub {Sigma}}=0.10%-0.34% in {Lambda} ground states for the isotopes because of the {Lambda}N-{Sigma}N coupling in the first-order perturbation. It is found that the energy spacing of the doublet is enhanced as a neutron number N increases; the contribution of the {Lambda}N-{Sigma}N coupling interaction is comparable to that of the {Lambda}N interaction in the neutron-rich {Lambda} hypernuclei. The coherent mechanism of this doublet-spacingmore » enhancement is also discussed in terms of Fermi-type and Gamow-Teller-type {Lambda}N-{Sigma}N couplings.« less

  11. Nuclear Physics Activities in Asia and ANPhA

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

    Sakai, H.

    2011-05-06

    On 18 July 2009 the Asian Nuclear Physics Association (ANPhA) has been officially launched in Beijing by the representatives from China, Korea, Japan and Vietnam. Since then Australia, India, Mongolia and Taiwan have joined to ANPhA and now the member country/region has increased to eight. Some activities and features on ANPhA are introduced. In addition, pleasant collaboration with Professor Arima by the author in regard to the Gamow-Teller quenching problem is also briefly mentioned.

  12. Comment on "Histories and Horoscopes: The Ethnographer as Fortune-Teller."

    ERIC Educational Resources Information Center

    Luttrell, Wendy

    1998-01-01

    Explores the analogy of the researcher as fortune teller and the parallels between research histories and horoscopes and discusses the tension between what the subject is and what he or she is imagined to be by others. (SLD)

  13. Soil Physical, Chemical, and Thermal Characterization, Teller Road Site, Seward Peninsula, Alaska, 2016

    DOE Data Explorer

    Graham, David; Kholodov, Alexander; Wilson, Cathy; Moon, Ji-Won; Romanovsky, Vladimir; Busey, Bob

    2018-02-05

    This dataset provides the results of physical, chemical, and thermal characterization of soils at the Teller Road Site, Seward Peninsula, Alaska. Soil pits were dug from 7-14 September 2016 at designated Intensive Stations 2 through 9 at the Teller Road MM 27 Site. This dataset includes field observations and descriptions of soil layers or horizons, field measurements of soil volumetric water content, soil temperature, thermal conductivity, and heat capacity. Laboratory measurements of soil properties include gravimetric water content, bulk density, volumetric water content, and total carbon and nitrogen.

  14. Tz=-1 →0 β decays of 54Ni,50Fe,46Cr, and 42Ti and comparison with mirror (3He,t ) measurements

    NASA Astrophysics Data System (ADS)

    Molina, F.; Rubio, B.; Fujita, Y.; Gelletly, W.; Agramunt, J.; Algora, A.; Benlliure, J.; Boutachkov, P.; Cáceres, L.; Cakirli, R. B.; Casarejos, E.; Domingo-Pardo, C.; Doornenbal, P.; Gadea, A.; Ganioǧlu, E.; Gascón, M.; Geissel, H.; Gerl, J.; Górska, M.; GrÈ©bosz, J.; Hoischen, R.; Kumar, R.; Kurz, N.; Kojouharov, I.; Susam, L. Amon; Matsubara, H.; Morales, A. I.; Oktem, Y.; Pauwels, D.; Pérez-Loureiro, D.; Pietri, S.; Podolyák, Zs.; Prokopowicz, W.; Rudolph, D.; Schaffner, H.; Steer, S. J.; Tain, J. L.; Tamii, A.; Tashenov, S.; Valiente-Dobón, J. J.; Verma, S.; Wollersheim, H.-J.

    2015-01-01

    We have studied the β decay of the Tz=-1 ,f7 /2 shell nuclei 54Ni,50Fe,46Cr, and 42Ti produced in fragmentation reactions. The proton separation energies in the daughter Tz=0 nuclei are relatively large (≈4 -5 MeV) so studies of the γ rays are essential. The experiments were performed at GSI as part of the Stopped-beam campaign with the RISING setup consisting of 15 Euroball Cluster Ge detectors. From the newly obtained high precision β -decay half-lives, excitation energies, and β branching ratios, we were able to extract Fermi and Gamow-Teller transition strengths in these β decays. With these improved results it was possible to compare in detail the Gamow-Teller (GT) transition strengths observed in beta decay including a sensitivity limit with the strengths of the Tz=+1 to Tz=0 transitions derived from high resolution (3He ,t ) reactions on the mirror target nuclei at RCNP, Osaka. The accumulated B (GT) strength obtained from both experiments looks very similar although the charge exchange reaction provides information on a broader energy range. Using the "merged analysis" one can obtain a full picture of the B (GT) over the full Qβ range. Looking at the individual transitions some differences are observed, especially for the weak transitions. Their possible origins are discussed.

  15. Visual Display Terminal use in Iranian bank tellers: Effects on job stress and insomnia.

    PubMed

    Giahi, Omid; Shahmoradi, Behzad; Barkhordari, Abdullah; Khoubi, Jamshid

    2015-01-01

    Visual Display Terminals (VDTs) are equipments in many workplaces which their use may increase the risk of visual, musculoskeletal and mental problems including insomnia. To determine the relationship between duration of daily VDT use and insomnia among the Iranian bank tellers. We randomly selected 382 bank tellers working with VDT. Quality of sleep and stress information were collected by Athens Insomnia Scales (AIS) and Demand-Control Model (DCM) model respectively. Out of 382 participants, 127 (33.2%) had sleep complaints and 255 (66.8%) had no sleep disorders. Moreover, the insomnia symptoms' score were significantly high in the participants having more than 6 hours of daily VDT use after adjusting for multiple confounding factors (P <  0.001). There was no significant relationship between stress and insomnia. It seems that the low levels of stress and job satisfaction reduce the impact of VDT on sleep quality in tellers who worked less than 6 hours per day.

  16. Neutron-$$\\gamma$$ competition for β-delayed neutron emission

    DOE PAGES

    Mumpower, Matthew Ryan; Kawano, Toshihiko; Moller, Peter

    2016-12-19

    Here we present a coupled quasiparticle random phase approximation and Hauser-Feshbach (QRPA+HF) model for calculating delayed particle emission. This approach uses microscopic nuclear structure information, which starts with Gamow-Teller strength distributions in the daughter nucleus and then follows the statistical decay until the initial available excitation energy is exhausted. Explicitly included at each particle emission stage is γ-ray competition. We explore this model in the context of neutron emission of neutron-rich nuclei and find that neutron-γ competition can lead to both increases and decreases in neutron emission probabilities, depending on the system considered. Finally, a second consequence of this formalismmore » is a prediction of more neutrons on average being emitted after β decay for nuclei near the neutron drip line compared to models that do not consider the statistical decay.« less

  17. Star wars and strategic defense initiatives: work activity and health symptoms of unionized bank tellers during work reorganization.

    PubMed

    Seifert, A M; Messing, K; Dumais, L

    1997-01-01

    Work activity and health symptoms of bank tellers whose work was undergoing reorganization were examined during a university-union study of the health effects of work in women's traditional jobs. Data were gathered through collective and individual interviews, analysis of work activity, and a questionnaire administered to 305 tellers. Employees worked in a standing posture over 80 percent of the time. More than two-thirds frequently suffered pain in back, legs, and feet. The average teller had been involved in 3.7 robberies as a direct victim and six as a witness. Work required feats of memory and concentration. In order to meet job demands, tellers engaged in supportive activities and teamwork. The introduction of individualized objectives threatened the employees' ability to collaborate and induced distress. More than twice as many tellers as other female workers in Québec experience psychological distress (Ilfeld scale), related to: robbery during the past two years (odds ratio = 1.7; confidence interval = 1.0-2.9); difficult relations with superiors (O.R. = 2.6; C.I. = 1.3-5.3); and full-time work (O.R. = 2.3; C.I. = 1.3-3.9). Diverse methods enriched the analysis, and union participation allowed the proposal of concrete correction measures.

  18. Jahn-Teller distortion in the phosphorescent excited state of three-coordinate Au(I) phosphine complexes.

    PubMed

    Barakat, Khaldoon A; Cundari, Thomas R; Omary, Mohammad A

    2003-11-26

    DFT calculations were used to optimize the phosphorescent excited state of three-coordinate [Au(PR3)3]+ complexes. The results indicate that the complexes rearrange from their singlet ground-state trigonal planar geometry to a T-shape in the lowest triplet luminescent excited state. The optimized structure of the exciton contradicts the structure predicted based on the AuP bonding properties of the ground-state HOMO and LUMO. The rearrangement to T-shape is a Jahn-Teller distortion because an electron is taken from the degenerate e' (5dxy, 5dx2-y2) orbital upon photoexcitation of the ground-state D3h complex. The calculated UV absorption and visible emission energies are consistent with the experimental data and explain the large Stokes' shifts while such correlations are not possible in optimized models that constrained the exciton to the ground-state trigonal geometry.

  19. GMX approximation for the linear E ⊗ ɛ Jahn-Teller effect

    NASA Astrophysics Data System (ADS)

    Mancini, Jay D.; Fessatidis, Vassilios; Bowen, Samuel P.

    2006-02-01

    A newly developed generalized moments expansion (GMX) based on the t-expansion of Horn and Weinstein is applied to a linear E ⊗ ɛ Jahn-Teller system. Comparisons are made with other moments schemes as well a coupled cluster approximation.

  20. Teller Training Module: Off-Line Banking System. High-Technology Training Module.

    ERIC Educational Resources Information Center

    Lund, Candyce J.

    This teller training module on offline banking systems is intended to be part of a postsecondary financial applications course. The module contains the following sections: module objective; specific objective; content--electronic audit machine key functions, practice packet--sample bank transactions and practicing procedures, and…

  1. Studying Electron-Capture on ^64Zn in Supernovae with the (t,^3He) Charge-Exchange Reaction

    NASA Astrophysics Data System (ADS)

    Hitt, G. W.; Austin, Sam M.; Bazin, D.; Gade, A.; Guess, C. J.; Galaviz-Redondo, D.; Shimbara, Y.; Tur, C.; Zegers, R. G. T.; Horoi, M.; Howard, M. E.; Smith, E. E.

    2008-10-01

    A secondary, 115 MeV/u triton beam has been developed at NSCL for use in (t,^3He) charge-exchange(CE) reaction studies. This (n,p)-type CE reaction is useful for extracting the full Gamow-Teller (GT) response of the nucleus, overcoming Q-value restrictions present in conventional beta-decay studies. The strength (B(GT)) in ^64Cu has been determined from the absolute cross section measurement of ^64Zn(t,^3He) near zero-degrees, exploiting an empirical proportionality between cross section and B(GT). The detailed features of the B(GT) distribution in a nucleus has an important impact on electron-capture (EC) rates in Type Ia and Core-Collapse supernovae. The measured B(GT) in ^64Cu is directly compared with the results of modern shell model interactions which are used to calculate the GT contribution to EC on nuclei in supernova simulations.

  2. Jahn-Teller effects in transition-metal compounds with small charge-transfer energy

    NASA Astrophysics Data System (ADS)

    Mizokawa, Takashi

    2013-04-01

    We have studied Jahn-Teller effects in Cs2Au2Br6, ACu3Co4O12(A=Ca or Y), and IrTe2 in which the ligand p-to-transition-metal d charge-transfer energy is small or negative. The Au+/Au3+ charge disproportionation of Cs2Au2Br6 manifests in Au 4f photoemission spectra. In Cs2Au2Br6 with negative Δ and intermediate U, the charge disproportionation can be described using effective d orbitals constructed from the Au 5d and Br 4p orbitals and is stabilized by the Jahn-Teller distortion of the Au3+ site with low-spin d8 configuration. In ACu3Co4O12, Δs for Cu3+ and Co4+ are negative and Us are very large. The Zhang-Rice picture is valid to describe the electronic state, and the valence change from Cu2+/Co4+ to Cu3+/Co3+ can be viewed as the O 2p hole transfer from Co to Cu or d9 + d6L → d9L + d6. In IrTe2, both Δ and U are small and the Ir 5d and Te 5p electrons are itinerant to form the multi-band Fermi surfaces. The ideas of band Jahn-Teller transition and Peierls transition are useful to describe the structural instabilities.

  3. IMPACT OF NEW GAMOW–TELLER STRENGTHS ON EXPLOSIVE TYPE IA SUPERNOVA NUCLEOSYNTHESIS

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

    Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka

    2016-12-20

    Recent experimental results have confirmed a possible reduction in the Gamow–Teller (GT{sub +}) strengths of pf-shell nuclei. These proton-rich nuclei are of relevance in the deflagration and explosive burning phases of SNe Ia. While prior GT strengths result in nucleosynthesis predictions with a lower-than-expected electron fraction, a reduction in the GT{sub +} strength can result in a slightly increased electron fraction compared to previous shell model predictions, though the enhancement is not as large as previous enhancements in going from rates computed by Fuller, Fowler, and Newman based on an independent particle model. A shell model parametrization has been developed thatmore » more closely matches experimental GT strengths. The resultant electron-capture rates are used in nucleosynthesis calculations for carbon deflagration and explosion phases of SNe Ia, and the final mass fractions are compared to those obtained using more commonly used rates.« less

  4. Jahn-Teller distortion of Mn3+-occupied octahedra in red beryl from Utah indicated by optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Fridrichová, Jana; Bačík, Peter; Ertl, Andreas; Wildner, Manfred; Dekan, Július; Miglierini, Marcel

    2018-01-01

    Red beryl from Utah is chemically homogeneous and contains only Fe < 0.163, Mn < 0.018, and Mg < 0.016 apfu. Channel sites contain only up to Cs 0.011, K 0.009, Rb 0.004, and Na 0.004 apfu. This suggests only very slight tetrahedral (Cs,K,Rb)Li□-1Be-1 substitution, octahedral Na(Fe2+,Mg)□-1Al-1 substitution can be excluded. Fe and Mn are trivalent as documented by Mössbauer spectroscopy and optical absorption spectroscopy. Red beryl optimized formula is ∼[(Cs,Rb,K)0.02□0.98]Σ1.00□1.00(Al1.79Fe3+0.16Mn3+0.02Ti4+0.02Mg0.01)Σ2.00Be3(Si6O18). Location of Mn3+ was estimated to the octahedral Al3+ site, other choices are improbable due to the bond-length requirements. No Mn3+-induced Jahn-Teller structural distortion was detected due to site symmetry restrictions and small Mn3+ content. However, optical spectroscopy shows broad band at ∼7190 cm-1 assigned to the excited level of the spin-allowed pseudo-tetragonal split E ground state of elongated six-fold Mn3+ coordination. Crystal field calculations indicate that the local Mn3+ environment complies well with crystal chemical expectations for Jahn-Teller distorted Mn3+O6 octahedra.

  5. Generalized Born-Oppenheimer treatment of Jahn-Teller systems in Hilbert spaces of arbitrary dimension: theory and application to a three-state model potential.

    PubMed

    Varandas, A J C; Sarkar, B

    2011-05-14

    Generalized Born-Oppenheimer equations including the geometrical phase effect are derived for three- and four-fold electronic manifolds in Jahn-Teller systems near the degeneracy seam. The method is readily extendable to N-fold systems of arbitrary dimension. An application is reported for a model threefold system, and the results are compared with Born-Oppenheimer (geometrical phase ignored), extended Born-Oppenheimer, and coupled three-state calculations. The theory shows unprecedented simplicity while depicting all features of more elaborated ones.

  6. Simulation Of Wave Function And Probability Density Of Modified Poschl Teller Potential Derived Using Supersymmetric Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Angraini, Lily Maysari; Suparmi, Variani, Viska Inda

    2010-12-01

    SUSY quantum mechanics can be applied to solve Schrodinger equation for high dimensional system that can be reduced into one dimensional system and represented in lowering and raising operators. Lowering and raising operators can be obtained using relationship between original Hamiltonian equation and the (super) potential equation. In this paper SUSY quantum mechanics is used as a method to obtain the wave function and the energy level of the Modified Poschl Teller potential. The graph of wave function equation and probability density is simulated by using Delphi 7.0 programming language. Finally, the expectation value of quantum mechanics operator could be calculated analytically using integral form or probability density graph resulted by the programming.

  7. GeneStoryTeller: a mobile app for quick and comprehensive information retrieval of human genes

    PubMed Central

    Eleftheriou, Stergiani V.; Bourdakou, Marilena M.; Athanasiadis, Emmanouil I.; Spyrou, George M.

    2015-01-01

    In the last few years, mobile devices such as smartphones and tablets have become an integral part of everyday life, due to their software/hardware rapid development, as well as the increased portability they offer. Nevertheless, up to now, only few Apps have been developed in the field of bioinformatics, capable to perform fast and robust access to services. We have developed the GeneStoryTeller, a mobile application for Android platforms, where users are able to instantly retrieve information regarding any recorded human gene, derived from eight publicly available databases, as a summary story. Complementary information regarding gene–drugs interactions, functional annotation and disease associations for each selected gene is also provided in the gene story. The most challenging part during the development of the GeneStoryTeller was to keep balance between storing data locally within the app and obtaining the updated content dynamically via a network connection. This was accomplished with the implementation of an administrative site where data are curated and synchronized with the application requiring a minimum human intervention. Database URL: http://bioserver-3.bioacademy.gr/Bioserver/GeneStoryTeller/. PMID:26055097

  8. Muon, photon and nuclear CERs for ββ - ν response studies

    NASA Astrophysics Data System (ADS)

    Ejiri, H.

    2015-10-01

    Neutrino nuclear responses for neutrino-less double beta decays (0νββ DBD) are studied by muon, photon and nuclear charge exchange reactions (CER) and β-EC transitions. These experimental responses with low and medium momentum transfers are used to evaluate 0νββ nuclear matrix elements and the solar neutrino interactions with atoms and nuclei of DBD detectors. Gamma-ray measurements from residual RI nuclei produced by (µ, νµxn) reactions on 100Mo shows a giant resonance around 12-15 MeV for µ- capture strength. Single β Gamow-Teller (GT) and spin-dipole (SD) strengths are reduced with respect to pnQRPA calculations by gAe f f≈0.5 -0.6 gA , suggesting considerable reductions of the axial vector responses for DBD. Solar neutrino nuclear interactions with nuclei of the DBD isotopes and atoms of liquid scintillators used for DBD experiments are shown to be the serious backgrounds at the ROI (region of interest) of 0νββ.

  9. Formal verification of automated teller machine systems using SPIN

    NASA Astrophysics Data System (ADS)

    Iqbal, Ikhwan Mohammad; Adzkiya, Dieky; Mukhlash, Imam

    2017-08-01

    Formal verification is a technique for ensuring the correctness of systems. This work focuses on verifying a model of the Automated Teller Machine (ATM) system against some specifications. We construct the model as a state transition diagram that is suitable for verification. The specifications are expressed as Linear Temporal Logic (LTL) formulas. We use Simple Promela Interpreter (SPIN) model checker to check whether the model satisfies the formula. This model checker accepts models written in Process Meta Language (PROMELA), and its specifications are specified in LTL formulas.

  10. Simultaneous effects of pressure and temperature on donor binding energy in Pöschl-Teller quantum well

    NASA Astrophysics Data System (ADS)

    Hakimyfard, Alireza; Barseghyan, M. G.; Duque, C. A.; Kirakosyan, A. A.

    2009-12-01

    In the frame of the variational method and the effective-mass approximation, the effects of hydrostatic pressure and temperature on the binding energy for donor impurities in the Pöschl-Teller quantum well are studied. The binding energy dependencies on the width of the quantum well, the hydrostatic pressure, the impurity position, the temperature, and the parameters of the confining potential are reported. The results show that the binding energy increases (decreases) with the increasing of the hydrostatic pressure (temperature). It is also found that, associated with the symmetry breaking in the Pöschl-Teller quantum well, and depending on the impurity position, the binding energy can increase or decrease.

  11. Electron-capture Rates for pf-shell Nuclei in Stellar Environments and Nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Suzuki, Toshio; Honma, Michio; Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka; Hidakai, Jun; Otsuka, Takaharu

    Gamow-Teller strengths in pf-shell nuclei obtained by a new shell-model Hamltonian, GXPF1J, are used to evaluate electron-capture rates in pf-shell nuclei at stellar environments. The nuclear weak rates with GXPF1J, which are generally smaller than previous evaluations for proton-rich nuclei, are applied to nucleosynthesis in type Ia supernova explosions. The updated rates are found to lead to less production of neutron-rich nuclei such as 58Ni and 54Cr, thus toward a solution of the problem of over-production of neutron-rich isotopes of iron-group nuclei compared to the solar abundance.

  12. Energy-weighted sum rules connecting ΔZ = 2 nuclei within the SO(8) model

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

    Štefánik, Dušan; Šimkovic, Fedor; Faessler, Amand

    2013-12-30

    Energy-weighted sum rules associated with ΔZ = 2 nuclei are obtained for the Fermi and the Gamow-Teller operators within the SO(8) model. It is found that there is a dominance of contribution of a single state of the intermediate nucleus to the sum rule. The results confirm founding obtained within the SO(5) model that the energy-weighted sum rules of ΔZ = 2 nuclei are governed by the residual interactions of nuclear Hamiltonian. A short discussion concerning some aspects of energy weighted sum rules in the case of realistic nuclei is included.

  13. Shape coexistence and β decay of 70Br within a beyond-mean-field approach

    NASA Astrophysics Data System (ADS)

    Petrovici, A.

    2018-02-01

    β -decay properties of the odd-odd N =Z 70Br nucleus are self-consistently explored within the beyond-mean-field complex excited vampir variational model using an effective interaction obtained from a nuclear matter G -matrix based on the charge-dependent Bonn CD potential and an adequate model space. Results on superallowed Fermi β decay of the ground state and Gamow-Teller decay of the 9+ isomer in 70Br correlated with the shape coexistence and mixing effects on the structure and electromagnetic properties of the populated states in the daughter nucleus 70Se are presented and compared with available data.

  14. Probing the N˜Z line via β decay

    NASA Astrophysics Data System (ADS)

    Oinonen, Markku

    1999-11-01

    This contribution reports several beta-decay studies performed at ISOLDE On-line Mass Separator at CERN recently for nuclei close to N=Z line. Beta decay of 58Zn provides a possibility to compare Gamow-Teller strength extracted from complementary beta-decay studies and charge-exchange reactions. Measurement on beta-decay half-life of 70Kr shows importance of experimental information in modelling the path of the astrophysical rp process. Decay of 71Kr is an example of a mirror beta decay and extends the systematics of these particular decays towards highly deformed region close to A=80.

  15. Nuclear structure and weak rates of heavy waiting point nuclei under rp-process conditions

    NASA Astrophysics Data System (ADS)

    Nabi, Jameel-Un; Böyükata, Mahmut

    2017-01-01

    The structure and the weak interaction mediated rates of the heavy waiting point (WP) nuclei 80Zr, 84Mo, 88Ru, 92Pd and 96Cd along N = Z line were studied within the interacting boson model-1 (IBM-1) and the proton-neutron quasi-particle random phase approximation (pn-QRPA). The energy levels of the N = Z WP nuclei were calculated by fitting the essential parameters of IBM-1 Hamiltonian and their geometric shapes were predicted by plotting potential energy surfaces (PESs). Half-lives, continuum electron capture rates, positron decay rates, electron capture cross sections of WP nuclei, energy rates of β-delayed protons and their emission probabilities were later calculated using the pn-QRPA. The calculated Gamow-Teller strength distributions were compared with previous calculation. We present positron decay and continuum electron capture rates on these WP nuclei under rp-process conditions using the same model. For the rp-process conditions, the calculated total weak rates are twice the Skyrme HF+BCS+QRPA rates for 80Zr. For remaining nuclei the two calculations compare well. The electron capture rates are significant and compete well with the corresponding positron decay rates under rp-process conditions. The finding of the present study supports that electron capture rates form an integral part of the weak rates under rp-process conditions and has an important role for the nuclear model calculations.

  16. Investigating the Human Computer Interaction Problems with Automated Teller Machine Navigation Menus

    ERIC Educational Resources Information Center

    Curran, Kevin; King, David

    2008-01-01

    Purpose: The automated teller machine (ATM) has become an integral part of our society. However, using the ATM can often be a frustrating experience as people frequently reinsert cards to conduct multiple transactions. This has led to the research question of whether ATM menus are designed in an optimal manner. This paper aims to address the…

  17. Old Father Story Teller: Grandfather Stories of the Pueblo Native American Indians.

    ERIC Educational Resources Information Center

    Velarde, Pablita

    Pablita Velarde, renowned artist and lecturer, recalls some of the Tewa legends handed down orally through the generations. She heard her grandfather and great-grandfather relate these tales on cold winter evenings at Santa Clara Pueblo when she was a child. The six stories told by Old Father Story Teller are "The Stars," which ties the…

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

    DOE PAGES

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

    2017-02-08

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

  19. Renormalization of the weak hadronic current in the nuclear medium

    NASA Astrophysics Data System (ADS)

    Siiskonen, T.; Hjorth-Jensen, M.; Suhonen, J.

    2001-05-01

    The renormalization of the weak charge-changing hadronic current as a function of the reaction energy release is studied at the nucleonic level. We have calculated the average quenching factors for each type of current (vector, axial vector, and induced pseudoscalar). The obtained quenching in the axial vector part is, at zero momentum transfer, 19% for the 1s0d shell and 23% in the 1p0f shell. We have extended the calculations also to heavier systems such as 56Ni and 100Sn, where we obtain stronger quenchings, 44% and 59%, respectively. Gamow-Teller-type transitions are discussed, along with the higher-order matrix elements. The quenching factors are constant up to roughly 60 MeV momentum transfer. Therefore the use of energy-independent quenching factors in beta decay is justified. We also found that going beyond the zeroth and first order operators (in inverse nucleon mass) does not give any substantial contribution. The extracted renormalization to the ratio CP/CA at q=100 MeV is -3.5%, -7.1%, -28.6%, and +8.7% for mass 16, 40, 56, and 100, respectively.

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

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

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

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

  1. Interplay of quasiparticle-vibration coupling and pairing correlations on β-decay half-lives

    NASA Astrophysics Data System (ADS)

    Niu, Y. F.; Niu, Z. M.; Colò, G.; Vigezzi, E.

    2018-05-01

    The nuclear β-decay half-lives of Ni and Sn isotopes, around the closed shell nuclei 78Ni and 132Sn, are investigated by computing the distribution of the Gamow-Teller strength using the Quasiparticle Random Phase Approximation (QRPA) with quasiparticle-vibration coupling (QPVC), based on ground-state properties obtained by Hartree-Fock-Bogoliubov (HFB) calculations. We employ the effective interaction SkM* and a zero-range effective pairing force. The half-lives are strongly reduced by including the QPVC. We study in detail the effects of isovector (IV) and isoscalar (IS) pairing. Increasing the IV strength tends to increase the lifetime for nuclei in the proximity of, but lighter than, the closed-shell ones in QRPA calculations, while the effect is significantly reduced by taking into account the QPVC. On the contrary, the IS pairing mainly plays a role for nuclei after the shell closure. Increasing its strength decreases the half-lives, and the effect at QRPA and QRPA+QPVC level is comparable. The effect of IS pairing is particularly pronounced in the case of the Sn isotopes, where it turns out to be instrumental to obtain good agreement with experimental data.

  2. An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.

    PubMed

    Zhou, Shulan; Li, Zheng; Xie, Daiqian; Lin, Shi Ying; Guo, Hua

    2009-05-14

    A global potential-energy surface for the first excited electronic state of NH(2)(A(2)A(')) has been constructed by three-dimensional cubic spline interpolation of more than 20,000 ab initio points, which were calculated at the multireference configuration-interaction level with the Davidson correction using the augmented correlation-consistent polarized valence quadruple-zeta basis set. The (J=0) vibrational energy levels for the ground (X(2)A(")) and excited (A(2)A(')) electronic states of NH(2) were calculated on our potential-energy surfaces with the diagonal Renner-Teller terms. The results show a good agreement with the experimental vibrational frequencies of NH(2) and its isotopomers.

  3. Suppression of the cooperative Jahn-Teller distortion and its effect on the Raman octahedra-rotation modes of TbM n1 -xF exO3

    NASA Astrophysics Data System (ADS)

    Vilarinho, R.; Passos, D. J.; Queirós, E. C.; Tavares, P. B.; Almeida, A.; Weber, M. C.; Guennou, M.; Kreisel, J.; Moreira, J. Agostinho

    2018-04-01

    This work reports the changes in structure and lattice dynamics induced by substituting the Jahn-Teller-active M n3 + ion by the Jahn-Teller-inactive F e3 + in TbM n1 -xF exO3 over the full composition range. The structural analysis reveals that the amplitude of the cooperative Jahn-Teller distortion decreases linearly from x =0 (pure TbMn O3 ) to x =0.5 , where it is completely suppressed. We then correlate this evolution with the behavior of the Raman modes across the solid solution. In particular, we show that the Raman modes associated with the rotation of octahedra, whose wave number is commonly considered to scale linearly with the tilt angles in orthorhombic Pnma perovskites, are also sensitive to the amplitude of the Jahn-Teller distortion.

  4. Unique first-forbidden β-decay rates for neutron-rich nickel isotopes in stellar environment

    NASA Astrophysics Data System (ADS)

    Nabi, Jameel-Un; Stoica, Sabin

    2014-02-01

    In astrophysical environments, allowed Gamow-Teller (GT) transitions are important, particularly for β-decay rates in presupernova evolution of massive stars, since they contribute to the fine-tuning of the lepton-to-baryon content of the stellar matter prior to and during the collapse of a heavy star. In environments where GT transitions are unfavored, first-forbidden transitions become important especially in medium heavy and heavy nuclei. Particularly in case of neutron-rich nuclei, first-forbidden transitions are favored primarily due to the phase-space amplification for these transitions. In this work the total β-decay half-lives and the unique first-forbidden (U1F) β-decay rates for a number of neutron-rich nickel isotopes, 72-78Ni, are calculated using the proton-neutron quasi-particle random phase approximation (pn-QRPA) theory in stellar environment for the first time. For the calculation of the β-decay half-lives both allowed and unique first-forbidden transitions were considered. Comparison of the total half-lives is made with measurements and other theoretical calculations where it was found that the pn-QRPA results are in better agreement with experiments and at the same time are suggestive of inclusion of rank 0 and rank 1 operators in first-forbidden rates for still better results.

  5. The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study.

    PubMed

    Rout, G C; Panda, Saswati; Behera, S N

    2011-10-05

    We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e(g) band. The relaxation time of the e(g) electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e(g) electron band splitting and its effect on magnetoresistivity is reported here. © 2011 IOP Publishing Ltd

  6. Observation of the 2+ isomer in 52Co

    NASA Astrophysics Data System (ADS)

    Orrigo, S. E. A.; Rubio, B.; Gelletly, W.; Blank, B.; Fujita, Y.; Giovinazzo, J.; Agramunt, J.; Algora, A.; Ascher, P.; Bilgier, B.; Cáceres, L.; Cakirli, R. B.; de France, G.; Ganioǧlu, E.; Gerbaux, M.; Grévy, S.; Kamalou, O.; Kozer, H. C.; Kucuk, L.; Kurtukian-Nieto, T.; Molina, F.; Popescu, L.; Rogers, A. M.; Susoy, G.; Stodel, C.; Suzuki, T.; Tamii, A.; Thomas, J. C.

    2016-10-01

    We report the first observation of the 2+ isomer in 52Co, produced in the β decay of the 0+, 52Ni ground state. We have observed three γ rays at 849, 1910, and 5185 keV characterizing the β de-excitation of the isomer. We have measured a half-life of 102(6) ms for the isomeric state. The Fermi and Gamow-Teller transition strengths for the β decay of Com52 to 52Fe have been determined. We also add new information on the β decay of the 6+, 52Co ground state, for which we have measured a half-life of 112(3) ms.

  7. Fast computation of the Gauss hypergeometric function with all its parameters complex with application to the Pöschl Teller Ginocchio potential wave functions

    NASA Astrophysics Data System (ADS)

    Michel, N.; Stoitsov, M. V.

    2008-04-01

    The fast computation of the Gauss hypergeometric function F12 with all its parameters complex is a difficult task. Although the F12 function verifies numerous analytical properties involving power series expansions whose implementation is apparently immediate, their use is thwarted by instabilities induced by cancellations between very large terms. Furthermore, small areas of the complex plane, in the vicinity of z=e, are inaccessible using F12 power series linear transformations. In order to solve these problems, a generalization of R.C. Forrey's transformation theory has been developed. The latter has been successful in treating the F12 function with real parameters. As in real case transformation theory, the large canceling terms occurring in F12 analytical formulas are rigorously dealt with, but by way of a new method, directly applicable to the complex plane. Taylor series expansions are employed to enter complex areas outside the domain of validity of power series analytical formulas. The proposed algorithm, however, becomes unstable in general when |a|, |b|, |c| are moderate or large. As a physical application, the calculation of the wave functions of the analytical Pöschl-Teller-Ginocchio potential involving F12 evaluations is considered. Program summaryProgram title: hyp_2F1, PTG_wf Catalogue identifier: AEAE_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAE_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 6839 No. of bytes in distributed program, including test data, etc.: 63 334 Distribution format: tar.gz Programming language: C++, Fortran 90 Computer: Intel i686 Operating system: Linux, Windows Word size: 64 bits Classification: 4.7 Nature of problem: The Gauss hypergeometric function F12, with all its parameters complex, is uniquely

  8. Tritium β decay in chiral effective field theory

    DOE PAGES

    Baroni, A.; Girlanda, L.; Kievsky, A.; ...

    2016-08-18

    We evaluate the Fermi and Gamow-Teller (GT) matrix elements in tritiummore » $$\\beta$$-decay by including in the charge-changing weak current the corrections up to one loop recently derived in nuclear chiral effective field theory ($$\\chi$$ EFT). The trinucleon wave functions are obtained from hyperspherical-harmonics solutions of the Schroedinger equation with two- and three-nucleon potentials corresponding to either $$\\chi$$ EFT (the N3LO/N2LO combination) or meson-exchange phenomenology (the AV18/UIX combination). We find that contributions due to loop corrections in the axial current are, in relative terms, as large as (and in some cases, dominate) those from one-pion exchange, which nominally occur at lower order in the power counting. Furthermore, we also provide values for the low-energy constants multiplying the contact axial current and three-nucleon potential, required to reproduce the experimental GT matrix element and trinucleon binding energies in the N3LO/N2LO and AV18/UIX calculations.« less

  9. The temperature dependence of the pressure switching of Jahn Teller deformation in the deuterated ammonium copper Tutton salt

    NASA Astrophysics Data System (ADS)

    Augustyniak, Maria A.; Krupski, Marcin

    1999-09-01

    The pressure switch of the Jahn-Teller deformation direction in (ND 4) 2Cu(SO 4) 2·6D 2O was investigated in the temperature range 130-320 K. Below 295 K, the new, pressure-induced phase, is stable under ambient pressure. Switching back is observed on heating to above 297 K. In the range 150-295 K a strong temperature dependence of the switching pressure (from 24 to 450 MPa) is observed. Below 150 K, the switching process is slow and a coexistence of two phases is observed. We conclude that the switch of the Cu(D 2O) 6 complex deformation direction is the Jahn-Teller response to the changes in the hydrogen bond system.

  10. Speckle in the diffraction patterns of Hendricks-Teller and icosahedral glass models

    NASA Technical Reports Server (NTRS)

    Garg, Anupam; Levine, Dov

    1988-01-01

    It is shown that the X-ray diffraction patterns from the Hendricks-Teller model for layered systems and the icosahedral glass models for the icosahedral phases show large fluctuations between nearby scattering wave vectors and from sample to sample, that are quite analogous to laser speckle. The statistics of these fluctuations are studied analytically for the first model and via computer simulations for the second. The observability of these effects is discussed briefly.

  11. AES Cardless Automatic Teller Machine (ATM) Biometric Security System Design Using FPGA Implementation

    NASA Astrophysics Data System (ADS)

    Ahmad, Nabihah; Rifen, A. Aminurdin M.; Helmy Abd Wahab, Mohd

    2016-11-01

    Automated Teller Machine (ATM) is an electronic banking outlet that allows bank customers to complete a banking transactions without the aid of any bank official or teller. Several problems are associated with the use of ATM card such card cloning, card damaging, card expiring, cast skimming, cost of issuance and maintenance and accessing customer account by third parties. The aim of this project is to give a freedom to the user by changing the card to biometric security system to access the bank account using Advanced Encryption Standard (AES) algorithm. The project is implemented using Field Programmable Gate Array (FPGA) DE2-115 board with Cyclone IV device, fingerprint scanner, and Multi-Touch Liquid Crystal Display (LCD) Second Edition (MTL2) using Very High Speed Integrated Circuit Hardware (VHSIC) Description Language (VHDL). This project used 128-bits AES for recommend the device with the throughput around 19.016Gbps and utilized around 520 slices. This design offers a secure banking transaction with a low rea and high performance and very suited for restricted space environments for small amounts of RAM or ROM where either encryption or decryption is performed.

  12. On the important role of the anti-Jahn-Teller effect in underdoped cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Kamimura, Hiroshi; Matsuno, Shunichi; Mizokawa, Takashi; Sasaoka, Kenji; Shiraishi, Kenji; Ushio, Hideki

    2013-04-01

    In this paper it is shown that the "anti-Jahn-Teller effect" plays an essential role in giving rise to a small Fermi surface of Fermi pockets above Tc and d-wave superconductivity below Tc in underdoped cuprates. In the first part of the present paper, we review the latest developments of the model proposed by Kamimura and Suwa, which bears important characteristics born from the interplay of Jahn-Teller Physics and Mott Physics. It is shown that the feature of Fermi surfaces in underdoped LSCO is the Fermi pockets in the nodal region constructed by doped holes under the coexistence of a metallic state and of the local antiferromagnetic order. In the antinodal region in the momentum space, there are no Fermi surfaces. Then it is discussed that the phonon-involved mechanism based on the Kamimura-Suwa model leads to the d-wave superconductivity. In particular, it is shown that the origin of strong electron-phonon interactions in cuprates is due to the anti-Jahn-Teller effect. In the second part a recent theoretical result on the energy distribution curves (EDCs) of angle-resolved photoemission spectroscopy (ARPES) below Tc is discussed. It is shown that the feature of ARPES profiles of underdoped cuprates consists of a coherent peak in the nodal region and the real transitions of photoexcited electrons from occupied states below the Fermi level to a free-electron state above the vacuum level in the antinodal region, where the latter transitions form a broad hump. From this feature, the origin of the two distinct gaps observed by ARPES is elucidated without introducing the concept of the pseudogap. Finally, a remark is made on the phase diagram of underdoped cuprates.

  13. Jahn-Teller effect in molecular electronics: quantum cellular automata

    NASA Astrophysics Data System (ADS)

    Tsukerblat, B.; Palii, A.; Clemente-Juan, J. M.; Coronado, E.

    2017-05-01

    The article summarizes the main results of application of the theory of the Jahn-Teller (JT) and pseudo JT effects to the description of molecular quantum dot cellular automata (QCA), a new paradigm of quantum computing. The following issues are discussed: 1) QCA as a new paradigm of quantum computing, principles and advantages; 2) molecular implementation of QCA; 3) role of the JT effect in charge trapping, encoding of binary information in the quantum cell and non-linear cell-cell response; 4) spin-switching in molecular QCA based on mixed-valence cell; 5) intervalence optical absorption in tetrameric molecular mixed-valence cell through the symmetry assisted approach to the multimode/multilevel JT and pseudo JT problems.

  14. Jahn-Teller transition in TiF3 investigated using density-functional theory

    NASA Astrophysics Data System (ADS)

    Perebeinos, Vasili; Vogt, Tom

    2004-03-01

    We use first-principles density-functional theory to calculate the electronic and magnetic properties of TiF3 using the full-potential-linearized augmented-plane-wave method. The local density approximation (LDA) predicts a fully saturated ferromagnetic metal and finds degenerate energy minima for high- and low-symmetry structures. The experimentally observed Jahn-Teller phase transition at Tc=370 K cannot be driven by the electron-phonon interaction alone, which is usually described accurately by the LDA. Electron correlations beyond the LDA are essential to lift the degeneracy of the singly occupied Ti t2g orbital. Although the on-site Coulomb correlations are important, the direction of the t2g-level splitting is determined by dipole-dipole interactions. The LDA+U functional predicts an aniferromagnetic insulator with an orbitally ordered ground state. The input parameters U=8.1 eV and J=0.9 eV for the Ti 3d orbital were found by varying the total charge on the TiF2-6 ion using the molecular NRLMOL code. We estimate the Heisenberg exchange constant for spin 1/2 on a cubic lattice to be approximately 24 K. The symmetry lowering energy in LDA+U is about 900 K per TiF3 formula unit.

  15. Physics-based Inverse Problem to Deduce Marine Atmospheric Boundary Layer Parameters

    DTIC Science & Technology

    2017-03-07

    please find the Final Technical Report with SF 298 for Dr. Erin E. Hackett’s ONR grant entitled Physics-based Inverse Problem to Deduce Marine...From- To) 07/03/2017 Final Technica l Dec 2012- Dec 2016 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Physics-based Inverse Problem to Deduce Marine...SUPPLEMENTARY NOTES 14. ABSTRACT This report describes research results related to the development and implementation of an inverse problem approach for

  16. Vibrational and Nonadiabatic Coherence in 2D Electronic Spectroscopy, the Jahn-Teller Effect, and Energy Transfer

    NASA Astrophysics Data System (ADS)

    Jonas, David M.

    2018-04-01

    Femtosecond two-dimensional (2D) Fourier transform spectroscopy generates and probes several types of coherence that characterize the couplings between vibrational and electronic motions. These couplings have been studied in molecules with Jahn-Teller conical intersections, pseudo-Jahn-Teller funnels, dimers, molecular aggregates, photosynthetic light harvesting complexes, and photosynthetic reaction centers. All have closely related Hamiltonians and at least two types of vibrations, including one that is decoupled from the electronic dynamics and one that is nonadiabatically coupled. Polarized pulse sequences can often be used to distinguish these types of vibrations. Electronic coherences are rapidly obscured by inhomogeneous dephasing. The longest-lived coherences in these systems arise from delocalized vibrations on the ground electronic state that are enhanced by a nonadiabatic Raman excitation process. These characterize the initial excited-state dynamics. 2D oscillation maps are beginning to isolate the medium lifetime vibronic coherences that report on subsequent stages of the excited-state dynamics.

  17. Electron capture rates in stars studied with heavy ion charge exchange reactions

    NASA Astrophysics Data System (ADS)

    Bertulani, C. A.

    2018-01-01

    Indirect methods using nucleus-nucleus reactions at high energies (here, high energies mean ~ 50 MeV/nucleon and higher) are now routinely used to extract information of interest for nuclear astrophysics. This is of extreme relevance as many of the nuclei involved in stellar evolution are short-lived. Therefore, indirect methods became the focus of recent studies carried out in major nuclear physics facilities. Among such methods, heavy ion charge exchange is thought to be a useful tool to infer Gamow-Teller matrix elements needed to describe electron capture rates in stars and also double beta-decay experiments. In this short review, I provide a theoretical guidance based on a simple reaction model for charge exchange reactions.

  18. Nuclear chiral axial currents and applications to few-nucleon systems

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

    Baroni, Alessandro

    This Thesis is divided into three main parts. The first part discusses basic aspects of chiral effective field theory and the formalism, based on time ordered perturbation theory, used to to derive the nuclear potentials and currents from the chiral Lagrangians. The second part deals with the actual derivation, up to one loop, of the two-nucleon potential and one- and two-nucleon weak axial charge and current. In both derivations ultraviolet divergences generated by loop corrections are isolated using dimensional regularization. The resulting axial current is finite and conserved in the chiral limit, while the axial charge requires renormalization. A completemore » set of contact terms for the axial charge up to the relevant order in the power counting is constructed. The third part of this Thesis discusses two applications: (i) the calculation of the Gamow-Teller matrix element of tritium, used to constrain the single low-energy constant entering the axial current; (ii) the calculation of neutrino-deuteron inclusive cross sections at low energies. These results have confirmed previous predictions obtained in phenomenological approaches. These latter studies have played an important role in the analysis and interpretation of experiments at the Sudbury Neutrino Observatory.« less

  19. New Baxter phase in the Ashkin-Teller model on a cubic lattice

    NASA Astrophysics Data System (ADS)

    Santos, J. P.; Rosa, D. S.; Sá Barreto, F. C.

    2018-02-01

    The mean field theory results are obtained from the Bogoliubov inequality for the spin-1/2 Ashkin-Teller model on a cubic lattice for different cluster sizes. The phase diagram, magnetization and free energy are obtained. From those expressions we observed a new phase in the model. Denoted in the course of this work by Baxter(2) this new phase presents 〈 S 〉 ≠ 〈 σ 〉 ≠ 0. The phase transitions between the Baxter(2) and the others well known phases for the model are studied and classified.

  20. Teaching the Jahn-Teller Theorem: A Simple Exercise That Illustrates How the Magnitude of Distortion Depends on the Number of Electrons and Their Occupation of the Degenerate Energy Level

    ERIC Educational Resources Information Center

    Johansson, Adam Johannes

    2013-01-01

    Teaching the Jahn-Teller theorem offers several challenges. For many students, the first encounter comes in coordination chemistry, which can be difficult due to the already complicated nature of transition-metal complexes. Moreover, a deep understanding of the Jahn-Teller theorem requires that one is well acquainted with quantum mechanics and…

  1. GeneStoryTeller: a mobile app for quick and comprehensive information retrieval of human genes.

    PubMed

    Eleftheriou, Stergiani V; Bourdakou, Marilena M; Athanasiadis, Emmanouil I; Spyrou, George M

    2015-01-01

    In the last few years, mobile devices such as smartphones and tablets have become an integral part of everyday life, due to their software/hardware rapid development, as well as the increased portability they offer. Nevertheless, up to now, only few Apps have been developed in the field of bioinformatics, capable to perform fast and robust access to services. We have developed the GeneStoryTeller, a mobile application for Android platforms, where users are able to instantly retrieve information regarding any recorded human gene, derived from eight publicly available databases, as a summary story. Complementary information regarding gene-drugs interactions, functional annotation and disease associations for each selected gene is also provided in the gene story. The most challenging part during the development of the GeneStoryTeller was to keep balance between storing data locally within the app and obtaining the updated content dynamically via a network connection. This was accomplished with the implementation of an administrative site where data are curated and synchronized with the application requiring a minimum human intervention. © The Author(s) 2015. Published by Oxford University Press.

  2. First order phase transitions resulted from collective Jahn-Teller effect

    NASA Astrophysics Data System (ADS)

    Rosenfeld, E. V.

    2018-01-01

    Generally, in case of the collective Jahn-Teller effect, a high-symmetry structure of a matrix in which quantum systems with degenerate ground state are inserted becomes distorted. This usually smooth transition can become abrupt only if the matrix by itself is a trigger and JTE merely activates its switching. It is shown in this paper that proper insertion into matrix of quantum systems with the singlet ground state and degenerate excited state leads to the formation of a new metastable state of the whole system and a stepwise appearance of JTE. Using nanotechnology, a matrix of any nature can be transformed into trigger in this way if one manages to synthesize and insert into it proper quantity of quantum JT-active centers with appropriate energy spectrum.

  3. Leaf Mass Area, Leaf Carbon and Nitrogen Content, Kougarok Road and Teller Road, Seward Peninsula, Alaska, 2016

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

    Shawn Serbin; Alistair Rogers; Kim Ely

    Carbon, Nitrogen and Leaf Mass Area of leaves sampled from locations on the Kougarok Rd (transect A) and Teller Rd NGEE Arctic study sites, Seward Peninsula, Alaska. Species include: Alnus viridis spp. fruticosa, Arctostaphylos rubra, Betula glandulosa, Chamerion latifolium, Petasites frigidus, Salix alaxensis, Salix glauca, Salix pulchra, Salix richardsonii and Vaccinium uliginosum.

  4. Evolution of single-particle structure and beta-decay near 78Ni

    NASA Astrophysics Data System (ADS)

    Borzov, I. N.

    2012-12-01

    The extended self-consistent beta-decay model has been applied for bet-decay rates and delayed neutron emission probabilities of spherical neutron-rich isotopes near the r-process paths. Unlike a popular global FRDM+RPA model, in our fully microscopic approach, the Gamow-Teller and first-forbidden decays are treated on the same footing. The model has been augmented by blocking of the odd particle in order to account for important ground-state spin-parity inversion effect which has been shown to exist in the region of the most neutron-rich doubly-magic nucleus 78Ni. Finally, a newly developed form of density functional DF3a has been employed which gives a better spin-orbit splitting due to the modified tensor components of the density functional.

  5. Gamow-Teller Strength for the Mixed Ground State of ARGON-35 via the (proton, Neutron) Reaction.

    NASA Astrophysics Data System (ADS)

    Wagner, Anthony James

    1988-12-01

    Early asymmetry measurements of the mixed beta-decay of the ground state of ^{35}Ar to the ground state of ^{35}Cl showed an "anomalous" value of G_{rm V}. This anomalous value surprisingly would infer that unitary symmetry, believed to be spontaneously broken in nature, has been restored in this singular case. From the definition of rho^2, this "anomalous" value also infers a "anomalous" value for B(GT)/B(F). When the half-life data is used instead without the results of the asymmetry experiment, one obtains a different ("normal") value of B(GT)/B(F). The quantity rho^2 derived from the early asymmetry experiments is considered suspect. It has recently been shown that the (p,n) reaction at intermediate energies provides a strong interaction probe of the identical B(GT)/B(F) nuclear strength ratio that can be measured in beta-decay. The value of G_{rm A}/G _{rm V} has been determined very accurately from the beta -decay of the neutron. Thus, (p,n) can be used to determine via a totally independent measurement the value of B(GT)/B(F). The global proportionality constant E _{rm O} = 55 +/- 0.4 MeV is used to analyze the results of a 160 MeV Polarimeter experiment to distinguish between the normal and anomalous value. The results showed more spin-flip probability than was expected. A 120 MeV cross section experiment was required to check whether there was additional spin-flip probability due to a non-negligible DeltaL = 2 component. The results showed a negligible DeltaL = 2 component. The specific proportionality ({ sigma}_{rm GT} (Ground State) = {sigma} _{rm GT} (Excited State)) was then used to reanalyze the results of both experiments. The results showed a B(GT)/B(F) = 0.058 +/- 0.007. The specific proportionality gave a global proportionality constant of E_{rm O} = 32.2 +/- 1.9 MeV. The reason for this deviation in E_{rm O} is not understood.

  6. Light elements burning reaction rates at stellar temperatures as deduced by the Trojan Horse measurements

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

    Lamia, L.; Spitaleri, C.; La Cognata, M.

    2015-02-24

    Experimental nuclear astrophysics aims at determining the reaction rates for astrophysically relevant reactions at their Gamow energies. For charged-particle induced reactions, the access to these energies is usually hindered, in direct measurements, by the presence of the Coulomb barrier between the interacting particles or by electron screening effects, which make hard the determination of the bare-nucleus S(E)-factor of interest for astrophysical codes. The use of the Trojan Horse Method (THM) appears as one of the most suitable tools for investigating nuclear processes of interest for astrophysics. Here, in view of the recent TH measurements, the main destruction channels for deuteriummore » ({sup 2}H), for the two lithium {sup 6,7}Li isotopes, for the {sup 9}Be and the one for the two boron {sup 10,11}B isotopes will be discussed.« less

  7. Finite pure integer programming algorithms employing only hyperspherically deduced cuts

    NASA Technical Reports Server (NTRS)

    Young, R. D.

    1971-01-01

    Three algorithms are developed that may be based exclusively on hyperspherically deduced cuts. The algorithms only apply, therefore, to problems structured so that these cuts are valid. The algorithms are shown to be finite.

  8. Observation of a quadrupole interaction for cubic imperfections exhibiting a dynamic Jahn-Teller effect.

    NASA Technical Reports Server (NTRS)

    Herrington, J. R.; Estle, T. L.; Boatner, L. A.

    1972-01-01

    The observation and interpretation of weak EPR transitions, identified as 'forbidden' transitions, establish the existence of a new type of quadrupole interaction for cubic-symmetry imperfections. This interaction is simply a consequence of the ground-vibronic-state degeneracy. The signs as well as the magnitudes of the quadrupole-coupling coefficients are determined experimentally. These data agree well with the predictions of crystal field theory modified to account for a weak-to-moderate vibronic interaction (i.e., a dynamic Jahn-Teller effect).

  9. Deduced elasticity of sp3-bonded amorphous diamond

    NASA Astrophysics Data System (ADS)

    Ballato, J.; Ballato, A.

    2017-11-01

    Amorphous diamond was recently synthesized using high temperature and pressure techniques [Z. Zeng, L. Yang, Q. Zeng, H. Lou, H. Sheng, J. Wen, D. J. Miller, Y. Meng, W. Yang, W. L. Mao, and H. K. Mao, Nat. Commun. 8, 322 (2017)]. Here, selected physical properties of this new phase of carbon are deduced using an extension of the Voigt-Reuss-Hill (VRHx) methodology whereby single crystal values are averaged over all orientations to yield values for the amorphous analog. Specifically, the elastic constants were deduced to be c11 = 1156.5 GPa, c12 = 87.6 GPa, and c44 = 534.5 GPa, whereas the Young's modulus, bulk modulus, and Poisson's ratio were also estimated to be 1144.2 GPa, 443.9 GPa, and 0.0704, respectively. These numbers are compared with experimental and theoretical literature values for other allotropic forms, specifically, Lonsdaleite, and two forms each of graphite and amorphous carbon. It is unknown at this time how the high temperature and pressure synthesis approach employed influences the structure, hence properties, of amorphous diamond at room temperature. However, the values provided herein constitute a baseline against which future structure/property/processing analyses can be compared.

  10. Thin cirrus clouds - Seasonal distribution over oceans deduced from Nimbus-4 IRIS

    NASA Technical Reports Server (NTRS)

    Prabhakara, C.; Fraser, R. S.; Dalu, G.; Wu, Man-Li C.; Curran, R. J.

    1988-01-01

    Spectral differences in the extinction of the 10.8- and 12.6-micron bands of the IR window region, due to optically thin clouds, were found in the measurements made by both an airborne broadband IR radiometer and the IR interferometer spectrometer (IRIS) aboard the Nimbus-4 satellite; the extinction at 12.6 microns was significantly larger than that at 10.8 microns; both water and ice particles in the clouds can account for such spectral difference in extinction. Multiple scattering radiative transfer calculations of IRIS data revealed this spectral feature about 100 to 20 km away from the high-altitude cold clouds; it is assumed that this feature is related to the spreading of cirrus clouds. Based on this assumption, mean seasonal maps of the distribution of thin cirrus clouds over the oceans were deduced from the IRIS data. The maps show that such clouds are often present over the convectively active areas, such as ITCZ, SPCZ, and the Bay of Bengal during the summer monsoon.

  11. β -delayed γ decay of P 26 : Possible evidence of a proton halo

    DOE PAGES

    Pérez-Loureiro, D.; Wrede, C.; Bennett, M. B.; ...

    2016-06-01

    Background: Measurements of β decay provide important nuclear structure information that can be used to probe isospin asymmetries and inform nuclear astrophysics studies. Purpose: To measure the β-delayed γ decay of 26P and compare the results with previous experimental results and shell-model calculations. Method: A 26P fast beam produced using nuclear fragmentation was implanted into a planar germanium detector. Its β-delayed γ-ray emission was measured with an array of 16 high-purity germanium detectors. Positrons emitted in the decay were detected in coincidence to reduce the background. Results: The absolute intensities of 26P β-delayed γ-rays were determined. A total of sixmore » new β-decay branches and 15 new γ-ray lines have been observed for the first time in 26P β-decay. A complete β-decay scheme was built for the allowed transitions to bound excited states of 26Si. ft values and Gamow-Teller strengths were also determined for these transitions and compared with shell model calculations and the mirror β-decay of 26Na, revealing significant mirror asymmetries. Conclusions: A very good agreement with theoretical predictions based on the USDB shell model is observed. The significant mirror asymmetry observed for the transition to the first excited state (δ=51(10)%) may be evidence for a proton halo in 26P.« less

  12. β-Decay half-lives and nuclear structure of exotic proton-rich waiting point nuclei under rp-process conditions

    NASA Astrophysics Data System (ADS)

    Nabi, Jameel-Un; Böyükata, Mahmut

    2016-03-01

    We investigate even-even nuclei in the A ∼ 70 mass region within the framework of the proton-neutron quasi-particle random phase approximation (pn-QRPA) and the interacting boson model-1 (IBM-1). Our work includes calculation of the energy spectra and the potential energy surfaces V (β , γ) of Zn, Ge, Se, Kr and Sr nuclei with the same proton and neutron number, N = Z. The parametrization of the IBM-1 Hamiltonian was performed for the calculation of the energy levels in the ground state bands. Geometric shape of the nuclei was predicted by plotting the potential energy surfaces V (β , γ) obtained from the IBM-1 Hamiltonian in the classical limit. The pn-QRPA model was later used to compute half-lives of the neutron-deficient nuclei which were found to be in very good agreement with the measured ones. The pn-QRPA model was also used to calculate the Gamow-Teller strength distributions and was found to be in decent agreement with the measured data. We further calculate the electron capture and positron decay rates for these N = Z waiting point (WP) nuclei in the stellar environment employing the pn-QRPA model. For the rp-process conditions, our total weak rates are within a factor two compared with the Skyrme HF +BCS +QRPA calculation. All calculated electron capture rates are comparable to the competing positron decay rates under rp-process conditions. Our study confirms the finding that electron capture rates form an integral part of the weak rates under rp-process conditions and should not be neglected in the nuclear network calculations.

  13. Enhanced way of securing automated teller machine to track the misusers using secure monitor tracking analysis

    NASA Astrophysics Data System (ADS)

    Sadhasivam, Jayakumar; Alamelu, M.; Radhika, R.; Ramya, S.; Dharani, K.; Jayavel, Senthil

    2017-11-01

    Now a days the people's attraction towards Automated Teller Machine(ATM) has been increasing even in rural areas. As of now the security provided by all the bank is ATM pin number. Hackers know the way to easily identify the pin number and withdraw money if they haven stolen the ATM card. Also, the Automated Teller Machine is broken and the money is stolen. To overcome these disadvantages, we propose an approach “Automated Secure Tracking System” to secure and tracking the changes in ATM. In this approach, while creating the bank account, the bank should scan the iris known (a part or movement of our eye) and fingerprint of the customer. The scanning can be done with the position of the eye movements and fingerprints identified with the shortest measurements. When the card is swiped then ATM should request the pin, scan the iris and recognize the fingerprint and then allow the customer to withdraw money. If somebody tries to break the ATM an alert message is given to the nearby police station and the ATM shutter is automatically closed. This helps in avoiding the hackers who withdraw money by stealing the ATM card and also helps the government in identifying the criminals easily.

  14. Comparisons of Satellite-Deduced Overlapping Cloud Properties and CALIPSO CloudSat Data

    NASA Technical Reports Server (NTRS)

    Chang, Fu-Lung; Minnis, Patrick; Lin, Bing; Sun-Mack, Sunny

    2010-01-01

    Introduction to the overlapped cloud properties derived from polar-orbiting (MODIS) and geostationary (GOES-12, -13, Meteosat-8, -9, etc.) meteorological satellites, which are produced at the NASA Langley Research Center (LaRC) cloud research & development team (NASA lead scientist: Dr. Patrick Minnis). Comparison of the LaRC CERES MODIS Edition-3 overlapped cloud properties to the CALIPSO and the CloudSat active sensing data. High clouds and overlapped clouds occur frequently as deduced by CALIPSO (44 & 25%), CloudSat (25 & 4%), and MODIS (37 & 6%). Large fractions of optically-thin cirrus and overlapped clouds are deduced from CALIPSO, but much smaller fractions are from CloudSat and MODIS. For overlapped clouds, the averaged upper-layer CTHs are about 12.8 (CALIPSO), 10.9 (CloudSat) and 10 km (MODIS), and the averaged lower-layer CTHs are about 3.6 (CALIPSO), 3.2 (CloudSat) and 3.9 km (MODIS). Based on comparisons of upper and lower-layer cloud properties as deduced from the MODIS, CALIPSO and CloudSat data, more enhanced passive satellite methods for retrieving thin cirrus and overlapped cloud properties are needed and are under development.

  15. What makes an automated teller machine usable by blind users?

    PubMed

    Manzke, J M; Egan, D H; Felix, D; Krueger, H

    1998-07-01

    Fifteen blind and sighted subjects, who featured as a control group for acceptance, were asked for their requirements for automated teller machines (ATMs). Both groups also tested the usability of a partially operational ATM mock-up. This machine was based on an existing cash dispenser, providing natural speech output, different function menus and different key arrangements. Performance and subjective evaluation data of blind and sighted subjects were collected. All blind subjects were able to operate the ATM successfully. The implemented speech output was the main usability factor for them. The different interface designs did not significantly affect performance and subjective evaluation. Nevertheless, design recommendations can be derived from the requirement assessment. The sighted subjects were rather open for design modifications, especially the implementation of speech output. However, there was also a mismatch of the requirements of the two subject groups, mainly concerning the key arrangement.

  16. Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries

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

    Li, Xin; Wang, Yan; Wu, Di

    2016-08-30

    Na energy storage technology is strategically attractive for large scale applications such as grid energy storage. Here, we show in this paper that there is a clear relation between the Jahn$-$Teller activity of a transition metal ion at the end of charge and the mobility of Na in a cathode material. This is particularly important as mobility at the end of charge limits the capacity of current materials. Consequently, by using this classical piece of physics in the battery world, it is possible to create higher capacity Na-cathode materials. Even more exciting is that the ideal element to impart thismore » effect on cathodes is Fe, which is the least expensive of the transition metal oxides and can therefore enable low cost cathode materials.« less

  17. EPR Studies of orthorhombic Jahn-Teller effect in single crystal of ferroelectric Cu(II):Cd2(NH4)2 (SO4)3

    NASA Astrophysics Data System (ADS)

    Benson, Yerima; de, Dilip

    In this paper we report the first EPR observation and theoretical explanation of orthorhombic Jahn-Teller effect in Cu(II) doped single crystal of ferroelectric cadmium ammonium sulphate: Cu(II):Cd2(NH4)2 (SO4)3 . The isotropic EPR spectra of the 2D ion (in regular octahedral symmetry) at higher temperature becomes anisotropic at low temperature with clear manifestation of orthorhombic g and hyperfine tensors at 15 K. The static Jahn-Teller(JT) effect can only be explained theoretically by assuming the three JT potential wells energetically inequivalent, unlike the potential wells in most of the Cu(II) doped crystalline materials where JT effect manifests. The measured splitting of the JT potential wells in this ferroelectric crystal fall in the sub millimeter wave region pointing to possible application of the material.

  18. Neutrino nuclear responses for double beta decays and astro neutrinos by charge exchange reactions

    NASA Astrophysics Data System (ADS)

    Ejiri, Hiroyasu

    2014-09-01

    Neutrino nuclear responses are crucial for neutrino studies in nuclei. Charge exchange reactions (CER) are shown to be used to study charged current neutrino nuclear responses associated with double beta decays(DBD)and astro neutrino interactions. CERs to be used are high energy-resolution (He3 ,t) reactions at RCNP, photonuclear reactions via IAR at NewSUBARU and muon capture reactions at MUSIC RCNP and MLF J-PARC. The Gamow Teller (GT) strengths studied by CERs reproduce the observed 2 neutrino DBD matrix elements. The GT and spin dipole (SD) matrix elements are found to be reduced much due to the nucleon spin isospin correlations and the non-nucleonic (delta isobar) nuclear medium effects. Impacts of the reductions on the DBD matrix elements and astro neutrino interactions are discussed.

  19. 76 FR 6640 - Advantage Life Products, Inc., and B-Teller, Inc. (n/k/a CA Goldfields, Inc.), Order of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-07

    ..., Inc. (n/k/a CA Goldfields, Inc.), Order of Suspension of Trading February 3, 2011. It appears to the... current and accurate information concerning the securities of B-Teller, Inc. (n/k/a CA Goldfields, Inc...(k) of the Securities Exchange Act of 1934, that trading in the securities of the above-listed...

  20. Representing the Quantum Object Through Fiction in Teaching. The Ontological Contribution of Gamow's Narrative as Part of an Introduction to Quantum Physics

    NASA Astrophysics Data System (ADS)

    Héraud, Jean-Loup; Lautesse, Philippe; Ferlin, Fabrice; Chabot, Hugues

    2017-05-01

    Our work extends a previous study of epistemological presuppositions in teaching quantum physics in upper scientific secondary school in France. Here, the problematic reference of quantum theory's concepts is treated at the ontological level (the counterintuitive nature of quantum objects). We consider the approach of using narratives describing possible alternative worlds to address the issue. These possible worlds are based on the counterfactual logic developed in the work of D. Lewis. We will show that the narratives written by G. Gamow describe such possible worlds. Some parts of these narratives are found in textbooks in France. These worlds are governed by laws similar to but importantly different from those in our real world. They allow us to materialize properties inaccessible to everyday experience. In this sense, these fiction stories make ontological propositions concerning the nature and structure of the fundamental elements of our physical universe.

  1. Thermodynamics properties study of diatomic molecules with q-deformed modified Poschl-Teller plus Manning Rosen non-central potential in D dimensions using SUSYQM approach

    NASA Astrophysics Data System (ADS)

    Suparmi, A.; Cari, C.; Pratiwi, B. N.

    2016-04-01

    D-dimensional Dirac equation of q-deformed modified Poschl-Teller plus Manning Rosen non-central potential was solved using supersymmetric quantum mechanics (SUSY QM). The relativistic energy spectra were analyzed by using SUSY QM and shape invariant properties from radial part of D dimensional Dirac equation and the angular quantum numbers were obtained from angular part of D dimensional Dirac equation. The SUSY operators was used to generate the D dimensional relativistic wave functions both for radial and angular parts. In the non-relativistic limit, the relativistic energy equation was reduced to the non-relativistic energy. In the classical limit, the partition function of vibrational, the specific heat of vibrational, and the mean energy of vibrational of some diatomic molecules were calculated from the equation of non-relativistic energy with the help of error function and Mat-lab 2011.

  2. Calculation and analysis on bolts on the slope of Xigeda soil

    NASA Astrophysics Data System (ADS)

    Wang, Wei; Chen, Wei; Long, Wei; Die, Jian

    2018-03-01

    In this paper, the commonly-used full-length bonded bolt in Xigeda soil and its slope support engineering is taken as the research object, applying the mechanical property indicator of Xigeda soil and two existing bolt load transmission mechanism and calculation theory, so that two calculation formulas of anchoring forces can be deduced, and verified by the experimental data. This paper has certain practical significance.

  3. Application of polynomial su(1, 1) algebra to Pöschl-Teller potentials

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

    Zhang, Hong-Biao, E-mail: zhanghb017@nenu.edu.cn; Lu, Lu

    2013-12-15

    Two novel polynomial su(1, 1) algebras for the physical systems with the first and second Pöschl-Teller (PT) potentials are constructed, and their specific representations are presented. Meanwhile, these polynomial su(1, 1) algebras are used as an algebraic technique to solve eigenvalues and eigenfunctions of the Hamiltonians associated with the first and second PT potentials. The algebraic approach explores an appropriate new pair of raising and lowing operators K-circumflex{sub ±} of polynomial su(1, 1) algebra as a pair of shift operators of our Hamiltonians. In addition, two usual su(1, 1) algebras associated with the first and second PT potentials are derivedmore » naturally from the polynomial su(1, 1) algebras built by us.« less

  4. Beta-decay rates of FP shell nuclei with A greater than 60 in massive stars at the presupernova stage

    NASA Astrophysics Data System (ADS)

    Kar, K.; Ray, A.; Sarkar, S.

    1994-10-01

    Beta decay and electron capture on a number of neutron-rich nuclei with A greater than 60 at the presupernova stage may play an important role in determining the hydrostatic core structure of massive presupernova stars and, through this, affect the subsequent evolution during the gravitational collapse and supernova explosion phases. In particular, some isotopes of cobalt and copper can make a substantial contribution to the overall changes in the lepton fraction and entropy of the stellar core during its very late stage of evolution. In the stellar evolution calculations to date, many of these nuclei could not be appropriately tracked in the reaction network, since reliable rates for these have not been available so far. We describe a model to calculate the beta-decay rates using an average beta strength function and an electron phase-space factor evaluated for typical presupernova matter density (rho = 3 x 107-3 x 109 g/cu cm) and temperature (T = (2-5) x 109 K). For the Gamnow-Teller (GT) strength function we use a sum rule calculated by the spectral distribution theory, and the centroid of the distribution is obtained from experimental data on (p, n) reactions. The width sigma of the GT strength function has two parts (sigma2 = (sigmaN exp 2 + (sigmaC exp 2, with sigmaC = 0.157ZA-1/3). The parameter sigmaN is fixed by a best fit to the observed half-lives for the free decays of a number of A greater than 60 nuclei. In the calculation of rates we include contributions from the excited states of the mother nucleus wherever they are known experimentally. For the excited states one uses the same form of the GT strength function, but shifted in energy using the extended isobaric analog state argument. The method is particularly suited for calculating contributions from the excited states important at high temperatures relevant at the presupernova stellar evolution phase. We also include the contributions to the transition rates from the Gamow-Teller resonance states

  5. Deducing Reaction Mechanism: A Guide for Students, Researchers, and Instructors

    ERIC Educational Resources Information Center

    Meek, Simon J.; Pitman, Catherine L.; Miller, Alexander J. M.

    2016-01-01

    An introductory guide to deducing the mechanism of chemical reactions is presented. Following a typical workflow for probing reaction mechanism, the guide introduces a wide range of kinetic and mechanistic tools. In addition to serving as a broad introduction to mechanistic analysis for students and researchers, the guide has also been used by…

  6. The Jahn-Teller distortion influenced ferromagnetic order in Pr1-xLaxMnO3

    NASA Astrophysics Data System (ADS)

    He, Feifei; Mao, Zhongquan; Tang, Lingyun; Zhang, Jiang; Chen, Xi

    2018-06-01

    The structural and magnetic properties of Pr1-xLaxMnO3 (0 ≤ x ≤ 1) polycrystalline powders are investigated. A structural phase transition from a large Jahn-Teller (J-T) distorted orthorhombic structure to a small J-T distorted orthorhombic phase is found at x = 0.70, while the LaMnO3 is showed to have a rhombohedral structure. All the samples exhibit ferromagnetic ordering, and meanwhile, a reentrant spin glass behavior at low temperature. The relationship between J-T distortions and the ferromagnetic order is discussed.

  7. Optimization and performance calculation of dual-rotation propellers

    NASA Technical Reports Server (NTRS)

    Davidson, R. E.

    1981-01-01

    An analysis is given which enables the design of dual-rotation propellers. It relies on the use of a new tip loss factor deduced from T. Theodorsen's measurements coupled with the general methodology of C. N. H. Lock. In addition, it includes the effect of drag in optimizing. Some values for the tip loss factor are calculated for one advance ratio.

  8. Low-spin structure of 51,35,86Br and 50,36,86Kr nuclei: The role of the g7 /2 neutron orbital

    NASA Astrophysics Data System (ADS)

    Urban, W.; Sieja, K.; Materna, T.; Czerwiński, M.; Rząca-Urban, T.; Blanc, A.; Jentschel, M.; Mutti, P.; Köster, U.; Soldner, T.; de France, G.; Simpson, G. S.; Ur, C. A.; Bernards, C.; Fransen, C.; Jolie, J.; Regis, J.-M.; Thomas, T.; Warr, N.

    2016-10-01

    Low-spin excited levels in 51,35,86Br and 50,36,86Kr, populated following β- decay and the neutron-induced fission of 235U, were measured using the Lohengrin fission-fragment separator and the EXILL array of Ge detectors at the PF1B cold-neutron facility of the Institute Laue-Langevin Grenoble. Improved populations of excited levels in 86Br remove inconsistencies existing in the literature on this nucleus. Directional-linear-polarization correlations, analyzed using newly developed formulas, as well as precise angular correlations allowed the unique 1- and 2- spin and parity assignments to the ground state of 86Br and the 4016.3-keV level in 86Kr, respectively. Based on these results we propose that the Gamow-Teller β- decays of 86Se and 86Br involve the ν g7 /2→π g9 /2 transition in addition to the ν p3 /2→π p3 /2 transition proposed earlier. In 86Kr we have identified 11+, 23+, and 31+ levels, analogous to the mixed-symmetry states in 94Mo, which in 86Kr are from proton excitations, only. Large-scale, shell-model calculations with refined interactions reproduce well excitations in 86Br and 86Kr and support our interpretations.

  9. Experimental investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part II. Vibrational analysis of the A 2E"3-X 2E"2 electronic transition.

    PubMed

    Sioutis, Ilias; Stakhursky, Vadim L; Tarczay, György; Miller, Terry A

    2008-02-28

    Laser-induced fluorescence (LIF) and laser-excited dispersed fluorescence (LEDF) spectra of the cycloheptatrienyl (tropyl) radical C7H7 have been observed under supersonic jet-cooling conditions. Assignment of the LIF excitation spectrum yields detailed information about the A-state vibronic structure. The LEDF emission was collected by pumping different vibronic bands of the A 2E"3<--X 2E"2 electronic spectrum. Analysis of the LEDF spectra yields valuable information about the vibronic levels of the X 2E"2 state. The X- and A-state vibronic structures characterize the Jahn-Teller distortion of the respective potential energy surfaces. A thorough analysis reveals observable Jahn-Teller activity in three of the four e'3 modes for the X 2E"2 state and two of the three e'1 modes for the A 2E"3 state and provides values for their deperturbed vibrational frequencies as well as linear Jahn-Teller coupling constants. The molecular parameters characterizing the Jahn-Teller interaction in the X and A states of C7H7 are compared to theoretical results and to those previously obtained for C5H5 and C6H6+.

  10. Deducing noninductive current profile from surface voltage evolution

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

    Litwin, C.; Wukitch, S.; Hershkowitz, N.

    Solving the resistive diffusion equation in the presence of a noninductive current source determines the time-evolution of the surface voltage. By inverting the problem the current drive profile can be determined from the surface voltage evolution. We show that under wide range of conditions the deduced profile is unique. If the conductivity profile is known, this method can be employed to infer the noninductive current profile, and, ipso facto, the profile of the total current. We discuss the application of this method to analyze the Alfven wave current drive experiments in Phaedrus-T.

  11. Quantified Gamow shell model interaction for p s d -shell nuclei

    NASA Astrophysics Data System (ADS)

    Jaganathen, Y.; Betan, R. M. Id; Michel, N.; Nazarewicz, W.; Płoszajczak, M.

    2017-11-01

    Background: The structure of weakly bound and unbound nuclei close to particle drip lines is one of the major science drivers of nuclear physics. A comprehensive understanding of these systems goes beyond the traditional configuration interaction approach formulated in the Hilbert space of localized states (nuclear shell model) and requires an open quantum system description. The complex-energy Gamow shell model (GSM) provides such a framework as it is capable of describing resonant and nonresonant many-body states on equal footing. Purpose: To make reliable predictions, quality input is needed that allows for the full uncertainty quantification of theoretical results. In this study, we carry out the optimization of an effective GSM (one-body and two-body) interaction in the p s d f -shell-model space. The resulting interaction is expected to describe nuclei with 5 ≤A ≲12 at the p -s d -shell interface. Method: The one-body potential of the 4He core is modeled by a Woods-Saxon + spin-orbit + Coulomb potential, and the finite-range nucleon-nucleon interaction between the valence nucleons consists of central, spin-orbit, tensor, and Coulomb terms. The GSM is used to compute key fit observables. The χ2 optimization is performed using the Gauss-Newton algorithm augmented by the singular value decomposition technique. The resulting covariance matrix enables quantification of statistical errors within the linear regression approach. Results: The optimized one-body potential reproduces nucleon-4He scattering phase shifts up to an excitation energy of 20 MeV. The two-body interaction built on top of the optimized one-body field is adjusted to the bound and unbound ground-state binding energies and selected excited states of the helium, lithium, and beryllium isotopes up to A =9 . A very good agreement with experimental results was obtained for binding energies. First applications of the optimized interaction include predictions for two-nucleon correlation densities

  12. Quantified Gamow shell model interaction for p s d -shell nuclei

    DOE PAGES

    Jaganathen, Y.; Betan, R. M. Id; Michel, N.; ...

    2017-11-20

    Background: The structure of weakly bound and unbound nuclei close to particle drip lines is one of the major science drivers of nuclear physics. A comprehensive understanding of these systems goes beyond the traditional configuration interaction approach formulated in the Hilbert space of localized states (nuclear shell model) and requires an open quantum system description. The complex-energy Gamow shell model (GSM) provides such a framework as it is capable of describing resonant and nonresonant many-body states on equal footing. Purpose: To make reliable predictions, quality input is needed that allows for the full uncertainty quantification of theoretical results. In thismore » study, we carry out the optimization of an effective GSM (one-body and two-body) interaction in the psdf-shell-model space. The resulting interaction is expected to describe nuclei with 5 ≤ A ≲ 12 at the p-sd-shell interface. Method: The one-body potential of the 4He core is modeled by a Woods-Saxon + spin-orbit + Coulomb potential, and the finite-range nucleon-nucleon interaction between the valence nucleons consists of central, spin-orbit, tensor, and Coulomb terms. The GSM is used to compute key fit observables. The χ 2 optimization is performed using the Gauss-Newton algorithm augmented by the singular value decomposition technique. The resulting covariance matrix enables quantification of statistical errors within the linear regression approach. Results: The optimized one-body potential reproduces nucleon- 4He scattering phase shifts up to an excitation energy of 20 MeV. The two-body interaction built on top of the optimized one-body field is adjusted to the bound and unbound ground-state binding energies and selected excited states of the helium, lithium, and beryllium isotopes up to A = 9 . A very good agreement with experimental results was obtained for binding energies. First applications of the optimized interaction include predictions for two-nucleon correlation

  13. Precision half-life measurement of 11C: The most precise mirror transition F t value

    NASA Astrophysics Data System (ADS)

    Valverde, A. A.; Brodeur, M.; Ahn, T.; Allen, J.; Bardayan, D. W.; Becchetti, F. D.; Blankstein, D.; Brown, G.; Burdette, D. P.; Frentz, B.; Gilardy, G.; Hall, M. R.; King, S.; Kolata, J. J.; Long, J.; Macon, K. T.; Nelson, A.; O'Malley, P. D.; Skulski, M.; Strauss, S. Y.; Vande Kolk, B.

    2018-03-01

    Background: The precise determination of the F t value in T =1 /2 mixed mirror decays is an important avenue for testing the standard model of the electroweak interaction through the determination of Vu d in nuclear β decays. 11C is an interesting case, as its low mass and small QE C value make it particularly sensitive to violations of the conserved vector current hypothesis. The present dominant source of uncertainty in the 11CF t value is the half-life. Purpose: A high-precision measurement of the 11C half-life was performed, and a new world average half-life was calculated. Method: 11C was created by transfer reactions and separated using the TwinSol facility at the Nuclear Science Laboratory at the University of Notre Dame. It was then implanted into a tantalum foil, and β counting was used to determine the half-life. Results: The new half-life, t1 /2=1220.27 (26 ) s, is consistent with the previous values but significantly more precise. A new world average was calculated, t1/2 world=1220.41 (32 ) s, and a new estimate for the Gamow-Teller to Fermi mixing ratio ρ is presented along with standard model correlation parameters. Conclusions: The new 11C world average half-life allows the calculation of a F tmirror value that is now the most precise value for all superallowed mixed mirror transitions. This gives a strong impetus for an experimental determination of ρ , to allow for the determination of Vu d from this decay.

  14. Isospin-symmetry-breaking effects in A˜70 nuclei within beyond-mean-field approach

    NASA Astrophysics Data System (ADS)

    Petrovici, A.; Andrei, O.

    2015-02-01

    Particular isospin-symmetry-breaking probes including Coulomb energy differences (CED), mirror energy differences (MED), and triplet energy differences (TED) manifest anomalies in the A˜70 isovector triplets of nuclei. The structure of proton-rich nuclei in the A˜70 mass region suggests shape coexistence and competition between pairing correlations in different channels. Recent results concerning the interplay between isospin-mixing and shape-coexistence effects on exotic phenomena in A˜70 nuclei obtained within the beyond-mean-field complex Excited Vampir variational model with symmetry projection before variation using a realistic effective interaction in a relatively large model space are presented. Excited Vampir predictions concerning the Gamow-Teller β decay to the odd-odd N=Z 66As and 70Br nuclei correlated with the pair structure analysis in the T=1 and T=0 channel of the involved wave functions are discussed.

  15. Constraining Nuclear Weak Interactions in Astrophysics and New Many-Core Algorithms for Neuroevolution

    NASA Astrophysics Data System (ADS)

    Sullivan, Christopher James

    Weak interactions involving atomic nuclei are critical components in a broad range of as- trophysical phenomenon. As allowed Gamow-Teller transitions are the primary path through which weak interactions in nuclei operate in astrophysical contexts, the constraint of these nuclear transitions is an important goal of nuclear astrophysics. In this work, the charged current nuclear weak interaction known as electron capture is studied in the context of stellar core-collapse supernovae (CCSNe). Specifically, the sensitivity of the core-collapse and early post-bounce phases of CCSNe to nuclear electron capture rates are examined. Electron capture rates are adjusted by factors consistent with uncer- tainties indicated by comparing theoretical rates to those deduced from charge-exchange and beta-decay measurements. With the aide of such sensitivity studies, the diverse role of electron capture on thousands of nuclear species is constrained to a few tens of nuclei near N 50 and A 80 which dictate the primary response of CCSNe to nuclear electron capture. As electron capture is shown to be a leading order uncertainty during the core-collapse phase of CCSNe, future experimental and theoretical efforts should seek to constrain the rates of nuclei in this region. Furthermore, neutral current neutrino-nuclear interactions in the tens-of-MeV energy range are important in a variety of astrophysical environments including core-collapse super- novae as well as in the synthesis of some of the solar systems rarest elements. Estimates for inelastic neutrino scattering on nuclei are also important for neutrino detector construction aimed at the detection of astrophysical neutrinos. Due to the small cross sections involved, direct measurements are rare and have only been performed on a few nuclei. For this rea- son, indirect measurements provide a unique opportunity to constrain the nuclear transition strength needed to infer inelastic neutrino-nucleus cross sections. Herein the (6Li, 6

  16. Density functional theory study on Herzberg-Teller contribution in Raman scattering from 4-aminothiophenol-metal complex and metal-4-aminothiophenol-metal junction

    NASA Astrophysics Data System (ADS)

    Liu, Shasha; Zhao, Xiuming; Li, Yuanzuo; Zhao, Xiaohong; Chen, Maodu

    2009-06-01

    Density functional theory (DFT) and time-dependent DFT calculations have been performed to investigate the Raman scattering spectra of metal-molecule complex and metal-molecule-metal junction architectures interconnected with 4-aminothiophenol (PATP) molecule. The simulated profiles of normal Raman scattering (NRS) spectra for the two complexes (Ag2-PATP and PATP-Au2) and the two junctions (Ag2-PATP-Au2 and Au2-PATP-Ag2) are similar to each other, but exhibit obviously different Raman intensities. Due to the lager static polarizabilities of the two junctions, which directly influence the ground state chemical enhancement in NRS spectra, the calculated normal Raman intensities of them are stronger than those of two complexes by the factor of 102. We calculate preresonance Raman scattering (RRS) spectra with incident light at 1064 nm, which is much lower than the S1 electronic transition energy of complexes and junctions. Ag2-PATP-Au2 and Au2-PATP-Ag2 junctions yield higher Raman intensities than those of Ag2-PATP and PATP-Au2 complexes, especially for b2 modes. This effect is mainly attributed to charge transfer (CT) between the metal gap and the PAPT molecule which results in the occurrence of CT resonance enhancement. The calculated pre-RRS spectra strongly depend on the electronic transition state produced by new structures. With excitation at 514.5 nm, the calculated pre-RRS spectra of two complexes and two junctions are stronger than those of with excitation at 1064 nm. A charge difference densities methodology has been used to visually describe chemical enhancement mechanism of RRS spectrum. This methodology aims at visualizing intermolecular CT which provides direct evidence of the Herzberg-Teller mechanism.

  17. Thermal and composition driven phase transition in the co-operative Jahn-Teller distorted Zn1-xCuxCr2O4 spinel

    NASA Astrophysics Data System (ADS)

    Saraswathy, S.; Kalavathi, S.; Rajamadhavan, R.; Asuvathraman, R.

    2018-04-01

    Phase pure poly crystalline powder samples of spinel compounds with formula Zn1-xCuxCr2O4 have been synthesized. It is found that for a critical concentration of Cu with x=0.58 cubic structure of the parent ZnCr2O4 transforms into a tetragonal structure. The well-known co-operative Jahn-Teller effect induces the structural transition and the observed variation of lattice parameters as a function of Cu substitution displays the role of strain. Thermally driven destruction of the co-operative Jahn-Teller effect and the resultant reverting back to cubic structure is observed to complete at 850 K and 373 K in pristine CuCr2O4 and Zn0.4Cu0.6Cr2O4. A first order transition observed for Zn0.4Cu0.6Cr2O4 is at variance with the continuous transition observed in the literature for Mg0.46Cu0.54Cr2O4.

  18. Analysis of the workload of bank tellers of a Brazilian public institution.

    PubMed

    Serikawa, Simoni S; Albieri, Ana Carolina S; Bonugli, Gustavo P; Greghi, Marina F

    2012-01-01

    During the last decades there have been many changes in the banking sector organization. It has been also observed the mutual growing of musculoskeletal and mental disorders. This study investigated the workload of bank tellers at a Brazilian public institution. It was performed the Ergonomic Work Analysis (EWA). Three employees participated in this study. During the analysis process, three research instruments were applied: Inventory of Work and Risk of Illness, Yoshitake Fatigue Questionnaire and Nordic Musculoskeletal Questionnaire, beyond the realization of footage recordings and the self-confrontation. The results indicated the existence of an excess of workload on the evaluated workstations, mainly in relation to mental order constraints, that overlaps the physical aspects. Thereby it was found that the employees tend to adopt strategies trying to reduce the impacts of the excess of workload, in order to regulate it.

  19. A blind trial evaluation of a crime scene methodology for deducing impact velocity and droplet size from circular bloodstains.

    PubMed

    Hulse-Smith, Lee; Illes, Mike

    2007-01-01

    In a previous study, mechanical engineering models were utilized to deduce impact velocity and droplet volume of circular bloodstains by measuring stain diameter and counting spines radiating from their outer edge. A blind trial study was subsequently undertaken to evaluate the accuracy of this technique, using an applied, crime scene methodology. Calculations from bloodstains produced on paper, drywall, and wood were used to derive surface-specific equations to predict 39 unknown mock crime scene bloodstains created over a range of impact velocities (2.2-5.7 m/sec) and droplet volumes (12-45 microL). Strong correlations were found between expected and observed results, with correlation coefficients ranging between 0.83 and 0.99. The 95% confidence limit associated with predictions of impact velocity and droplet volume was calculated for paper (0.28 m/sec, 1.7 microL), drywall (0.37 m/sec, 1.7 microL), and wood (0.65 m/sec, 5.2 microL).

  20. DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

    NASA Astrophysics Data System (ADS)

    Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

    2008-09-01

    Structures of the [M(bpy) 3] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1E MLCT excited state.

  1. Electron diffusion deduced from eiscat

    NASA Astrophysics Data System (ADS)

    Roettger, J.; Fukao, S.

    The EISCAT Svalbard Radar (ESR) operates on 500 MHz; collocated with it is the SOUSY Svalbard Radar (SSR), which operates on 53.5 MHz. We have used both radars during Polar Mesosphere Summer Echoes (PMSE) coherent scatter conditions, where the ESR can also detect incoherent scatter and thus allows to estimate the electron density. We describe obser-vations during two observing periods in summer 1999 and 2000. Well calibrated sig-nal power was obtained with both radars, from which we deduced the radar reflec-tivity. Estimating the turbulence dissipation rate from the narrow beam observations of PMSE with the ESR, using the estimate of the electron density and the radar reflec-tivity on both frequencies we can obtain estimates of the Schmidt number by compar-ing our observational results with the model of Cho and Kelley (1993). Schmidt num-bers of at least 100 are necessary to obtain the measured radar reflectivities, which ba-sically support the model of Cho and Kelley claiming that the inertial-viscous subrange in the electron gas can extend down to small scales of some ten centimeters (namely, the Bragg scale of the ESR).

  2. Developments for the 6He beta - nu angular correlation experiment

    NASA Astrophysics Data System (ADS)

    Zumwalt, David W.

    This thesis describes developments toward the measurement of the angular correlation between the beta and the antineutrino in the beta decay of 6He. This decay is a pure Gamow-Teller decay which is described in the Standard Model as a purely axial vector weak interaction. The angular correlation is characterized by the parameter abetanu = -1/3 in the Standard Model. Any deviation from this value would be evidence for tensor components in the weak interaction and would constitute new physics. A new method will be used to measure the parameter a betanu from 6He decays, featuring a magneto-optical trap that will measure the beta particle in coincidence with the recoiling 6Li daughter ion. This neutral atom trapping scheme provides cold, tightly confined atoms which will reduce systematic uncertainties related to the initial position of the decay. By knowing the initial position of the decay and measuring the time of flight of the recoiling 6Li daughter ion in coincidence with the beta, the angular correlation between the beta and the antineutrino can be deduced. We aim to measure a betanu first to the level of 1%, and eventually to the 0.1% level, which would represent an order of magnitude improvement in precision over past experiments. Towards this goal, we have designed, built, and successfully tested a liquid lithium target to provide >2×10. {10} 6He atoms/sto a low-background environment, which is the most intense source of 6He presently available. This allowed for an additional measurement of the 6He half-life (806.89 +/- 0.11stat +0.23-0.19syst ms) to be made with unprecedented precision, resolving discrepancies in past measurements. We have also tested our trapping and detection apparatus and have begun to record preliminary coincidence events.

  3. A robust and effective time-independent route to the calculation of Resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects

    PubMed Central

    Egidi, Franco; Bloino, Julien; Cappelli, Chiara; Barone, Vincenzo

    2015-01-01

    We present an effective time-independent implementation to model vibrational resonance Raman (RR) spectra of medium-large molecular systems with the inclusion of Franck-Condon (FC) and Herzberg-Teller (HT) effects and a full account of the possible differences between the harmonic potential energy surfaces of the ground and resonant electronic states. Thanks to a number of algorithmic improvements and very effective parallelization, the full computations of fundamentals, overtones, and combination bands can be routinely performed for large systems possibly involving more than two electronic states. In order to improve the accuracy of the results, an effective inclusion of the leading anharmonic effects is also possible, together with environmental contributions under different solvation regimes. Reduced-dimensionality approaches can further enlarge the range of applications of this new tool. Applications to imidazole, pyrene, and chlorophyll a1 in solution are reported, as well as comparisons with available experimental data. PMID:26550003

  4. Isospin-symmetry-breaking effects in A∼70 nuclei within beyond-mean-field approach

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

    Petrovici, A.; Andrei, O.

    2015-02-24

    Particular isospin-symmetry-breaking probes including Coulomb energy differences (CED), mirror energy differences (MED), and triplet energy differences (TED) manifest anomalies in the A∼70 isovector triplets of nuclei. The structure of proton-rich nuclei in the A∼70 mass region suggests shape coexistence and competition between pairing correlations in different channels. Recent results concerning the interplay between isospin-mixing and shape-coexistence effects on exotic phenomena in A∼70 nuclei obtained within the beyond-mean-field complex Excited Vampir variational model with symmetry projection before variation using a realistic effective interaction in a relatively large model space are presented. Excited Vampir predictions concerning the Gamow-Teller β decay to themore » odd-odd N=Z {sup 66}As and {sup 70}Br nuclei correlated with the pair structure analysis in the T=1 and T=0 channel of the involved wave functions are discussed.« less

  5. Calculations concerning the HCO(+)/HOC(+) abundance ratio in dense interstellar clouds

    NASA Technical Reports Server (NTRS)

    Defrees, D. J.; Mclean, A. D.; Herbst, E.

    1984-01-01

    Calculations have been performed to determine the rate coefficients of several reactions involved in both the formation and depletion of interstellar HCO(+) and HOC(+). The abundance of HOC(+) deduced from these calculations is consistent with the tentative identification of HOC(+) in Sgr B2 by Woods et al. (1983). The large HCO(+)/HOC(+) abundance ratio observed by Woods et al. is due at least in part to a more rapid formation rate for HCO(+) and probably due as well to a more rapid depletion rate for HOC(+).

  6. An Exact Formula for Calculating Inverse Radial Lens Distortions

    PubMed Central

    Drap, Pierre; Lefèvre, Julien

    2016-01-01

    This article presents a new approach to calculating the inverse of radial distortions. The method presented here provides a model of reverse radial distortion, currently modeled by a polynomial expression, that proposes another polynomial expression where the new coefficients are a function of the original ones. After describing the state of the art, the proposed method is developed. It is based on a formal calculus involving a power series used to deduce a recursive formula for the new coefficients. We present several implementations of this method and describe the experiments conducted to assess the validity of the new approach. Such an approach, non-iterative, using another polynomial expression, able to be deduced from the first one, can actually be interesting in terms of performance, reuse of existing software, or bridging between different existing software tools that do not consider distortion from the same point of view. PMID:27258288

  7. Absence of Jahn-Teller transition in the hexagonal Ba 3CuSb 2O 9 single crystal

    DOE PAGES

    Katayama, Naoyuki; Kimura, Kenta; Han, Yibo; ...

    2015-07-13

    With decreasing temperature, liquids generally freeze into a solid state, losing entropy in the process. However, exceptions to this trend exist, such as quantum liquids, which may remain unfrozen down to absolute zero owing to strong quantum entanglement effects that stabilize a disordered state with zero entropy. Examples of such liquids include Bose-Einstein condensation of cold atoms, superconductivity, quantum Hall state of electron systems, and quantum spin liquid state in the frustrated magnets. Furthermore, recent studies have clarified the possibility of another exotic quantum liquid state based on the spin-orbital entanglement in FeSc2S4. To confirm this exotic ground state, experimentsmore » based on single-crystalline samples are essential. However, no such single-crystal study has been reported to date. Here, we report, to our knowledge, the first single-crystal study on the spin-orbital liquid candidate, 6H-Ba3CuSb2O9, and we have confirmed the absence of an orbital frozen state. In strongly correlated electron systems, orbital ordering usually appears at high temperatures in a process accompanied by a lattice deformation, called a static Jahn-Teller distortion. By combining synchrotron X-ray diffraction, electron spin resonance, Raman spectroscopy, and ultrasound measurements, we find that the static Jahn-Teller distortion is absent in the present material, which indicates that orbital ordering is suppressed down to the lowest temperatures measured. Lastly, we discuss how such an unusual feature is realized with the help of spin degree of freedom, leading to a spin-orbital entangled quantum liquid state.« less

  8. High precision analytical description of the allowed β spectrum shape

    NASA Astrophysics Data System (ADS)

    Hayen, Leendert; Severijns, Nathal; Bodek, Kazimierz; Rozpedzik, Dagmara; Mougeot, Xavier

    2018-01-01

    A fully analytical description of the allowed β spectrum shape is given in view of ongoing and planned measurements. Its study forms an invaluable tool in the search for physics beyond the standard electroweak model and the weak magnetism recoil term. Contributions stemming from finite size corrections, mass effects, and radiative corrections are reviewed. Particular focus is placed on atomic and chemical effects, where the existing description is extended and analytically provided. The effects of QCD-induced recoil terms are discussed, and cross-checks were performed for different theoretical formalisms. Special attention was given to a comparison of the treatment of nuclear structure effects in different formalisms. Corrections were derived for both Fermi and Gamow-Teller transitions, and methods of analytical evaluation thoroughly discussed. In its integrated form, calculated f values were in agreement with the most precise numerical results within the aimed for precision. The need for an accurate evaluation of weak magnetism contributions was stressed, and the possible significance of the oft-neglected induced pseudoscalar interaction was noted. Together with improved atomic corrections, an analytical description was presented of the allowed β spectrum shape accurate to a few parts in 10-4 down to 1 keV for low to medium Z nuclei, thereby extending the work by previous authors by nearly an order of magnitude.

  9. The ``Folk Theorem'' on effective field theory: How does it fare in nuclear physics?

    NASA Astrophysics Data System (ADS)

    Rho, Mannque

    2017-10-01

    This is a brief history of what I consider as very important, some of which truly seminal, contributions made by young Korean nuclear theorists, mostly graduate students working on PhD thesis in 1990s and early 2000s, to nuclear effective field theory, nowadays heralded as the first-principle approach to nuclear physics. The theoretical framework employed is an effective field theory anchored on a single scale-invariant hidden local symmetric Lagrangian constructed in the spirit of Weinberg's "Folk Theorem" on effective field theory. The problems addressed are the high-precision calculations on the thermal np capture, the solar pp fusion process, the solar hep process — John Bahcall's challenge to nuclear theorists — and the quenching of g A in giant Gamow-Teller resonances and the whopping enhancement of first-forbidden beta transitions relevant in astrophysical processes. Extending adventurously the strategy to a wild uncharted domain in which a systematic implementation of the "theorem" is far from obvious, the same effective Lagrangian is applied to the structure of compact stars. A surprising, unexpected, result on the properties of massive stars, totally different from what has been obtained up to day in the literature, is predicted, such as the precocious onset of conformal sound velocity together with a hint for the possible emergence in dense matter of hidden symmetries such as scale symmetry and hidden local symmetry.

  10. Study of Various Types of Resonances within the Phonon Damping Model

    NASA Astrophysics Data System (ADS)

    Dang, Nguyen Dinh

    2001-10-01

    The main successes of the Phonon Damping Model (PDM)(N. Dinh Dang and A. Arima, Phys. Rev. Lett. 80), 4145 (1998); Nucl. Phys. A 636, 427 (1998); N. Dinh Dang, K. Tanabe, and A. Arima, Phys. Rev. C 58, 3374 (1998). are presented in the description of: 1) the giant dipole resonance (GDR) in highly excited nuclei, 2) the double giant dipole resonance (DGDR) and multiple phonon resonances, 3) the Gamow-Teller resonance (GTR), and 4) the damping of pygmy dipole resonance (PDR) in neutron-rich nuclei. The analyses of results of numerical calculations are discussed in comparison with the experimental systematics on i) the width and the shape of the GDR at finite temperature ^1,(N. Dinh Dang et al., Phys. Rev. C 61), 027302 (2000). and angular momentum(N. Dinh Dang, Nucl. Phys. A 687), 261c (2001). for tin isotopes , ii) the electromagnetic cross sections of DGDR for ^136Xe and ^208Pb on a lead target at relativistic energies(N. Dinh Dang, V. Kim Au, and A. Arima, Phys. Rev. Lett. 85), 1827 (2000)., iii) the strength function of GTR(N. Dinh Dang, T. Suzuki, and A. Arima, Preprint RIKEN-AF-NF 377 (2000), submitted.), and iv) the PDR in oxygen and calcium isotopes(N. Dinh Dang et al., Phys. Rev. C 63), 044302 (2001)..

  11. A proof of the DBRF-MEGN method, an algorithm for deducing minimum equivalent gene networks

    PubMed Central

    2011-01-01

    Background We previously developed the DBRF-MEGN (difference-based regulation finding-minimum equivalent gene network) method, which deduces the most parsimonious signed directed graphs (SDGs) consistent with expression profiles of single-gene deletion mutants. However, until the present study, we have not presented the details of the method's algorithm or a proof of the algorithm. Results We describe in detail the algorithm of the DBRF-MEGN method and prove that the algorithm deduces all of the exact solutions of the most parsimonious SDGs consistent with expression profiles of gene deletion mutants. Conclusions The DBRF-MEGN method provides all of the exact solutions of the most parsimonious SDGs consistent with expression profiles of gene deletion mutants. PMID:21699737

  12. Ab initio theory of spin-orbit coupling for quantum bits in diamond exhibiting dynamic Jahn-Teller effect

    NASA Astrophysics Data System (ADS)

    Gali, Adam; Thiering, Gergő

    Dopants in solids are promising candidates for implementations of quantum bits for quantum computing. In particular, the high-spin negatively charged nitrogen-vacancy defect (NV) in diamond has become a leading contender in solid-state quantum information processing. The initialization and readout of the spin is based on the spin-selective decay of the photo-excited electron to the ground state which is mediated by spin-orbit coupling between excited states states and phonons. Generally, the spin-orbit coupling plays a crucial role in the optical spinpolarization and readout of NV quantum bit (qubit) and alike. Strong electron-phonon coupling in dynamic Jahn-Teller (DJT) systems can substantially influence the effective strength of spin-orbit coupling. Here we show by ab initio supercell density functional theory (DFT) calculations that the intrinsic spin-orbit coupling is strongly damped by DJT effect in the triplet excited state that has a consequence on the rate of non-radiative decay. This theory is applied to the ground state of silicon-vacancy (SiV) and germanium-vacancy (GeV) centers in their negatively charged state that can also act like qubits. We show that the intrinsic spin-orbit coupling in SiV and GeV centers is in the 100 GHz region, in contrast to the NV center of 10 GHz region. Our results provide deep insight in the nature of SiV and GeV qubits in diamond. EU FP7 DIADEMS project (Contract No. 611143).

  13. Constraints on filament models deduced from dynamical analysis

    NASA Technical Reports Server (NTRS)

    Simon, G.; Schmieder, B.; Demoulin, P.; Malherbe, J. M.; Poland, A. I.

    1986-01-01

    The conclusions deduced from simultaneous observations with the Ultra-Violet Spectrometer and Polarimeter (UVSP) on the Solar Maximum Mission satellite, and the Multichannel Subtractive Double Pass (MSPD) spectrographs at Meudon and Pic du Midi observatories are presented. The observations were obtained in 1980 and 1984. All instruments have almost the same field of view and provide intensity and velocity maps at two temperatures. The resolution is approx. 0.5 to 1.5" for H alpha line and 3" for C IV. The high resolution and simultaneity of the two types of observations allows a more accurate description of the flows in prominences as functions of temperature and position. The results put some contraints on the models and show that dynamical aspects must be taken into account.

  14. Jahn-Teller versus quantum effects in the spin-orbital material LuVO 3

    DOE PAGES

    Skoulatos, M.; Toth, S.; Roessli, B.; ...

    2015-04-13

    In this article, we report on combined neutron and resonant x-ray scattering results, identifying the nature of the spin-orbital ground state and magnetic excitations in LuVO 3 as driven by the orbital parameter. In particular, we distinguish between models based on orbital-Peierls dimerization, taken as a signature of quantum effects in orbitals, and Jahn-Teller distortions, in favor of the latter. In order to solve this long-standing puzzle, polarized neutron beams were employed as a prerequisite in order to solve details of the magnetic structure, which allowed quantitative intensity analysis of extended magnetic-excitation data sets. The results of this detailed studymore » enabled us to draw definite conclusions about the classical versus quantum behavior of orbitals in this system and to discard the previous claims about quantum effects dominating the orbital physics of LuVO 3 and similar systems.« less

  15. The Jahn-Teller effect in (hu+)2⊗hg systems

    NASA Astrophysics Data System (ADS)

    Hands, Ian D.; Diery, Wajood A.; Dunn, Janette L.; Bates, Colin A.

    2007-07-01

    A general consideration is made of the vibronic coupling in a (hu+)2⊗hg Jahn-Teller system, that is to say, a system in which two holes of Hu symmetry are coupled to vibrations of hg symmetry. We find that the resulting high-spin states may undergo spontaneous distortion into species exhibiting one of the following four possible symmetries: D5 d, D3 d, D2 h or C2 h. The system may be viewed as a first approximation to a C602+ ion, but our intention here is to make a general consideration of the model without application to any specific molecular system. Coulombic interactions between holes, which must be important in real systems, are therefore ignored throughout. However, they could be included in the model, if required, using the method described in an earlier work [I.D. Hands, J.L. Dunn, W.A. Diery, C.A. Bates, Phys. Rev. B 73 (2006) 115435]. For each of the different symmetry types, projection operators are used to create symmetry-adapted states (SASs) that give a good account of the states of the system over a wide range of coupling strengths. These SASs are used, in turn, to derive energies for the vibronic states.

  16. Is talking to an automated teller machine natural and fun?

    PubMed

    Chan, F Y; Khalid, H M

    Usability and affective issues of using automatic speech recognition technology to interact with an automated teller machine (ATM) are investigated in two experiments. The first uncovered dialogue patterns of ATM users for the purpose of designing the user interface for a simulated speech ATM system. Applying the Wizard-of-Oz methodology, multiple mapping and word spotting techniques, the speech driven ATM accommodates bilingual users of Bahasa Melayu and English. The second experiment evaluates the usability of a hybrid speech ATM, comparing it with a simulated manual ATM. The aim is to investigate how natural and fun can talking to a speech ATM be for these first-time users. Subjects performed the withdrawal and balance enquiry tasks. The ANOVA was performed on the usability and affective data. The results showed significant differences between systems in the ability to complete the tasks as well as in transaction errors. Performance was measured on the time taken by subjects to complete the task and the number of speech recognition errors that occurred. On the basis of user emotions, it can be said that the hybrid speech system enabled pleasurable interaction. Despite the limitations of speech recognition technology, users are set to talk to the ATM when it becomes available for public use.

  17. Exospheric temperatures deduced from 7320- to 7330-A /O/+//2P/ - O/+//2D// twilight observations

    NASA Technical Reports Server (NTRS)

    Yee, J. H.; Abreu, V. J.

    1982-01-01

    A technique developed to deduce exospheric temperatures from the 7320- to 7330-A emission measured by the visible airglow experiment on board the AE-E satellite is considered. An excess emission in the measured 7320- to 7330-A brightness is noticed as a result of the interaction between the spacecraft and the atmosphere. The observed brightnesses are corrected for this effect. The galactic background emission is also carefully subtracted. The deduced temperatures exhibit a positive correlation with solar activity. It varies from approximately 700 K in late 1976 to approximately 1700 K at the peak of this solar cycle. The presence of a nonthermal oxygen corona is considered inconclusive.

  18. Plate coupling across the northern Manila subduction zone deduced from mantle lithosphere buoyancy

    NASA Astrophysics Data System (ADS)

    Lo, Chung-Liang; Doo, Wen-Bin; Kuo-Chen, Hao; Hsu, Shu-Kun

    2017-12-01

    The Manila subduction zone is located at the plate boundary where the Philippine Sea plate (PSP) moves northwestward toward the Eurasian plate (EU) with a high convergence rate. However, historically, no large earthquakes greater than Mw7 have been observed across the northern Manila subduction zone. The poorly understood plate interaction between these two plates in this region creates significant issues for evaluating the seismic hazard. Therefore, the variation of mantle lithospheric buoyancy is calculated to evaluate the plate coupling status across the northern Manila subduction zone, based on recently published forward gravity modeling constrained by the results of the P-wave seismic crustal structure of the TAIGER (Taiwan Integrated Geodynamic Research) project. The results indicate weak plate coupling between the PSP and EU, which could be related to the release of the overriding PSP from the descending EU's dragging force, which was deduced from the higher elevation of the Luzon arc and the fore-arc basin northward toward the Taiwan orogen. Moreover, serpentinized peridotite is present above the plate boundary and is distributed more widely and thickly closer to offshore southern Taiwan orogen. We suggest that low plate coupling may facilitate the uplifting of serpentinized mantle material up to the plate boundary.

  19. Limits on tensor coupling from neutron β decay

    NASA Astrophysics Data System (ADS)

    Pattie, R. W., Jr.; Hickerson, K. P.; Young, A. R.

    2013-10-01

    Limits on the tensor couplings generating a Fierz interference term b in mixed Gamow-Teller Fermi decays can be derived by combining data from measurements of angular correlation parameters in neutron decay, the neutron lifetime, and GV=GFVud as extracted from measurements of the Ft values from the 0+→0+ superallowed decay data set. These limits are derived by comparing the neutron β-decay rate as predicted in the standard model with the measured decay rate while allowing for the existence of beyond the standard model (BSM) couplings. We analyze limits derived from the electron-neutrino asymmetry a, or the beta asymmetry A, finding that the most stringent limits for CT/CA under the assumption of no right-handed neutrinos is -0.0026

  20. CONSISTENT USE OF THE KALMAN FILTER IN CHEMICAL TRANSPORT MODELS (CTMS) FOR DEDUCING EMISSIONS

    EPA Science Inventory

    Past research has shown that emissions can be deduced using observed concentrations of a chemical, a Chemical Transport Model (CTM), and the Kalman filter in an inverse modeling application. An expression was derived for the relationship between the "observable" (i.e., the con...

  1. Using Extended Huckel Theory as a Platform to Introduce Jahn-Teller Distortion: The Spontaneous Distortion of 1,3,5,7-Cyclooctatetraene from a Perfect Octagon

    ERIC Educational Resources Information Center

    Sohlberg, Karl; Liu, Xiang

    2013-01-01

    Herein, a slightly enhanced version of extended Huckel molecular orbital theory is applied to demonstrate the spontaneous distortion of 1,3,5,7-cyclooctatetraene from a perfect octagon, a consequence of the Jahn-Teller effect. The exercise is accessible to students who have been introduced to basic quantum mechanics and extended Huckel molecular…

  2. Wildland fire probabilities estimated from weather model-deduced monthly mean fire danger indices

    Treesearch

    Haiganoush K. Preisler; Shyh-Chin Chen; Francis Fujioka; John W. Benoit; Anthony L. Westerling

    2008-01-01

    The National Fire Danger Rating System indices deduced from a regional simulation weather model were used to estimate probabilities and numbers of large fire events on monthly and 1-degree grid scales. The weather model simulations and forecasts are ongoing experimental products from the Experimental Climate Prediction Center at the Scripps Institution of Oceanography...

  3. Dynamical Jahn Teller distortion in single crystals of Cu(II) doped magnesium potassium phosphate hexahydrate: a variable temperature EPR study

    NASA Astrophysics Data System (ADS)

    PrabhuKantan, A.; Velavan, K.; Venkatesan, R.; Sambasiva Rao, P.

    2003-05-01

    Single crystal electron paramagnetic resonance (EPR) studies on Cu(II)-doped magnesium potassium phosphate hexahydrate have been carried out at room temperature. The temperature dependence of g and A values has been obtained for the polycrystalline sample and the ground state is unambiguously identified. These results indicate the existence of a dynamic Jahn-Teller distortion for Cu(II) ion. The g and A tensor direction cosines are evaluated and compared with Mg-O directions, which confirms that Cu(II) enters substitutionally in the lattice.

  4. FP-LAPW calculations of equation of state and elastic properties of α and β phases of tungsten carbide at high pressure

    NASA Astrophysics Data System (ADS)

    Mishra, Vinayak; Chaturvedi, Shashank

    2013-03-01

    Tungsten carbide is used in high pressure devices therefore knowledge of its elastic properties and their pressure dependence is of utmost practical importance. In this paper we present first principles results of equation of state and elastic properties of α and β phases of tungsten carbide and compare our results with the available reported experimental results. These calculations have been performed using the FPLAPW method within the framework of density functional theory. Enthalpies of α and β phases of WC have been compared up to 350 GPa to investigate possibility of structural transformation. Density-dependent Grüneisen parameter has been deduced from P-V isotherm using the well-known Slater's formula. High pressure elastic constants of α and β phases of WC have been calculated by applying various distortions to the original crystal structure. The elastic properties such as bulk, shear and Young's moduli have been derived from the calculated elastic constants. Pressure-dependent longitudinal velocity, shear velocity, Debye temperature and melting temperature have been deduced from the elastic properties. These calculated properties are in good agreement with the available experimental results.

  5. New reaction rates for improved primordial D /H calculation and the cosmic evolution of deuterium

    NASA Astrophysics Data System (ADS)

    Coc, Alain; Petitjean, Patrick; Uzan, Jean-Philippe; Vangioni, Elisabeth; Descouvemont, Pierre; Iliadis, Christian; Longland, Richard

    2015-12-01

    Primordial or big bang nucleosynthesis (BBN) is one of the three historically strong evidences for the big bang model. Standard BBN is now a parameter-free theory, since the baryonic density of the Universe has been deduced with an unprecedented precision from observations of the anisotropies of the cosmic microwave background radiation. There is a good agreement between the primordial abundances of 4He, D, 3He, and 7Li deduced from observations and from primordial nucleosynthesis calculations. However, the 7Li calculated abundance is significantly higher than the one deduced from spectroscopic observations and remains an open problem. In addition, recent deuterium observations have drastically reduced the uncertainty on D /H , to reach a value of 1.6%. It needs to be matched by BBN predictions whose precision is now limited by thermonuclear reaction rate uncertainties. This is especially important as many attempts to reconcile Li observations with models lead to an increased D prediction. Here, we reevaluate the d (p ,γ )3He, d (d ,n ) 3H3, and d (d ,p ) 3H reaction rates that govern deuterium destruction, incorporating new experimental data and carefully accounting for systematic uncertainties. Contrary to previous evaluations, we use theoretical ab initio models for the energy dependence of the S factors. As a result, these rates increase at BBN temperatures, leading to a reduced value of D /H =(2.45 ±0.10 )×10-5 (2 σ ), in agreement with observations.

  6. Search for weak M 1 transitions in 48Ca with inelastic proton scattering

    NASA Astrophysics Data System (ADS)

    Mathy, M.; Birkhan, J.; Matsubara, H.; von Neumann-Cosel, P.; Pietralla, N.; Ponomarev, V. Yu.; Richter, A.; Tamii, A.

    2017-05-01

    Background: The quenching of spin-isospin modes in nuclei is an important field of research in nuclear structure. It has an impact on astrophysical reaction rates and on fundamental processes like neutrinoless double-β decay. Gamow-Teller (GT) and spin-flip M 1 strengths are quenched. Concerning the latter, the Jπ=1+ resonance in the doubly magic nucleus 48Ca, dominated by a single transition, serves as a reference case. Purpose: The aim of the present work is to search for weak M 1 transitions in 48Ca with a high-resolution (p ,p') experiment at 295 MeV and forward angles including 0∘ and a comparison with results from a similar study using backward-angle electron scattering at low momentum transfers in order to estimate their contribution to the total B (M 1 ) strength in 48Ca. Methods: The spin-M 1 cross sections of individual peaks in the spectra are deduced with a multipole decomposition analysis (MDA) and converted to reduced spin-M 1 transition strengths by using the unit cross-section method. For a comparison with electron-scattering results, corresponding reduced B (M 1 ) transition strengths are extracted following the approach outlined in Birkhan et al. [Phys. Rev. C 93, 041302(R) (2016), 10.1103/PhysRevC.93.041302]. Results: In total, 30 peaks containing a M 1 contribution are found in the excitation energy region 7-13 MeV. The resulting B (M 1 ) strength distribution compares well to the electron-scattering results considering different factors limiting the sensitivity in both experiments and the enhanced importance of mechanisms breaking the proportionality of nuclear cross sections and electromagnetic matrix elements for weak transitions as studied here. The total strength of 1.14(7) μN2 deduced assuming a nonquenched isoscalar part of the (p ,p') cross sections agrees with the (e ,e') result of 1.21(13) μN2. A bin-wise analysis above 10 MeV provides an upper limit of 1.51(17) μN2. Conclusions: The present results confirm the previous electron

  7. Importance of parametrizing constraints in quantum-mechanical variational calculations

    NASA Technical Reports Server (NTRS)

    Chung, Kwong T.; Bhatia, A. K.

    1992-01-01

    In variational calculations of quantum mechanics, constraints are sometimes imposed explicitly on the wave function. These constraints, which are deduced by physical arguments, are often not uniquely defined. In this work, the advantage of parametrizing constraints and letting the variational principle determine the best possible constraint for the problem is pointed out. Examples are carried out to show the surprising effectiveness of the variational method if constraints are parameterized. It is also shown that misleading results may be obtained if a constraint is not parameterized.

  8. Calculation of recoil implantation profiles using known range statistics

    NASA Technical Reports Server (NTRS)

    Fung, C. D.; Avila, R. E.

    1985-01-01

    A method has been developed to calculate the depth distribution of recoil atoms that result from ion implantation onto a substrate covered with a thin surface layer. The calculation includes first order recoils considering projected range straggles, and lateral straggles of recoils but neglecting lateral straggles of projectiles. Projectile range distributions at intermediate energies in the surface layer are deduced from look-up tables of known range statistics. A great saving of computing time and human effort is thus attained in comparison with existing procedures. The method is used to calculate recoil profiles of oxygen from implantation of arsenic through SiO2 and of nitrogen from implantation of phosphorus through Si3N4 films on silicon. The calculated recoil profiles are in good agreement with results obtained by other investigators using the Boltzmann transport equation and they also compare very well with available experimental results in the literature. The deviation between calculated and experimental results is discussed in relation to lateral straggles. From this discussion, a range of surface layer thickness for which the method applies is recommended.

  9. Pseudo Jahn-Teller effect in control and rationalization of chemical transformations in two-dimensional compounds

    NASA Astrophysics Data System (ADS)

    Gorinchoy, N. N.; Bersuker, I. B.

    2017-05-01

    We show that the pseudo Jahn-Teller effect (PJTE) is instrumental in predicting and rationalizing structural changes in chemical transformations of two-dimensional (2D) molecular systems by means of analyzing the symmetries and electron occupation of the ground and lowest excited electronic states and the energy gap between them, subject to their PJT coupling along the main distortion coordinates. Special attention is paid to rationalizing the PJTE origin of non-planarity of 2D compounds and to the restoration of their planar configurations. Examples of two series of 1,2- and 1,4-dithiin containing tricyclic compounds (carbon sulfide, thianthrene, and antracene and their derivatives) are used to demonstrate in detail the mechanism of (1) enhancement and suppression of the PJTE distortions (puckering) in redox processes, and (2) PJTE induced symmetry breaking and restoration of the planar configuration by chemical substitutions.

  10. The DEDUCE Guided Query Tool: Providing Simplified Access to Clinical Data for Research and Quality Improvement

    PubMed Central

    Horvath, Monica M.; Winfield, Stephanie; Evans, Steve; Slopek, Steve; Shang, Howard; Ferranti, Jeffrey

    2011-01-01

    In many healthcare organizations, comparative effectiveness research and quality improvement (QI) investigations are hampered by a lack of access to data created as a byproduct of patient care. Data collection often hinges upon either manual chart review or ad hoc requests to technical experts who support legacy clinical systems. In order to facilitate this needed capacity for data exploration at our institution (Duke University Health System), we have designed and deployed a robust Web application for cohort identification and data extraction—the Duke Enterprise Data Unified Content Explorer (DEDUCE). DEDUCE is envisioned as a simple, web-based environment that allows investigators access to administrative, financial, and clinical information generated during patient care. By using business intelligence tools to create a view into Duke Medicine's enterprise data warehouse, DEDUCE provides a guided query functionality using a wizard-like interface that lets users filter through millions of clinical records, explore aggregate reports, and, export extracts. Researchers and QI specialists can obtain detailed patient- and observation-level extracts without needing to understand structured query language or the underlying database model. Developers designing such tools must devote sufficient training and develop application safeguards to ensure that patient-centered clinical researchers understand when observation-level extracts should be used. This may mitigate the risk of data being misunderstood and consequently used in an improper fashion. PMID:21130181

  11. The DEDUCE Guided Query tool: providing simplified access to clinical data for research and quality improvement.

    PubMed

    Horvath, Monica M; Winfield, Stephanie; Evans, Steve; Slopek, Steve; Shang, Howard; Ferranti, Jeffrey

    2011-04-01

    In many healthcare organizations, comparative effectiveness research and quality improvement (QI) investigations are hampered by a lack of access to data created as a byproduct of patient care. Data collection often hinges upon either manual chart review or ad hoc requests to technical experts who support legacy clinical systems. In order to facilitate this needed capacity for data exploration at our institution (Duke University Health System), we have designed and deployed a robust Web application for cohort identification and data extraction--the Duke Enterprise Data Unified Content Explorer (DEDUCE). DEDUCE is envisioned as a simple, web-based environment that allows investigators access to administrative, financial, and clinical information generated during patient care. By using business intelligence tools to create a view into Duke Medicine's enterprise data warehouse, DEDUCE provides a Guided Query functionality using a wizard-like interface that lets users filter through millions of clinical records, explore aggregate reports, and, export extracts. Researchers and QI specialists can obtain detailed patient- and observation-level extracts without needing to understand structured query language or the underlying database model. Developers designing such tools must devote sufficient training and develop application safeguards to ensure that patient-centered clinical researchers understand when observation-level extracts should be used. This may mitigate the risk of data being misunderstood and consequently used in an improper fashion. Copyright © 2010 Elsevier Inc. All rights reserved.

  12. Photodissociation dynamics in the first absorption band of pyrrole. I. Molecular Hamiltonian and the Herzberg-Teller absorption spectrum for the A12(π σ* ) ←X˜ 1 A1(π π ) transition

    NASA Astrophysics Data System (ADS)

    Picconi, David; Grebenshchikov, Sergy Yu.

    2018-03-01

    This paper opens a series in which the photochemistry of the two lowest πσ* states of pyrrole and their interaction with each other and with the ground electronic state X ˜ are studied using ab initio quantum mechanics. New 24-dimensional potential energy surfaces for the photodissociation of the N-H bond and the formation of the pyrrolyl radical are calculated using the multiconfigurational perturbation theory (CASPT2) for the electronic states X ˜ (π π ) , 11A2(πσ*), and 11B1(πσ*) and locally diabatized. In this paper, the ab initio calculations are described and the photodissociation in the state 11A2(πσ*) is analyzed. The excitation 11 A2←X ˜ is mediated by the coordinate dependent transition dipole moment functions constructed using the Herzberg-Teller expansion. Nuclear dynamics, including 6, 11, and 15 active degrees of freedom, are studied using the multi-configurational time-dependent Hartree method. The focus is on the frequency resolved absorption spectrum as well as on the dissociation time scales and the resonance lifetimes. Calculations are compared with available experimental data. An approximate convolution method is developed and validated, with which absorption spectra can be calculated and assigned in terms of vibrational quantum numbers. The method represents the total absorption spectrum as a convolution of the diffuse spectrum of the detaching H-atom and the Franck-Condon spectrum of the heteroaromatic ring. Convolution calculation requires a minimal quantum chemical input and is a promising tool for studying the πσ* photodissociation in model biochromophores.

  13. Near-Surface Flow Fields Deduced Using Correlation Tracking and Time-Distance Analysis

    NASA Technical Reports Server (NTRS)

    DeRosa, Marc; Duvall, T. L., Jr.; Toomre, Juri

    1999-01-01

    Near-photospheric flow fields on the Sun are deduced using two independent methods applied to the same time series of velocity images observed by SOI-MDI on SOHO. Differences in travel times between f modes entering and leaving each pixel measured using time-distance helioseismology are used to determine sites of supergranular outflows. Alternatively, correlation tracking analysis of mesogranular scales of motion applied to the same time series is used to deduce the near-surface flow field. These two approaches provide the means to assess the patterns and evolution of horizontal flows on supergranular scales even near disk center, which is not feasible with direct line-of-sight Doppler measurements. We find that the locations of the supergranular outflows seen in flow fields generated from correlation tracking coincide well with the locations of the outflows determined from the time-distance analysis, with a mean correlation coefficient after smoothing of bar-r(sub s) = 0.840. Near-surface velocity field measurements can used to study the evolution of the supergranular network, as merging and splitting events are observed to occur in these images. The data consist of one 2048-minute time series of high-resolution (0.6" pixels) line-of-sight velocity images taken by MDI on 1997 January 16-18 at a cadence of one minute.

  14. Study on Calculation Model of Culvert Soil Pressure

    NASA Astrophysics Data System (ADS)

    Liu, Jing; Tian, Xiao-yan; Gao, Xiao-mei

    2017-09-01

    Culvert diseases are prevalent in highway engineering. There are many factors involved in the occurrence of the disease, and the problem is complex. However, the design cannot accurately determine the role of the soil pressure on the culvert is the main reason to the disease. Based on the theoretical analysis and field test, this paper studies the characteristics of the stress and deformation of the culvert-soil structure. According to the theory of soil mechanics, the calculation model of vertical soil pressure at the top of culvert is determined, and the formula of vertical soil pressure at the top of culvert is deduced. Through the field test of the vertical soil pressure at the top of culvert of several engineering examples, the calculation formula of this paper is verified, which can provide reference for future practical engineering.

  15. RESULTS OF OBSERVATIONS ON ATMOSPHERIC OZONE BY THE INFRARED METHOD, DEDUCED FROM DATA OBTAINED IN AROSA (SWITZERLAND),

    DTIC Science & Technology

    Vertical distributions of the atmospheric ozone have been deduced from the infrared observations made in Arosa from Janaury 1957 to November 1958. The results are used to find certain correlations. (Author)

  16. Statistical γ -decay properties of 64Ni and deduced (n ,γ ) cross section of the s -process branch-point nucleus 63Ni

    NASA Astrophysics Data System (ADS)

    Crespo Campo, L.; Bello Garrote, F. L.; Eriksen, T. K.; Görgen, A.; Guttormsen, M.; Hadynska-Klek, K.; Klintefjord, M.; Larsen, A. C.; Renstrøm, T.; Sahin, E.; Siem, S.; Springer, A.; Tornyi, T. G.; Tveten, G. M.

    2016-10-01

    Particle-γ coincidence data have been analyzed to obtain the nuclear level density and the γ -strength function of 64Ni by means of the Oslo method. The level density found in this work is in very good agreement with known energy levels at low excitation energies as well as with data deduced from particle-evaporation measurements at excitation energies above Ex≈5.5 MeV. The experimental γ -strength function presents an enhancement at γ energies below Eγ≈3 MeV and possibly a resonancelike structure centered at Eγ≈9.2 MeV. The obtained nuclear level density and γ -strength function have been used to estimate the (n ,γ ) cross section for the s -process branch-point nucleus 63Ni, of particular interest for astrophysical calculations of elemental abundances.

  17. Validation of the Contrast Attenuation Technique (CAT) for Deducing Dust Densities from Photographic Records Taken during the MILL RACE High Explosive Test.

    DTIC Science & Technology

    1982-02-28

    BRE O STNDADS 193- rC low& L --. -: !’- • ,- r;4; [.9 ’- DNA-TR-81-81 VALIDATION OF THE CONTRAST ATTENUATION TECHNIQUE ( CAT ) FOR DEDUCING DUST...TITLE (and Sublitle) S. TYPE OF REPORT & PERIOD COVERED VALIDATION OF THE CONTRAST ATTENUATION TECHNIQUE Technical Report ( CAT ) FOR DEDUCING DUST...SCATTERING AND EXTINCTION CONSIDERATIONS- -------- 77 C DATA ON FILMS*USED FOR THE MILL RACE CAT TEST -- ------- 85 2

  18. Synthetic oligonucleotide probes deduced from amino acid sequence data. Theoretical and practical considerations.

    PubMed

    Lathe, R

    1985-05-05

    Synthetic probes deduced from amino acid sequence data are widely used to detect cognate coding sequences in libraries of cloned DNA segments. The redundancy of the genetic code dictates that a choice must be made between (1) a mixture of probes reflecting all codon combinations, and (2) a single longer "optimal" probe. The second strategy is examined in detail. The frequency of sequences matching a given probe by chance alone can be determined and also the frequency of sequences closely resembling the probe and contributing to the hybridization background. Gene banks cannot be treated as random associations of the four nucleotides, and probe sequences deduced from amino acid sequence data occur more often than predicted by chance alone. Probe lengths must be increased to confer the necessary specificity. Examination of hybrids formed between unique homologous probes and their cognate targets reveals that short stretches of perfect homology occurring by chance make a significant contribution to the hybridization background. Statistical methods for improving homology are examined, taking human coding sequences as an example, and considerations of codon utilization and dinucleotide frequencies yield an overall homology of greater than 82%. Recommendations for probe design and hybridization are presented, and the choice between using multiple probes reflecting all codon possibilities and a unique optimal probe is discussed.

  19. Hour-Glass Neural Network Based Daily Money Flow Estimation for Automatic Teller Machines

    NASA Astrophysics Data System (ADS)

    Karungaru, Stephen; Akashi, Takuya; Nakano, Miyoko; Fukumi, Minoru

    Monetary transactions using Automated Teller Machines (ATMs) have become a normal part of our daily lives. At ATMs, one can withdraw, send or debit money and even update passbooks among many other possible functions. ATMs are turning the banking sector into a ubiquitous service. However, while the advantages for the ATM users (financial institution customers) are many, the financial institution side faces an uphill task in management and maintaining the cash flow in the ATMs. On one hand, too much money in a rarely used ATM is wasteful, while on the other, insufficient amounts would adversely affect the customers and may result in a lost business opportunity for the financial institution. Therefore, in this paper, we propose a daily cash flow estimation system using neural networks that enables better daily forecasting of the money required at the ATMs. The neural network used in this work is a five layered hour glass shaped structure that achieves fast learning, even for the time series data for which seasonality and trend feature extraction is difficult. Feature extraction is carried out using the Akamatsu Integral and Differential transforms. This work achieves an average estimation accuracy of 92.6%.

  20. Nonequilibrium critical dynamics of the two-dimensional Ashkin-Teller model at the Baxter line

    NASA Astrophysics Data System (ADS)

    Fernandes, H. A.; da Silva, R.; Caparica, A. A.; de Felício, J. R. Drugowich

    2017-04-01

    We investigate the short-time universal behavior of the two-dimensional Ashkin-Teller model at the Baxter line by performing time-dependent Monte Carlo simulations. First, as preparatory results, we obtain the critical parameters by searching the optimal power-law decay of the magnetization. Thus, the dynamic critical exponents θm and θp, related to the magnetic and electric order parameters, as well as the persistence exponent θg, are estimated using heat-bath Monte Carlo simulations. In addition, we estimate the dynamic exponent z and the static critical exponents β and ν for both order parameters. We propose a refined method to estimate the static exponents that considers two different averages: one that combines an internal average using several seeds with another, which is taken over temporal variations in the power laws. Moreover, we also performed the bootstrapping method for a complementary analysis. Our results show that the ratio β /ν exhibits universal behavior along the critical line corroborating the conjecture for both magnetization and polarization.

  1. Cyclopropenyl Anions: Carbon Tunneling or Diradical Formation? A Contest between Jahn-Teller and Hund.

    PubMed

    Kozuch, Sebastian

    2015-07-14

    The π bond shifting (automerization) by carbon tunneling of cyclopropenyl anions was computationally analyzed by the small curvature tunneling methodology. Similar to other antiaromatic cases, the process is hindered by substituents departing from planarity, since these groups must be realigned along with the π bond shifting. With hydrogens as substituents the tunneling is extremely fast, in a case of both heavy and light atom tunneling. But, with more massive substituents (such as Me and F), and especially with longer groups (such as CN), the tunneling probability is reduced or even virtually canceled. The automerization of triphenylcyclopropyl anion by tunneling was supposed to be impossible due to the high mass of the phenyl groups. However, it was found that the ground state of this species is actually a D3h aromatic triplet, a single-well system that cannot undergo automerization. For this and other systems with π acceptor groups, the superposition of states that generates the second-order Jahn-Teller distortion is diminished, and by Hund's rule, the triplet results in the ground state.

  2. Electron–vibration coupling induced renormalization in the photoemission spectrum of diamondoids

    DOE PAGES

    Gali, Adam; Demján, Tamás; Vörös, Márton; ...

    2016-04-22

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential tomore » properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Furthermore, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect.« less

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

    Gali, Adam; Demján, Tamás; Vörös, Márton

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential tomore » properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Furthermore, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect.« less

  4. Electron–vibration coupling induced renormalization in the photoemission spectrum of diamondoids

    PubMed Central

    Gali, Adam; Demján, Tamás; Vörös, Márton; Thiering, Gergő; Cannuccia, Elena; Marini, Andrea

    2016-01-01

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Moreover, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect. PMID:27103340

  5. New constraints on the rupture process of the 1999 August 17 Izmit earthquake deduced from estimates of stress glut rate moments

    NASA Astrophysics Data System (ADS)

    Clévédé, E.; Bouin, M.-P.; Bukchin, B.; Mostinskiy, A.; Patau, G.

    2004-12-01

    This paper illustrates the use of integral estimates given by the stress glut rate moments of total degree 2 for constraining the rupture scenario of a large earthquake in the particular case of the 1999 Izmit mainshock. We determine the integral estimates of the geometry, source duration and rupture propagation given by the stress glut rate moments of total degree 2 by inverting long-period surface wave (LPSW) amplitude spectra. Kinematic and static models of the Izmit earthquake published in the literature are quite different from one another. In order to extract the characteristic features of this event, we calculate the same integral estimates directly from those models and compare them with those deduced from our inversion. While the equivalent rupture zone and the eastward directivity are consistent among all models, the LPSW solution displays a strong unilateral character of the rupture associated with a short rupture duration that is not compatible with the solutions deduced from the published models. With the aim of understand this discrepancy, we use simple equivalent kinematic models to reproduce the integral estimates of the considered rupture processes (including ours) by adjusting a few free parameters controlling the western and eastern parts of the rupture. We show that the joint analysis of the LPSW solution and source tomographies allows us to elucidate the scattering of source processes published for this earthquake and to discriminate between the models. Our results strongly suggest that (1) there was significant moment released on the eastern segment of the activated fault system during the Izmit earthquake; (2) the apparent rupture velocity decreases on this segment.

  6. Acoustic Properties of Crystals with Jahn-Teller Impurities: Elastic Moduli and Relaxation Time. Application to SrF2:Cr2+

    NASA Astrophysics Data System (ADS)

    Averkiev, Nikita S.; Bersuker, Isaac B.; Gudkov, Vladimir V.; Zhevstovskikh, Irina V.; Sarychev, Maksim N.; Zherlitsyn, Sergei; Yasin, Shadi; Shakurov, Gilman S.; Ulanov, Vladimir A.; Surikov, Vladimir T.

    2017-11-01

    A new approach to evaluate the relaxation contribution to the total elastic moduli for crystals with Jahn-Teller (JT) impurities is worked out and applied to the analysis of the experimentally measured ultrasound velocity and attenuation in SrF2:Cr2+. Distinguished from previous work, the background adiabatic contribution to the moduli, important for revealing the impurity relaxation contribution, is taken into account. The temperature dependence of the relaxation time for transitions between the equivalent configurations of the JT centers has been obtained, and the activation energy for the latter in SrF2:Cr2+, as well as the linear vibronic coupling constant have been evaluated.

  7. Neutrino-nucleus reactions based on recent structure studies

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

    Suzuki, Toshio; National Astronomical Observatory of Japan, Mitaka, Tokyo 181-8588

    2015-05-15

    Neutrino-nucleus reactions are studied with the use of new shell model Hamiltonians, which have proper tensor components in the interactions and prove to be successful in the description of Gamow-Teller (GT) strengths in nuclei. The new Hamiltonians are applied to obtain new neutrino-nucleus reaction cross sections in {sup 12}C, {sup 13}C, {sup 56}Fe and {sup 56}Ni induced by solar and supernova neutrinos. The element synthesis by neutrino processes in supernova explosions is discussed with the new cross sections. The enhancement of the production yields of {sup 7}Li, {sup 11}B and {sup 55}Mn is obtained while fragmented GT strength in {supmore » 56}Ni with two-peak structure is found to result in smaller e-capture rates at stellar environments. The monopole-based universal interaction with tensor force of π+ρ meson exchanges is used to evaluate GT strength in {sup 40}Ar and ν-induced reactions on {sup 40}Ar. It is found to reproduce well the experimental GT strength in {sup 40}Ar.« less

  8. Weak-interaction rates in stellar conditions

    NASA Astrophysics Data System (ADS)

    Sarriguren, Pedro

    2018-05-01

    Weak-interaction rates, including β-decay and electron captures, are studied in several mass regions at various densities and temperatures of astrophysical interest. In particular, we study odd-A nuclei in the pf-shell region, which are involved in presupernova formations. Weak rates are relevant to understand the late stages of the stellar evolution, as well as the nucleosynthesis of heavy nuclei. The nuclear structure involved in the weak processes is studied within a quasiparticle proton-neutron random-phase approximation with residual interactions in both particle-hole and particle-particle channels on top of a deformed Skyrme Hartree-Fock mean field with pairing correlations. First, the energy distributions of the Gamow-Teller strength are discussed and compared with the available experimental information, measured under terrestrial conditions from charge-exchange reactions. Then, the sensitivity of the weak-interaction rates to both astrophysical densities and temperatures is studied. Special attention is paid to the relative contribution to these rates of thermally populated excited states in the decaying nucleus and to the electron captures from the degenerate electron plasma.

  9. Microbial Community Patterns Associated with Automated Teller Machine Keypads in New York City.

    PubMed

    Bik, Holly M; Maritz, Julia M; Luong, Albert; Shin, Hakdong; Dominguez-Bello, Maria Gloria; Carlton, Jane M

    2016-01-01

    In densely populated urban environments, the distribution of microbes and the drivers of microbial community assemblages are not well understood. In sprawling metropolitan habitats, the "urban microbiome" may represent a mix of human-associated and environmental taxa. Here we carried out a baseline study of automated teller machine (ATM) keypads in New York City (NYC). Our goal was to describe the biodiversity and biogeography of both prokaryotic and eukaryotic microbes in an urban setting while assessing the potential source of microbial assemblages on ATM keypads. Microbial swab samples were collected from three boroughs (Manhattan, Queens, and Brooklyn) during June and July 2014, followed by generation of Illumina MiSeq datasets for bacterial (16S rRNA) and eukaryotic (18S rRNA) marker genes. Downstream analysis was carried out in the QIIME pipeline, in conjunction with neighborhood metadata (ethnicity, population, age groups) from the NYC Open Data portal. Neither the 16S nor 18S rRNA datasets showed any clustering patterns related to geography or neighborhood demographics. Bacterial assemblages on ATM keypads were dominated by taxonomic groups known to be associated with human skin communities ( Actinobacteria , Bacteroides , Firmicutes , and Proteobacteria ), although SourceTracker analysis was unable to identify the source habitat for the majority of taxa. Eukaryotic assemblages were dominated by fungal taxa as well as by a low-diversity protist community containing both free-living and potentially pathogenic taxa ( Toxoplasma , Trichomonas ). Our results suggest that ATM keypads amalgamate microbial assemblages from different sources, including the human microbiome, eukaryotic food species, and potentially novel extremophilic taxa adapted to air or surfaces in the built environment. DNA obtained from ATM keypads may thus provide a record of both human behavior and environmental sources of microbes. IMPORTANCE Automated teller machine (ATM) keypads represent

  10. Microbial Community Patterns Associated with Automated Teller Machine Keypads in New York City

    PubMed Central

    Maritz, Julia M.; Luong, Albert

    2016-01-01

    ABSTRACT In densely populated urban environments, the distribution of microbes and the drivers of microbial community assemblages are not well understood. In sprawling metropolitan habitats, the “urban microbiome” may represent a mix of human-associated and environmental taxa. Here we carried out a baseline study of automated teller machine (ATM) keypads in New York City (NYC). Our goal was to describe the biodiversity and biogeography of both prokaryotic and eukaryotic microbes in an urban setting while assessing the potential source of microbial assemblages on ATM keypads. Microbial swab samples were collected from three boroughs (Manhattan, Queens, and Brooklyn) during June and July 2014, followed by generation of Illumina MiSeq datasets for bacterial (16S rRNA) and eukaryotic (18S rRNA) marker genes. Downstream analysis was carried out in the QIIME pipeline, in conjunction with neighborhood metadata (ethnicity, population, age groups) from the NYC Open Data portal. Neither the 16S nor 18S rRNA datasets showed any clustering patterns related to geography or neighborhood demographics. Bacterial assemblages on ATM keypads were dominated by taxonomic groups known to be associated with human skin communities (Actinobacteria, Bacteroides, Firmicutes, and Proteobacteria), although SourceTracker analysis was unable to identify the source habitat for the majority of taxa. Eukaryotic assemblages were dominated by fungal taxa as well as by a low-diversity protist community containing both free-living and potentially pathogenic taxa (Toxoplasma, Trichomonas). Our results suggest that ATM keypads amalgamate microbial assemblages from different sources, including the human microbiome, eukaryotic food species, and potentially novel extremophilic taxa adapted to air or surfaces in the built environment. DNA obtained from ATM keypads may thus provide a record of both human behavior and environmental sources of microbes. IMPORTANCE Automated teller machine (ATM) keypads

  11. Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3

    NASA Astrophysics Data System (ADS)

    Mondal, Padmabati; Opalka, Daniel; Poluyanov, Leonid V.; Domcke, Wolfgang

    2012-02-01

    Multiconfiguration ab initio methods have been employed to study the effects of Jahn-Teller (JT) and spin-orbit (SO) coupling in the transition-metal trifluorides TiF3, CrF3, and NiF3, which possess spatially doubly degenerate excited states (ME) of even spin multiplicities (M = 2 or 4). The ground states of TiF3, CrF3, and NiF3 are nondegenerate and exhibit minima of D3h symmetry. Potential-energy surfaces of spatially degenerate excited states have been calculated using the state-averaged complete-active-space self-consistent-field method. SO coupling is described by the matrix elements of the Breit-Pauli operator. Linear and higher order JT coupling constants for the JT-active bending and stretching modes as well as SO-coupling constants have been determined. Vibronic spectra of JT-active excited electronic states have been calculated, using JT Hamiltonians for trigonal systems with inclusion of SO coupling. The effect of higher order (up to sixth order) JT couplings on the vibronic spectra has been investigated for selected electronic states and vibrational modes with particularly strong JT couplings. While the weak SO couplings in TiF3 and CrF3 are almost completely quenched by the strong JT couplings, the stronger SO coupling in NiF3 is only partially quenched by JT coupling.

  12. Divergence thrust loss calculations for convergent-divergent nozzles: Extensions to the classical case

    NASA Technical Reports Server (NTRS)

    Berton, Jeffrey J.

    1991-01-01

    The analytical derivations of the non-axial thrust divergence losses for convergent-divergent nozzles are described as well as how these calculations are embodied in the Navy/NASA engine computer program. The convergent-divergent geometries considered are simple classic axisymmetric nozzles, two dimensional rectangular nozzles, and axisymmetric and two dimensional plug nozzles. A simple, traditional, inviscid mathematical approach is used to deduce the influence of the ineffectual non-axial thrust as a function of the nozzle exit divergence angle.

  13. Advisor-Teller Money Manager (ATM) Therapy for Substance Use Disorders

    PubMed Central

    Rosen, Marc I.; Rounsaville, Bruce J.; Ablondi, Karen; Black, Anne C.; Rosenheck, Robert A.

    2011-01-01

    Objective Patients with concomitant psychiatric and substance use disorders are commonly assigned representative payees or case managers to help manage their funds, but money management has not been conceptualized as a theory-based treatment. This randomized clinical trial was conducted to determine the effect of a money management–based therapy, advisor-teller money manager (ATM), on substance abuse or dependence. Methods Ninety patients at a community mental health center who had a history of cocaine or alcohol abuse or dependence were assessed after random assignment to 36 weeks of ATM (N=47) or a control condition in which use of a financial workbook was reviewed (N=43). Patients assigned to ATM were encouraged to deposit their funds into a third-party account, plan weekly expenditures, and negotiate monthly budgets. Substance use calendars and urine toxicology tests were collected every other week for 36 weeks and again 52 weeks after randomization. Results Patients assigned to ATM had significantly more negative toxicologies for cocaine metabolite over time than patients in the control group, and treating clinicians rated ATM patients as significantly more likely to be abstinent from illicit drugs. Self-reported abstinence from alcohol did not significantly differ between groups. Unexpectedly, patients assigned to ATM were more likely to be assigned a representative payee or a conservator than control participants during the follow-up period (ten of 47 versus two of 43). One patient in ATM assaulted the therapist when his check had not arrived. Conclusions ATM is an efficacious therapy for the treatment of cocaine abuse or dependence among people with concomitant psychiatric illness but requires protection of patient autonomy and staff safety. PMID:20592006

  14. Advisor-Teller Money Manager (ATM) therapy for substance use disorders.

    PubMed

    Rosen, Marc I; Rounsaville, Bruce J; Ablondi, Karen; Black, Anne C; Rosenheck, Robert A

    2010-07-01

    Patients with concomitant psychiatric and substance use disorders are commonly assigned representative payees or case managers to help manage their funds, but money management has not been conceptualized as a theory-based treatment. This randomized clinical trial was conducted to determine the effect of a money management-based therapy, advisor-teller money manager (ATM), on substance abuse or dependence. Ninety patients at a community mental health center who had a history of cocaine or alcohol abuse or dependence were assessed after random assignment to 36 weeks of ATM (N=47) or a control condition in which use of a financial workbook was reviewed (N=43). Patients assigned to ATM were encouraged to deposit their funds into a third-party account, plan weekly expenditures, and negotiate monthly budgets. Substance use calendars and urine toxicology tests were collected every other week for 36 weeks and again 52 weeks after randomization. Patients assigned to ATM had significantly more negative toxicologies for cocaine metabolite over time than patients in the control group, and treating clinicians rated ATM patients as significantly more likely to be abstinent from illicit drugs. Self-reported abstinence from alcohol did not significantly differ between groups. Unexpectedly, patients assigned to ATM were more likely to be assigned a representative payee or a conservator than control participants during the follow-up period (ten of 47 versus two of 43). One patient in ATM assaulted the therapist when his check had not arrived. ATM is an efficacious therapy for the treatment of cocaine abuse or dependence among people with concomitant psychiatric illness but requires protection of patient autonomy and staff safety.

  15. Dynamic Jahn-Teller effect: Calculation of fine structure spectrum, isotope shift and Zeeman behavior at deep center Ni2+ in CdS

    NASA Astrophysics Data System (ADS)

    Schoepp, Juergen

    The internal transition of the deep center Ni2+ in II to IV semiconductor cadmium sulfide is examined with reference to crystal field theory. An algorithm was developed for calculation, in a basis fitted to trigonal symmetry, of fine structure operator matrix which is made of the sum of operators from spin trajectory coupling, trigonal field and electron phonon coupling. The dependence of energy level on the mass was calculated in order to examine the isotropy effect at Ni2+ transition. The mass dependence of phonon energy was estimated in an atomic cluster by using a valence force model from Keating for elastic energy. The Zeeman behavior of Ni2+ transition was examined for magnetic fields; the Zeeman operator was added to the fine structure operator and the resulting matrix was diagonalized. It is noticed that calculations are quantitatively and qualitatively in agreement with experiments.

  16. Deducing the Kinetics of Protein Synthesis In Vivo from the Transition Rates Measured In Vitro

    PubMed Central

    Rudorf, Sophia; Thommen, Michael; Rodnina, Marina V.; Lipowsky, Reinhard

    2014-01-01

    The molecular machinery of life relies on complex multistep processes that involve numerous individual transitions, such as molecular association and dissociation steps, chemical reactions, and mechanical movements. The corresponding transition rates can be typically measured in vitro but not in vivo. Here, we develop a general method to deduce the in-vivo rates from their in-vitro values. The method has two basic components. First, we introduce the kinetic distance, a new concept by which we can quantitatively compare the kinetics of a multistep process in different environments. The kinetic distance depends logarithmically on the transition rates and can be interpreted in terms of the underlying free energy barriers. Second, we minimize the kinetic distance between the in-vitro and the in-vivo process, imposing the constraint that the deduced rates reproduce a known global property such as the overall in-vivo speed. In order to demonstrate the predictive power of our method, we apply it to protein synthesis by ribosomes, a key process of gene expression. We describe the latter process by a codon-specific Markov model with three reaction pathways, corresponding to the initial binding of cognate, near-cognate, and non-cognate tRNA, for which we determine all individual transition rates in vitro. We then predict the in-vivo rates by the constrained minimization procedure and validate these rates by three independent sets of in-vivo data, obtained for codon-dependent translation speeds, codon-specific translation dynamics, and missense error frequencies. In all cases, we find good agreement between theory and experiment without adjusting any fit parameter. The deduced in-vivo rates lead to smaller error frequencies than the known in-vitro rates, primarily by an improved initial selection of tRNA. The method introduced here is relatively simple from a computational point of view and can be applied to any biomolecular process, for which we have detailed information

  17. Theoretical investigation of two-particle two-hole effects on spin-isospin excitations through charge-exchange reactions

    NASA Astrophysics Data System (ADS)

    Fukui, Tokuro; Minato, Futoshi

    2017-11-01

    Background: Coherent one-particle one-hole (1p1h) excitations have given us effective insights into general nuclear excitations. However, the two-particle two-hole (2p2h) excitation beyond 1p1h is now recognized as critical for the proper description of experimental data of various nuclear responses. Purpose: The spin-flip charge-exchange reactions 48Ca(p ,n )48Sc are investigated to clarify the role of the 2p2h effect on their cross sections. The Fermi transition of 48Ca via the (p ,n ) reaction is also investigated in order to demonstrate our framework. Methods: The transition density is calculated microscopically with the second Tamm-Dancoff approximation, and the distorted-wave Born approximation is employed to describe the reaction process. A phenomenological one-range Gaussian interaction is used to prepare the form factor. Results: For the Fermi transition, our approach describes the experimental behavior of the cross section better than the Lane model, which is the conventional method. For spin-flip excitations including the GT transition, the 2p2h effect decreases the magnitude of the cross section and does not change the shape of the angular distribution. The Δ l =2 transition of the present reaction is found to play a negligible role. Conclusions: The 2p2h effect will not change the angular-distributed cross section of spin-flip responses. This is because the transition density of the Gamow-Teller response, the leading contribution to the cross section, is not significantly varied by the 2p2h effect.

  18. Toward New Horizons. Volume 10. Explosives and Terminal Ballistics

    DTIC Science & Technology

    1946-05-01

    DuBridge Dr. W. J. Sweeney Dr. Pol Duwez Dr. H. S. Tsien Dr. G. Gamow Dr. G. E. Valley Dr. I. A. Getting Dr. F. L. Wattendorf Dr. L. P. Hammett Dr. F...can be calculated, if the heat quantities for the explosive are known, and some assumptions are made concerning the equation of the state of the

  19. Nucleotide sequence of the phosphoglycerate kinase gene from the extreme thermophile Thermus thermophilus. Comparison of the deduced amino acid sequence with that of the mesophilic yeast phosphoglycerate kinase.

    PubMed Central

    Bowen, D; Littlechild, J A; Fothergill, J E; Watson, H C; Hall, L

    1988-01-01

    Using oligonucleotide probes derived from amino acid sequencing information, the structural gene for phosphoglycerate kinase from the extreme thermophile, Thermus thermophilus, was cloned in Escherichia coli and its complete nucleotide sequence determined. The gene consists of an open reading frame corresponding to a protein of 390 amino acid residues (calculated Mr 41,791) with an extreme bias for G or C (93.1%) in the codon third base position. Comparison of the deduced amino acid sequence with that of the corresponding mesophilic yeast enzyme indicated a number of significant differences. These are discussed in terms of the unusual codon bias and their possible role in enhanced protein thermal stability. Images Fig. 1. PMID:3052437

  20. Calculation of surface enthalpy of solids from an ab initio electronegativity based model: case of ice.

    PubMed

    Douillard, J M; Henry, M

    2003-07-15

    A very simple route to calculation of the surface energy of solids is proposed because this value is very difficult to determine experimentally. The first step is the calculation of the attractive part of the electrostatic energy of crystals. The partial charges used in this calculation are obtained by using electronegativity equalization and scales of electronegativity and hardness deduced from physical characteristics of the atom. The lattice energies of the infinite crystal and of semi-infinite layers are then compared. The difference is related to the energy of cohesion and then to the surface energy. Very good results are obtained with ice, if one compares with the surface energy of liquid water, which is generally considered a good approximation of the surface energy of ice.

  1. Photodissociation of water. II. Wave packet calculations for the photofragmentation of H2O and D2O in the B˜ band

    NASA Astrophysics Data System (ADS)

    van Harrevelt, Rob; van Hemert, Marc C.

    2000-04-01

    A complete three-dimensional quantum mechanical description of the photodissociation of water in the B˜ band, starting from its rotational ground state, is presented. In order to include B˜-X˜ vibronic coupling and the B˜-Ã Renner-Teller coupling, diabatic electronic states have been constructed from adiabatic electronic states and matrix elements of the electronic angular momentum operators, following the procedure developed by A. J. Dobbyn and P. J. Knowles [Mol. Phys. 91, 1107 (1997)], using the ab initio results discussed in the preceding paper. The dynamics is studied using wave packet methods, and the evolution of the time-dependent wave function is discussed in detail. Results for the H2O and D2O absorption spectra, OH(A)/OH(X) and OD(A)/OD(X) branching ratios, and rovibrational distributions of the OH and OD fragments are presented and compared with available experimental data. The present theoretical results agree at least qualitatively with the experiments. The calculations show that the absorption spectrum and the product state distributions are strongly influenced by long-lived resonances on the adiabatic B˜ state. It is also shown that molecular rotation plays an important role in the photofragmentation process, due to both the Renner-Teller B˜-X˜ mixing, and the strong effect of out-of-plane molecular rotations (K>0) on the dynamics at near linear HOH and HHO geometries.

  2. On the Mechanism of D-Wave High TC Superconductivity by the Interplay of Jahn-Teller Physics and Mott Physics

    NASA Astrophysics Data System (ADS)

    Ushio, H.; Matsuno, S.; Kamimura, H.

    2011-01-01

    In the present paper we will discuss two important roles of the interplay of Jahn-Teller physics and Mott physics. One is the small Fermi surface. The "Fermi arcs" observed in ARPES should be one of the edges of small Fermi pockets, based on the Kamimura-Suwa model (K-S model). This prediction is consistent with ARPES results by Tanaka et al. Another is the mechanism of superconductivity in cuprates. This can be explained by the interplay of strong electron-phonon interactions and local AF order. It is shown that the characteristic phase difference of wave functions between up- and down-spin carriers in the presence of the local AF order leads to the superconducting gap of dx2-y2 symmetry even in the phonon-involved mechanism.

  3. Persistent Axial Dipole Decay for Past 400 Years Deduced from Lava Flows in Japan

    NASA Astrophysics Data System (ADS)

    Fukuma, K.

    2017-12-01

    Temporal variation of the axial dipole moment g10 was deduced from paleointensity data that were obtained from volcanic islands Izu-Oshima and Miyakejima in Japan for the last 400 years, combined with historical field model gufm1. The basaltic lava flows are precisely dated based on ancient documents on the eruptions. Essentially no age error is necessary to be counted. Thellier paleointensity measurements were performed using a fully automated magnetometer-furnace system "tspin" using about 450 specimens, which were mainly collected from clinkers and scorias. Appropriate Thellier temperature steps for each specimen were chosen, based on the thermomagnetic curve that was quite variable depending on the vertical position within a lava flow. The newly obtained paleointensities are much more consistent between sites and provide more reliable paleointensity variation than previous data from lava interiors. I applied the method as Gubbins et al. [2006] to this single spot paleointensity variation from Japan, and obtained persisitent decay of the axial dipole moment over the last 400 years. Contrary to gufm1's assumption that g10 linearly decayed from 1590 to 1840 as extrapolating the post-1840 instrumental records, Gubbins et al. [2006] argued no definite temporal trend on g10 recognizable from the existing archeointensity database. The g10 variation calculated from the previous paleointensity data are seriously discredited by both age and intensity errors resulted from various materials, locations and experimental methods involved. Our single spot and well-dated paleointensity data are free from the problems and support persistent axial dipole decay for past 400 years as assumed in gufm1.

  4. Martian low-altitude magnetic topology deduced from MAVEN/SWEA observations

    NASA Astrophysics Data System (ADS)

    Xu, Shaosui; Mitchell, David; Liemohn, Michael; Fang, Xiaohua; Ma, Yingjuan; Luhmann, Janet; Brain, David; Steckiewicz, Morgane; Mazelle, Christian; Connerney, Jack; Jacosky, Bruce

    2016-10-01

    The Mars Atmosphere and Volatile Evolution (MAVEN) mission for the first time make regular particle and field measurements down to ~150 km altitude. The Solar Wind Electron Analyzer (SWEA) instrument provides 3-D measurements of the electron energy and angular distributions. This study presents the pitch angle-resolved shape parameters that can separate photoelectrons from solar wind electrons, therefore used to deduce the Martian magnetic topology. The three-dimensional view of the magnetic topology is manifested for the first time. The northern hemisphere is found to be dominated by the crustal closed field lines, instead of draped interplanetary magnetic fields (IMF), on the dayside and more day-night connections through cross-terminator closed field lines than in the south. This study can also single out open field lines attached to the dayside ionosphere, which provide possible passage for ion outflow. Magnetic topology governs energetic electrons' movement, thus necessary to understand nightside ionosphere, and aurora.

  5. Calculations of acceptor ionization energies in GaN

    NASA Astrophysics Data System (ADS)

    Wang, H.; Chen, A.-B.

    2001-03-01

    The k.p Hamiltonian and a model potential are used to deduce the acceptor ionization energies in GaN from a systematic study of the chemical trend in GaAs, GaP, and InP. The acceptors studied include Be, Mg, Ca, Zn, and Cd on the cation sites and C, Si, and Ge on the anion sites. Our calculated acceptor ionization energies are estimated to be accurate to better than 10% across the board. The ionization energies of C and Be (152 and 187 meV, respectively) in wurtzite GaN are found to be lower than that of Mg (224 meV). The C was found to behave like the hydrogenic acceptor in all systems and it has the smallest ionization energy among all the acceptors studied.

  6. An Anomaly in the Inglis-Teller Limits of the C VI Lyman and Balmer Series in Laser-Produced Plasmas

    NASA Astrophysics Data System (ADS)

    Elton, R.; Iglesias, E.; Griem, H.; Weaver, J.; Pien, G.; Mancini, R.

    2002-11-01

    Soft x-ray spectra from thin carbon layers heated by the OMEGA and NIKE lasers have been obtained with both spherical and planar targets, respectively, using a flat-field grazing incidence spectrograph equipped with a gated microchannel plate for temporal resolution. In both experiments, late-time (recombining) hydrogenic C VI spectra show an n-to-1 Lyman spectral series blending with the continuum at n=4, contrary to n=9 in the n-to-2 Balmer series. It appears unlikely that plasma inhomogeneities are the sole cause of this anomaly, given the difference in the experimental configurations. Other explanations for the line-to-continuum merging (other than the usual Stark-broadened Inglis-Teller effect) under consideration include non-thermal Doppler broadening, deviations from statistical sublevel population distributions, and opacity effects. Collisional-radiative and hydrodynamic modeling, including cascades, is employed to further understand this phenomenon.

  7. Enhanced vibronic interaction caused by local lattice symmetry lowering in the (Fe, Mg)As2 ternary system

    NASA Astrophysics Data System (ADS)

    Pishtshev, A.; Rubin, P.

    2018-04-01

    By means of periodic density functional theory (DFT) electronic structure calculations, we investigate iron-site doping effects in a structural model of bulk FeAs2. Simulations performed within the projector augmented-wave method-Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) functional scheme reveal that the impacts of the two stoichiometric substitutions Fe → Mg and Fe → Ni are radically different with respect to the structural and electronic behavior of the dopants. In particular, unlike the Ni dopant, the Mg dopant incorporated in FeAs2 occupies a noncentral equilibrium position characterized by an off-center displacement from the reference higher-symmetry position. Analysis of the respective electron and vibrational factors allows us to explain this result in terms of the local pseudo Jahn-Teller effect (pJTE). On the basis of DFT calculations, we deduce which electron orbitals and lattice vibrational modes are appropriate for promoting the local instability at the origin of the pJTE. Quantitative evaluations of the pJTE parameters performed within the polyatomic formalism of an effective tight-binding model show that it is just the enhanced vibronic interaction in the Mg-[FeAs6] cluster that is responsible for the local lattice symmetry breaking.

  8. Low energy dipole strength from large scale shell model calculations

    NASA Astrophysics Data System (ADS)

    Sieja, Kamila

    2017-09-01

    Low energy enhancement of radiative strength functions has been deduced from experiments in several mass regions of nuclei. Such an enhancement is believed to impact the calculated neutron capture rates which are crucial input for reaction rates of astrophysical interest. Recently, shell model calculations have been performed to explain the upbend of the γ-strength as due to the M1 transitions between close-lying states in the quasi-continuum in Fe and Mo nuclei. Beyond mean-↓eld calculations in Mo suggested, however, a non-negligible role of electric dipole in the low energy enhancement. So far, no calculations of both dipole components within the same theoretical framework have been presented in this context. In this work we present newly developed large scale shell model appraoch that allows to treat on the same footing natural and non-natural parity states. The calculations are performed in a large sd - pf - gds model space, allowing for 1p{1h excitations on the top of the full pf-shell con↓guration mixing. We restrict the discussion to the magnetic part of the dipole strength, however, we calculate for the ↓rst time the magnetic dipole strength between states built of excitations going beyond the classical shell model spaces. Our results corroborate previous ↓ndings for the M1 enhancement for the natural parity states while we observe no enhancement for the 1p{1h contributions. We also discuss in more detail the e↑ects of con↓guration mixing limitations on the enhancement coming out from shell model calculations.

  9. Coronal mass ejection kinematics deduced from white light (Solar Mass Ejection Imager) and radio (Wind/WAVES) observations

    NASA Astrophysics Data System (ADS)

    Reiner, M. J.; Jackson, B. V.; Webb, D. F.; Mizuno, D. R.; Kaiser, M. L.; Bougeret, J.-L.

    2005-09-01

    White-light and radio observations are combined to deduce the coronal and interplanetary kinematics of a fast coronal mass ejection (CME) that was ejected from the Sun at about 1700 UT on 2 November 2003. The CME, which was associated with an X8.3 solar flare from W56°, was observed by the Mauna Loa and Solar and Heliospheric Observatory (SOHO) Large-Angle Spectrometric Coronograph (LASCO) coronagraphs to 14 R⊙. The measured plane-of-sky speed of the LASCO CME was 2600 km s-1. To deduce the kinematics of this CME, we use the plane-of-sky white light observations from both the Solar Mass Ejection Imager (SMEI) all-sky camera on board the Coriolis spacecraft and the SOHO/LASCO coronagraph, as well as the frequency drift rate of the low-frequency radio data and the results of the radio direction-finding analysis from the WAVES experiment on the Wind spacecraft. In agreement with the in situ observations for this event, we find that both the white light and radio observations indicate that the CME must have decelerated significantly beginning near the Sun and continuing well into the interplanetary medium. More specifically, by requiring self-consistency of all the available remote and in situ data, together with a simple, but not unreasonable, assumption about the general characteristic of the CME deceleration, we were able to deduce the radial speed and distance time profiles for this CME as it propagated from the Sun to 1 AU. The technique presented here, which is applicable to mutual SMEI/WAVES CME events, is expected to provide a more complete description and better quantitative understanding of how CMEs propagate through interplanetary space, as well as how the radio emissions, generated by propagating CME/shocks, relate to the shock and CME. This understanding can potentially lead to more accurate predictions for the onset times of space weather events, such as those that were observed during this unique period of intense solar activity.

  10. Vibronic Analysis for widetilde{B} - widetilde{X} Transition of Isopropoxy Radical

    NASA Astrophysics Data System (ADS)

    Chhantyal-Pun, Rabi; Miller, Terry A.

    2013-06-01

    Alkoxy radicals are important intermediates in combustion and atmospheric chemistry. Alkoxy radicals are also of significant spectroscopic interest for the study of Jahn Teller and pseudo Jahn Teller effects, involving the widetilde{X} and widetilde{A} states. The Jahn Teller effect has been studied in methoxy. Substitution of one or two hydrogens by methyl groups transforms the interaction to a pseudo Jahn Teller effect in ethoxy and isopropoxy. Previously, moderate resolution scans have been obtained for widetilde{B} - widetilde{X} and widetilde{B} - widetilde{A} transition systems, the latter observable at higher temperature. These measurements have shown that the widetilde{X} and widetilde{A} states of isopropoxy are separated by only 60.7(7) cm^{-1} which indicates a strong pseudo Jahn Teller effect in the widetilde{X} state. Such pseduo Jahn Teller coupling should also introduce additional bands into the widetilde{B} - widetilde{X} spectrum and a number of weaker transitions have been observed which may be caused by such effects. In this talk we present a vibronic analysis for the widetilde{B} - widetilde{X} transition based on the experimental results and also the results from recent quantum chemistry calculations.

  11. Theoretical calculation of CH3F/N2-broadening coefficients and their temperature dependence

    NASA Astrophysics Data System (ADS)

    Jellali, C.; Maaroufi, N.; Aroui, H.

    2018-07-01

    Using Robert and Bonamy formalism (with parabolic and exact trajectories) based on the semi-classical impact theory, N2-broadening coefficients of methyl fluoride CH3F were calculated for transitions belonging to the PP-, PQ-, PR-, RP-, RQ- and RR- sub-branches of the ν6 perpendicular band near 8.5 μm. The calculations showed the predominance of the dipole-quadruple interaction. The J and K rotational quantum numbers dependencies of the computed coefficients that are consistent with previous measurements were clearly observed in this study. For a fixed value of J, we noticed a decrease in the broadening coefficients, which was more significant at lower J values. In order to deduce the temperature exponent, the N2-broadening coefficients of CH3F were calculated at various temperatures of atmospheric interest between 183 and 296 K with J ≤ 60 and K ≤ 10. These exponents were, in general, J-dependent and K-independent, except for K close to J.

  12. Antibiogram of bacteria isolated from automated teller machines in Hamadan, West Iran

    PubMed Central

    Mahmoudi, Hassan; Arabestani, Mohammad Reza; Alikhani, Mohammad Yousef; Sedighi, Iraj; Kohan, Hamed Farhadi; Molavi, Mohammad

    2017-01-01

    Aim: Bacteria are ubiquitous in the environment. In keeping with the continued expansion of urbanization and the growing population, an increasing number of people use automated banking, i.e. automated teller machines (ATMs). The aim of this study was to investigate the bacterial contamination and its antibiotic sensitivity on computer keyboards located at ATMs in Hamadan province, Iran. Method: Out of 360 ATMs at four locations in Hamadan, 96 were randomly selected for this study. The antibiotic susceptibility pattern of all isolates was determined by the agar disk diffusion method using gentamicin (10 µg), vancomycin (30 µg), trimethoprim/sulfamethoxazole (25 µg), amikacin (30 µg), tobramycin (10 µg), cephalotin (30 µg), norfloxacin (5 µg), and ceftizoxim (30 µg) disks. Results: Melli and Saderat Banks had the most frequently contaminated ATMS, with 18 (27.7%) and 12 (18.5%), respectively. The most frequently isolated bacteria were Staphylococcus epidermidis in 12 (18.5%) ATMs, Pseudomonas aeruginosa in 12 (18.5%), Bacillus subtilis in 11 (16.9%), Escherichia coli in 6 (9.2%), Klebsiella spp. in 8 (12.3%), Enterobacter spp. in 2 (3.1%), Bacillus cereus in 6 (9.2%), Staphylococcus aureus in 3 (4.6%), and Micrococcaceae spp. in 5 (7.69%) cases. All isolated bacteria were susceptible to gentamicin, cephalotin, tobramycin, amikacin, norfloxacin, and vancomycin. The S. aureus resistance rate to trimethoprim/sulfamethoxazole was 50%. Conclusion: All tested ATM keyboards were contaminated with at least one species of bacteria. Based on these findings, it is recommendable to disinfect the hands after entering one’s own apartment, work area or a hospital, in order to hinder the spread of critical pathogens in the personal environment or in the hospital. PMID:28197394

  13. Modular design, application architecture, and usage of a self-service model for enterprise data delivery: The Duke Enterprise Data Unified Content Explorer (DEDUCE)

    PubMed Central

    Horvath, Monica M.; Rusincovitch, Shelley A.; Brinson, Stephanie; Shang, Howard C.; Evans, Steve; Ferranti, Jeffrey M.

    2015-01-01

    Purpose Data generated in the care of patients are widely used to support clinical research and quality improvement, which has hastened the development of self-service query tools. User interface design for such tools, execution of query activity, and underlying application architecture have not been widely reported, and existing tools reflect a wide heterogeneity of methods and technical frameworks. We describe the design, application architecture, and use of a self-service model for enterprise data delivery within Duke Medicine. Methods Our query platform, the Duke Enterprise Data Unified Content Explorer (DEDUCE), supports enhanced data exploration, cohort identification, and data extraction from our enterprise data warehouse (EDW) using a series of modular environments that interact with a central keystone module, Cohort Manager (CM). A data-driven application architecture is implemented through three components: an application data dictionary, the concept of “smart dimensions”, and dynamically-generated user interfaces. Results DEDUCE CM allows flexible hierarchies of EDW queries within a grid-like workspace. A cohort “join” functionality allows switching between filters based on criteria occurring within or across patient encounters. To date, 674 users have been trained and activated in DEDUCE, and logon activity shows a steady increase, with variability between months. A comparison of filter conditions and export criteria shows that these activities have different patterns of usage across subject areas. Conclusions Organizations with sophisticated EDWs may find that users benefit from development of advanced query functionality, complimentary to the user interfaces and infrastructure used in other well-published models. Driven by its EDW context, the DEDUCE application architecture was also designed to be responsive to source data and to allow modification through alterations in metadata rather than programming, allowing an agile response to source

  14. Modular design, application architecture, and usage of a self-service model for enterprise data delivery: the Duke Enterprise Data Unified Content Explorer (DEDUCE).

    PubMed

    Horvath, Monica M; Rusincovitch, Shelley A; Brinson, Stephanie; Shang, Howard C; Evans, Steve; Ferranti, Jeffrey M

    2014-12-01

    Data generated in the care of patients are widely used to support clinical research and quality improvement, which has hastened the development of self-service query tools. User interface design for such tools, execution of query activity, and underlying application architecture have not been widely reported, and existing tools reflect a wide heterogeneity of methods and technical frameworks. We describe the design, application architecture, and use of a self-service model for enterprise data delivery within Duke Medicine. Our query platform, the Duke Enterprise Data Unified Content Explorer (DEDUCE), supports enhanced data exploration, cohort identification, and data extraction from our enterprise data warehouse (EDW) using a series of modular environments that interact with a central keystone module, Cohort Manager (CM). A data-driven application architecture is implemented through three components: an application data dictionary, the concept of "smart dimensions", and dynamically-generated user interfaces. DEDUCE CM allows flexible hierarchies of EDW queries within a grid-like workspace. A cohort "join" functionality allows switching between filters based on criteria occurring within or across patient encounters. To date, 674 users have been trained and activated in DEDUCE, and logon activity shows a steady increase, with variability between months. A comparison of filter conditions and export criteria shows that these activities have different patterns of usage across subject areas. Organizations with sophisticated EDWs may find that users benefit from development of advanced query functionality, complimentary to the user interfaces and infrastructure used in other well-published models. Driven by its EDW context, the DEDUCE application architecture was also designed to be responsive to source data and to allow modification through alterations in metadata rather than programming, allowing an agile response to source system changes. Copyright © 2014 Elsevier

  15. Comparison of β Values in Rocks Deduced From the Elastoacoustic Effect and From 3-Wave Mixing

    NASA Astrophysics Data System (ADS)

    Dangelo, R.; Winkler, K. W.; Johnson, D. L.

    2002-12-01

    We measure the changes in the speeds of sound in Berea, wet and dry, due to the application of non-isotropic stresses (elastoacoustic effect). From these measurements we deduce values of the 3rd order elastic constants, A,B,C. We insonify these same samples, immersed in a water tank, with well-characterized acoustic signals having frequency content f1 = 1.05 MHz and f2 = 0.95 MHz. The nonlinear properties of the samples generate a difference frequency component at Δ f = 100 kHz whose amplitude we measure (3-wave mixing). We analyze the combined effects of diffraction, attenuation, and nonlinearity on these difference frequency signals by means of the KZK equation, suitably modified to account for the actual frequency dependence of the attenuation in these samples. The attenuation of the higher frequency nonlinear signals, f1+f_2, 2f1, 2f2, precludes our ability to measure them. The values of β deduced from the 3-wave mixing measurements are in the hundreds whereas the values of β implied by the values of A,B,C are in the thousands. The same experiments on lucite yield β values consistent with each other: β ≈ 6. In lucite we are easily able to measure the higher frequency nonlinear signals. The high attenuation in rocks precludes their measurement at these frequencies.

  16. Application of Consistency Criteria To Calculate BET Areas of Micro- And Mesoporous Metal-Organic Frameworks.

    PubMed

    Gómez-Gualdrón, Diego A; Moghadam, Peyman Z; Hupp, Joseph T; Farha, Omar K; Snurr, Randall Q

    2016-01-13

    Metal-organic frameworks (MOFs) can exhibit exceptionally high surface areas, which are experimentally estimated by applying the BET theory to measured nitrogen isotherms. The Brunauer, Emmett, and Teller (BET)-estimated nitrogen monolayer loading is thus converted to a "BET area," but the meaning of MOF BET areas remains under debate. Recent emphasis has been placed on the usage of four so-called "BET consistency criteria." Using these criteria and simulated nitrogen isotherms for perfect crystals, we calculated BET areas for graphene and 25 MOFs having different pore-size distributions. BET areas were compared with their corresponding geometrically calculated, nitrogen-accessible surface areas (NASAs). Analysis of simulation snapshots elucidated the contributions of "pore-filling" and "monolayer-formation" to the nitrogen adsorption loadings in different MOF pores, revealing the origin of inaccuracies in BET-calculated monolayer loadings, which largely explain discrepancies between BET areas and NASAs. We also find that even if all consistency criteria are satisfied, the BET calculation can significantly overestimate the true monolayer loading, especially in MOFs combining mesopores (d ≥ 20 Å) and large micropores (d = 10-20 Å), due to the overlap of pore-filling and monolayer-formation regimes of these two kinds of pores. While it is not always possible to satisfy all consistency criteria, it is critical to minimize the deviation from these criteria during BET range selection to consistently compare BET areas of different MOFs and for comparing simulated and experimental BET areas of a given MOF. To accurately assess the quality of a MOF sample, it is best to compare experimental BET areas with simulated BET areas rather than with calculated NASAs.

  17. The mixing length parameter alpha. [in stellar structure calculations

    NASA Technical Reports Server (NTRS)

    Canuto, V. M.

    1990-01-01

    The standard mixing length theory, MLT, treats turbulent eddies as if they were isotropic, while the largest eddies that carry most of the flux are highly anisotropic. Recently, an anisotropic MLT was constructed, and the relevant equations derived. It is shown that these new equations can actually be cast in a form that is formally identical to that of the standard isotropic MLT, provided the mixing length parameter, derived from stellar structure calculations, is interpreted as an intermediate, auxiliary function alpha(x), where x, the degree of anisotropy is given as a function of the thermodynamic variables of the problem. The relation between alpha(x) and the physically relevant alpha(l = Hp) is also given. Once the value alpha is deduced, it is found to be a function of the local thermodynamic quantities, as expected.

  18. Beta-decay rate and beta-delayed neutron emission probability of improved gross theory

    NASA Astrophysics Data System (ADS)

    Koura, Hiroyuki

    2014-09-01

    A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for unmeasured nuclei are adopted from the KTUY nuclear mass formula, which is based on the spherical-basis method. Considering the properties of the integrated Fermi function, we can roughly categorized energy region of excited-state of a daughter nucleus into three regions: a highly-excited energy region, which fully affect a delayed neutron probability, a middle energy region, which is estimated to contribute the decay heat, and a region neighboring the ground-state, which determines the beta-decay rate. Some results will be given in the presentation. A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for

  19. Characterization of oxygen defects in diamond by means of density functional theory calculations

    NASA Astrophysics Data System (ADS)

    Thiering, Gergő; Gali, Adam

    2016-09-01

    Point defects in diamond are of high interest as candidates for realizing solid state quantum bits, bioimaging agents, or ultrasensitive electric or magnetic field sensors. Various artificial diamond synthesis methods should introduce oxygen contamination in diamond, however, the incorporation of oxygen into diamond crystal and the nature of oxygen-related point defects are largely unknown. Oxygen may be potentially interesting as a source of quantum bits or it may interact with other point defects which are well established solid state qubits. Here we employ plane-wave supercell calculations within density functional theory, in order to characterize the electronic and magneto-optical properties of various oxygen-related defects. Besides the trivial single interstitial and substitutional oxygen defects we also consider their complexes with vacancies and hydrogen atoms. We find that oxygen defects are mostly electrically active and introduce highly correlated orbitals that pose a challenge for density functional theory modeling. Nevertheless, we are able to identify the fingerprints of substitutional oxygen defect, the oxygen-vacancy and oxygen-vacancy-hydrogen complexes in the electron paramagnetic resonance spectrum. We demonstrate that first principles calculations can predict the motional averaging of the electron paramagnetic resonance spectrum of defects that are subject to Jahn-Teller distortion. We show that the high-spin neutral oxygen-vacancy defect exhibits very fast nonradiative decay from its optical excited state that might hinder applying it as a qubit.

  20. Initial Development and Testing of a State-of-the-Art Method to Quantify Hydrologic Model Uncertainty

    DTIC Science & Technology

    2013-09-01

    H. Teller , and E. Teller . 1953. Equation of state calculations by fast computing machines . J Chem Phys, 21: 1087-1092. Skahill, B. E. 2012. Practice...of DE-MC sampler burn-in, a hybrid semi- automated approach was implemented, consistent with available guidance regarding practical application of...treatment of jump proposal dimensions that are out of bounds, and a hybrid, heuristic, semi- automated approach for assessing convergence of the DE-MC

  1. Ashkin-Teller criticality and weak first-order behavior of the phase transition to a fourfold degenerate state in two-dimensional frustrated Ising antiferromagnets

    NASA Astrophysics Data System (ADS)

    Liu, R. M.; Zhuo, W. Z.; Chen, J.; Qin, M. H.; Zeng, M.; Lu, X. B.; Gao, X. S.; Liu, J.-M.

    2017-07-01

    We study the thermal phase transition of the fourfold degenerate phases (the plaquette and single-stripe states) in the two-dimensional frustrated Ising model on the Shastry-Sutherland lattice using Monte Carlo simulations. The critical Ashkin-Teller-like behavior is identified both in the plaquette phase region and the single-stripe phase region. The four-state Potts critical end points differentiating the continuous transitions from the first-order ones are estimated based on finite-size-scaling analyses. Furthermore, a similar behavior of the transition to the fourfold single-stripe phase is also observed in the anisotropic triangular Ising model. Thus, this work clearly demonstrates that the transitions to the fourfold degenerate states of two-dimensional Ising antiferromagnets exhibit similar transition behavior.

  2. Structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 phases from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Li, X. D.; Li, K.; Wei, C. H.; Han, W. D.; Zhou, N. G.

    2018-06-01

    The structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 are systematically investigated by using first-principles calculations method based on density functional theory (DFT). The calculated formation enthalpies and cohesive energies show that CaSi2 possesses the greatest structural stability and CaSi has the strongest alloying ability. The structural stability of the three phases is compared according to electronic structures. Further analysis on electronic structures indicates that the bonding of these phases exhibits the combinations of metallic, covalent, and ionic bonds. The elastic constants are calculated, and the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and anisotropy factor of polycrystalline materials are deduced. Additionally, the thermodynamic properties were theoretically predicted and discussed.

  3. Characteristics of middle and upper tropospheric clouds as deduced from rawinsonde data

    NASA Technical Reports Server (NTRS)

    Starr, D. D. O.; Cox, S. K.

    1982-01-01

    The static environment of middle and upper tropospheric clouds is characterized. Computed relative humidity with respect to ice is used to diagnose the presence of cloud layer. The deduced seasonal mean cloud cover estimates based on this technique are shown to be reasonable. The cases are stratified by season and pressure thickness, and the dry static stability, vertical wind speed shear, and Richardson number are computed for three layers for each case. Mean values for each parameter are presented for each stratification and layer. The relative frequency of occurrence of various structures is presented for each stratification. The observed values of each parameter and the observed structure of each parameter are quite variable. Structures corresponding to any of a number of different conceptual models may be found. Moist adiabatic conditions are not commonly observed and the stratification based on thickness yields substantially different results for each group.

  4. Predictable 'meta-mechanisms' emerge from feedbacks between transpiration and plant growth and cannot be simply deduced from short-term mechanisms.

    PubMed

    Tardieu, François; Parent, Boris

    2017-06-01

    Growth under water deficit is controlled by short-term mechanisms but, because of numerous feedbacks, the combination of these mechanisms over time often results in outputs that cannot be deduced from the simple inspection of individual mechanisms. It can be analysed with dynamic models in which causal relationships between variables are considered at each time-step, allowing calculation of outputs that are routed back to inputs for the next time-step and that can change the system itself. We first review physiological mechanisms involved in seven feedbacks of transpiration on plant growth, involving changes in tissue hydraulic conductance, stomatal conductance, plant architecture and underlying factors such as hormones or aquaporins. The combination of these mechanisms over time can result in non-straightforward conclusions as shown by examples of simulation outputs: 'over production of abscisic acid (ABA) can cause a lower concentration of ABA in the xylem sap ', 'decreasing root hydraulic conductance when evaporative demand is maximum can improve plant performance' and 'rapid root growth can decrease yield'. Systems of equations simulating feedbacks over numerous time-steps result in logical and reproducible emergent properties that can be viewed as 'meta-mechanisms' at plant level, which have similar roles as mechanisms at cell level. © 2016 John Wiley & Sons Ltd.

  5. Optimal atomic structure of amorphous silicon obtained from density functional theory calculations

    NASA Astrophysics Data System (ADS)

    Pedersen, Andreas; Pizzagalli, Laurent; Jónsson, Hannes

    2017-06-01

    Atomic structure of amorphous silicon consistent with several reported experimental measurements has been obtained from annealing simulations using electron density functional theory calculations and a systematic removal of weakly bound atoms. The excess energy and density with respect to the crystal are well reproduced in addition to radial distribution function, angular distribution functions, and vibrational density of states. No atom in the optimal configuration is locally in a crystalline environment as deduced by ring analysis and common neighbor analysis, but coordination defects are present at a level of 1%-2%. The simulated samples provide structural models of this archetypal disordered covalent material without preconceived notion of the atomic ordering or fitting to experimental data.

  6. Pu 236 ( n , f ) , Pu 237 ( n , f ) , and Pu 238 ( n , f ) cross sections deduced from ( p , t ) , ( p , d ) , and ( p , p ' ) surrogate reactions

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

    Hughes, R. O.; Beausang, C. W.; Ross, T. J.

    2014-07-01

    The Pu 236(n,f), Pu 237(n,f) and Pu 238(n,f) cross sections have been inferred by utilizing the surrogate ratio method. Targets of Pu 239 and U 235 were bombarded with 28.5-MeV protons, and the light ion recoils, as well as fission fragments, were detected using the STARS detector array at the K150 Cyclotron at the Texas A&M cyclotron facility. The (p, tf) reaction on Pu 239 and U 235 targets was used to deduce the σ (Pu 236(n,f))/σ(U 232(n,f)) ratio, and the Pu 236(n,f) cross section was subsequently determined for En=0.5–7.5 MeV. Similarly, the (p,df) reaction on the same two targetsmore » was used to deduce the σ(Pu 237(n,f))/σ(U 233(n,f)) ratio, and the Pu 237(n,f) cross section was extracted in the energy range En=0.5–7 MeV. The Pu 238(n,f) cross section was also deduced by utilizing the (p,p') reaction channel on the same targets. There is good agreement with the recent ENDF/B-VII.1 evaluated cross section data for Pu 238(n,f) in the range En=0.5–10.5 MeV and for Pu 237(n,f) in the range En=0.5–7 MeV; however, the Pu 236(n,f) cross section deduced in the present work is higher than the evaluation between 2 and 7 MeV.« less

  7. α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: new quaternary mixed metal oxides composed of only second-order Jahn-Teller distortive cations.

    PubMed

    Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min

    2013-10-07

    Three new quaternary scandium vanadium selenium/tellurium oxides, α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8 have been synthesized through hydrothermal and standard solid-state reactions. Although all three reported materials are stoichiometrically similar, they exhibit different crystal structures: α-ScVSe2O8 has a three-dimensional framework structure consisting of ScO6, VO6, and SeO3 groups. β-ScVSe2O8 reveals another three-dimensional framework composed of ScO7, VO5, and SeO3 polyhedra. ScVTe2O8 shows a layered structure with ScO6, VO4, and TeO4 polyhedra. Interestingly, the constituent cations, that is, Sc(3+), V(5+), Se(4+), and Te(4+) are all in a distorted coordination environment attributable to second-order Jahn-Teller (SOJT) effects. Complete characterizations including infrared spectroscopy, elemental analyses, thermal analyses, dipole moment calculation, and the magnitudes of out-of-center distortions for the compounds are reported. Transformation reactions suggest that α-ScVSe2O8 may change to β-ScVSe2O8, and then to Sc2(SeO3)3·H2O under hydrothermal conditions.

  8. Half-Lives of Proton Emitters With a Deformed Density-Dependent Model

    NASA Astrophysics Data System (ADS)

    Qian, Yi-Bin; Ren, Zhong-Zhou; Ni, Dong-Dong; Sheng, Zong-Qiang

    2010-11-01

    Half-lives of proton radioactivity are investigated with a deformed density-dependent model. The single folding potential which is dependent on deformation and orientation is employed to calculate the proton decay width through the deformed potential barrier. In addition, the spectroscopic factor is taken into account in the calculation, which is obtained in the relativistic mean field theory with NL3. The calculated results of semi-spherical nuclei are found to be in good agreement with the experimental data, and the results of well-deformed nuclei are also satisfactory. Moreover, a formula for the spherical proton emission half-life based on the Gamow quantum tunneling theory is presented.

  9. Proton-Decay Spectroscopic Studies of the Exotic Nuclides 23Al, 23Si, 22Al and 77Rb

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

    Rowe, Michael William

    Aluminum-23 was produced by 40 MeV 3He 2+ bombardments of Mg targets in four experiments at the LBNL 88” Cyclotron. Reaction products were transported via helium-jet to a detection chamber where they were counted using two low-energy particle -identif ication (PI) telescopes. New proton groups were observed with laboratory energies (and intensities relative to the known peak at 838±5 keV) of 246±20 (33±3%) and 556±5 keV (68±5%), respectively. Several possible decay assignments are discussed for the former group. The possibility that it originates from the decay through the isobaric analog state (IAS) and corresponding implications for isospin mixing and themore » proton-capture resonance strength are discussed. The Gamow-TelIer strength function has been deduced from these and several weaker proton transitions; the results are compared with theoretical predictions.« less

  10. Adult Competency Education Kit. Basic Skills in Speaking, Math, and Reading for Employment. Part N. ACE Competency Based Job Descriptions: #65--Typist I; #67--Grocery Checker; #68--File Clerk; #69--Receptionist; #70--Bank Teller; #71--Clerk, General Office.

    ERIC Educational Resources Information Center

    San Mateo County Office of Education, Redwood City, CA. Career Preparation Centers.

    This eleventh of fifteen sets of Adult Competency Education (ACE) Competency Based Job Descriptions in the ACE kit contains job descriptions for Typist I, Grocery Checker, File Clerk, Receptionist; Bank Teller; and Clerk, General Office. Each begins with a fact sheet that includes this information: occupational title, D.O.T. code, ACE number,…

  11. Evolutionary Steps in the Emergence of Life Deduced from the Bottom-Up Approach and GADV Hypothesis (Top-Down Approach)

    PubMed Central

    Ikehara, Kenji

    2016-01-01

    It is no doubt quite difficult to solve the riddle of the origin of life. So, firstly, I would like to point out the kinds of obstacles there are in solving this riddle and how we should tackle these difficult problems, reviewing the studies that have been conducted so far. After that, I will propose that the consecutive evolutionary steps in a timeline can be rationally deduced by using a common event as a juncture, which is obtained by two counter-directional approaches: one is the bottom-up approach through which many researchers have studied the origin of life, and the other is the top-down approach, through which I established the [GADV]-protein world hypothesis or GADV hypothesis on the origin of life starting from a study on the formation of entirely new genes in extant microorganisms. Last, I will describe the probable evolutionary process from the formation of Earth to the emergence of life, which was deduced by using a common event—the establishment of the first genetic code encoding [GADV]-amino acids—as a juncture for the results obtained from the two approaches. PMID:26821048

  12. Evolutionary Steps in the Emergence of Life Deduced from the Bottom-Up Approach and GADV Hypothesis (Top-Down Approach).

    PubMed

    Ikehara, Kenji

    2016-01-26

    It is no doubt quite difficult to solve the riddle of the origin of life. So, firstly, I would like to point out the kinds of obstacles there are in solving this riddle and how we should tackle these difficult problems, reviewing the studies that have been conducted so far. After that, I will propose that the consecutive evolutionary steps in a timeline can be rationally deduced by using a common event as a juncture, which is obtained by two counter-directional approaches: one is the bottom-up approach through which many researchers have studied the origin of life, and the other is the top-down approach, through which I established the [GADV]-protein world hypothesis or GADV hypothesis on the origin of life starting from a study on the formation of entirely new genes in extant microorganisms. Last, I will describe the probable evolutionary process from the formation of Earth to the emergence of life, which was deduced by using a common event-the establishment of the first genetic code encoding [GADV]-amino acids-as a juncture for the results obtained from the two approaches.

  13. On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl-He complex.

    PubMed

    Ajili, Yosra; Hammami, Kamel; Jaidane, Nejm Eddine; Lanza, Mathieu; Kalugina, Yulia N; Lique, François; Hochlaf, Majdi

    2013-07-07

    We closely compare the accuracy of multidimensional potential energy surfaces (PESs) generated by the recently developed explicitly correlated coupled cluster (CCSD(T)-F12) methods in connection with the cc-pVXZ-F12 (X = D, T) and aug-cc-pVTZ basis sets and those deduced using the well-established orbital-based coupled cluster techniques employing correlation consistent atomic basis sets (aug-cc-pVXZ, X = T, Q, 5) and extrapolated to the complete basis set (CBS) limit. This work is performed on the benchmark rare gas-hydrogen halide interaction (HCl-He) system. These PESs are then incorporated into quantum close-coupling scattering dynamical calculations in order to check the impact of the accuracy of the PES on the scattering calculations. For this system, we deduced inelastic collisional data including (de-)excitation collisional and pressure broadening cross sections. Our work shows that the CCSD(T)-F12/aug-cc-pVTZ PES describes correctly the repulsive wall, the van der Waals minimum and long range internuclear distances whereas cc-pVXZ-F12 (X = D,T) basis sets are not diffuse enough for that purposes. Interestingly, the collision cross sections deduced from the CCSD(T)-F12/aug-cc-pVTZ PES are in excellent agreement with those obtained with CCSD(T)/CBS methodology. The position of the resonances and the general shape of these cross sections almost coincide. Since the cost of the electronic structure computations is reduced by several orders of magnitude when using CCSD(T)-F12/aug-cc-pVTZ compared to CCSD(T)/CBS methodology, this approach can be recommended as an alternative for generation of PESs of molecular clusters and for the interpretation of accurate scattering experiments as well as for a wide production of collisional data to be included in astrophysical and atmospherical models.

  14. A few ways of calculating the similarity parameter kappa* for real gases. [increase Reynolds number in cryogenic wind tunnels

    NASA Technical Reports Server (NTRS)

    Lorenz-Meyer, W.

    1977-01-01

    In connection with the question on the applicability of test results obtained from cryogenic wind tunnels to the large-scale model the similarity parameter is referred to. A simple method is given for calculating the similarity parameter. From the numerical values obtained it can be deduced that nitrogen behaves practically like an ideal gas when it is close to the saturation point and in a pressure range up to 4 bar. The influence of this parameter on the pressure distribution of a supercritical profile confirms this finding.

  15. Radiative data for highly excited 3d84d levels in Ni II from laboratory measurements and atomic calculations

    NASA Astrophysics Data System (ADS)

    Hartman, H.; Engström, L.; Lundberg, H.; Nilsson, H.; Quinet, P.; Fivet, V.; Palmeri, P.; Malcheva, G.; Blagoev, K.

    2017-04-01

    Aims: This work reports new experimental radiative lifetimes and calculated oscillator strengths for transitions from 3d84d levels of astrophysical interest in singly ionized nickel. Methods: Radiative lifetimes of seven high-lying levels of even parity in Ni II (98 400-100 600 cm-1) have been measured using the time-resolved laser-induced fluorescence method. Two-step photon excitation of ions produced by laser ablation has been utilized to populate the levels. Theoretical calculations of the radiative lifetimes of the measured levels and transition probabilities from these levels are reported. The calculations have been performed using a pseudo-relativistic Hartree-Fock method, taking into account core polarization effects. Results: A new set of transition probabilities and oscillator strengths has been deduced for 477 Ni II transitions of astrophysical interest in the spectral range 194-520 nm depopulating even parity 3d84d levels. The new calculated gf-values are, on the average, about 20% higher than a previous calculation and yield lifetimes within 5% of the experimental values.

  16. High-precision branching ratio measurement for the superallowed β+ emitter Ga62

    NASA Astrophysics Data System (ADS)

    Finlay, P.; Ball, G. C.; Leslie, J. R.; Svensson, C. E.; Towner, I. S.; Austin, R. A. E.; Bandyopadhyay, D.; Chaffey, A.; Chakrawarthy, R. S.; Garrett, P. E.; Grinyer, G. F.; Hackman, G.; Hyland, B.; Kanungo, R.; Leach, K. G.; Mattoon, C. M.; Morton, A. C.; Pearson, C. J.; Phillips, A. A.; Ressler, J. J.; Sarazin, F.; Savajols, H.; Schumaker, M. A.; Wong, J.

    2008-08-01

    A high-precision branching ratio measurement for the superallowed β+ decay of Ga62 was performed at the Isotope Separator and Accelerator (ISAC) radioactive ion beam facility. The 8π spectrometer, an array of 20 high-purity germanium detectors, was employed to detect the γ rays emitted following Gamow-Teller and nonanalog Fermi β+ decays of Ga62, and the SCEPTAR plastic scintillator array was used to detect the emitted β particles. Thirty γ rays were identified following Ga62 decay, establishing the superallowed branching ratio to be 99.858(8)%. Combined with the world-average half-life and a recent high-precision Q-value measurement for Ga62, this branching ratio yields an ft value of 3074.3±1.1 s, making Ga62 among the most precisely determined superallowed ft values. Comparison between the superallowed ft value determined in this work and the world-average corrected F tmacr value allows the large nuclear-structure-dependent correction for Ga62 decay to be experimentally determined from the CVC hypothesis to better than 7% of its own value, the most precise experimental determination for any superallowed emitter. These results provide a benchmark for the refinement of the theoretical description of isospin-symmetry breaking in A⩾62 superallowed decays.

  17. Nuclear spin-isospin excitations from covariant quasiparticle-vibration coupling

    NASA Astrophysics Data System (ADS)

    Robin, Caroline; Litvinova, Elena

    2016-09-01

    Methods based on the relativistic Lagrangian of quantum hadrodynamics and nuclear field theory provide a consistent framework for the description of nuclear excitations, naturally connecting the high- and medium-energy scales of mesons to the low-energy domain of nucleonic collective motion. Applied in the neutral channel, this approach has been quite successful in describing the overall transition strength up to high excitation energies, as well as fine details of the low-lying distribution. Recently, this method has been extended to the description of spin-isospin excitations in open-shell nuclei. In the charge-exchange channel, the coupling between nucleons and collective vibrations generates a time-dependent proton-neutron effective interaction, in addition to the static pion and rho-meson exchange, and introduces complex configurations that induce fragmentation and spreading of the resonances. Such effects have a great impact on the quenching of the strength and on the computing of weak reaction rates that are needed for astrophysics modeling. Gamow-Teller transitions in medium-mass nuclei and associated beta-decay half-lives will be presented. Further developments aiming to include additional ground-state correlations will also be discussed. This work is supported by US-NSF Grants PHY-1404343 and PHY-1204486.

  18. High energy-resolution measurement of the Se 82 ( He 3 , t ) Br 82 reaction for double- β decay and for solar neutrinos

    DOE PAGES

    Frekers, D.; Alanssari, M.; Adachi, T.; ...

    2016-07-21

    For this study, a high-resolution ( 3He,t) charge-exchange experiment at an incident energy of 420 MeV has been performed on the double beta (ββ) decay nucleus 82Se. A detailed Gamow-Teller (GT -) strength distribution in 82Br has been extracted, which provides information to the ββ-decay nuclear matrix elements. Three strong and isolated transitions, which are to the 75, 1484 and the 2087 keV states in 82Br, are found to dominate the low-excitation region below ≈ 2.1 MeV. Above 2.1 MeV a sudden onset of a strong GT fragmentation is observed. The degree of fragmentation resembles a situation found in themore » neighboring A = 76 system 76Ge, whereas the observed concentration of strength in the three low-lying states is reminiscent of the heavier neighbors 96Zr and 100Mo. The strong GT transition to the 75 keV (1 +) state makes 82Se interesting for solar neutrino detection. The 82Se(ν e,e -) 82Br solar neutrino capture rate in a nonoscillation scenario is therefore evaluated to 668 ± 12(stat) ± 60(sys) SNU, and some of the advantages of using selenium for solar neutrino studies are discussed.« less

  19. Contribution of Jahn-Teller and charge transfer excitations to the photovoltaic effect of manganite/titanite heterojunctions

    NASA Astrophysics Data System (ADS)

    Ifland, Benedikt; Hoffmann, Joerg; Kressdorf, Birte; Roddatis, Vladimir; Seibt, Michael; Jooss, Christian

    2017-06-01

    The effect of correlation effects on photovoltaic energy conversion at manganite/titanite heterojunctions is investigated. As a model system we choose a heterostructure consisting of the small polaron absorber Pr0.66Ca0.34MnO3 (PCMO) epitaxially grown on single-crystalline Nb-doped SrTi0.998Nb0.002O3 (STNO) substrates. The high structural and chemical quality of the interfaces is proved by detailed characterization using high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) studies. Spectrally resolved and temperature-dependent photovoltaic measurements show pronounced contributions of both the Jahn-Teller (JT) excitations and the charge transfer (CT) transitions to the photovoltaic effect at different photon energies. A linear temperature dependence of the open-circuit voltage for an excitation in the PCMO manganite is only observed below the charge-ordering temperature, indicating that the diffusion length of the photocarrier exceeds the size of the space charge region. The photovoltaic response is compared to that of a heterojunction of lightly doped Pr0.05Ca0.95MnO3 (CMO)/STNO, where the JT transition is absent. Here, significant contributions of the CT transition to the photovoltaic effect set in below the Neel temperature. We conclude that polaronic correlations and ordering effects are essentials for photovoltaic energy conversion in manganites.

  20. Calculation of K-shell fluorescence yields for low-Z elements

    NASA Astrophysics Data System (ADS)

    Nekkab, M.; Kahoul, A.; Deghfel, B.; Aylikci, N. Küp; Aylikçi, V.

    2015-03-01

    The analytical methods based on X-ray fluorescence are advantageous for practical applications in a variety of fields including atomic physics, X-ray fluorescence surface chemical analysis and medical research and so the accurate fluorescence yields (ωK) are required for these applications. In this contribution we report a new parameters for calculation of K-shell fluorescence yields (ωK) of elements in the range of 11≤Z≤30. The experimental data are interpolated by using the famous analytical function (ωk/(1 -ωk)) 1 /q (were q=3, 3.5 and 4) vs Z to deduce the empirical K-shell fluorescence yields. A comparison is made between the results of the procedures followed here and those theoretical and other semi-empirical fluorescence yield values. Reasonable agreement was typically obtained between our result and other works.

  1. First spin-parity constraint of the 306 keV resonance in Cl 35 for nova nucleosynthesis

    DOE PAGES

    Chipps, K. A.; Rutgers Univ., New Brunswick, NJ; Pain, S. D.; ...

    2017-04-28

    Something of particular interest in astrophysics is the 34 S ( p , γ ) 35 Cl reaction, which serves as a stepping stone in thermonuclear runaway reaction chains during a nova explosion. Although the isotopes involved are all stable, the reaction rate of this significant step is not well known, due to a lack of experimental spectroscopic information on states within the Gamow window above the proton separation threshold of 35 Cl . Furthermore, measurements of level spins and parities provide input for the calculation of resonance strengths, which ultimately determine the astrophysical reaction rate of the 34 Smore » ( p , γ ) 35 Cl proton capture reaction. By performing the 37 Cl ( p , t ) 35 Cl reaction in normal kinematics at the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory, we have conducted a study of the region of astrophysical interest in 35 Cl , and have made the first-ever constraint on the spin and parity assignment for a level at 6677 ± 15 keV ( E r = 306 keV), inside the Gamow window for novae.« less

  2. First spin-parity constraint of the 306 keV resonance in 35Cl for nova nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Chipps, K. A.; Pain, S. D.; Kozub, R. L.; Bardayan, D. W.; Cizewski, J. A.; Chae, K. Y.; Liang, J. F.; Matei, C.; Moazen, B. H.; Nesaraja, C. D.; O'Malley, P. D.; Peters, W. A.; Pittman, S. T.; Schmitt, K. T.; Smith, M. S.

    2017-04-01

    Of particular interest in astrophysics is the 34S(p ,γ )35Cl reaction, which serves as a stepping stone in thermonuclear runaway reaction chains during a nova explosion. Though the isotopes involved are all stable, the reaction rate of this significant step is not well known, due to a lack of experimental spectroscopic information on states within the Gamow window above the proton separation threshold of 35Cl. Measurements of level spins and parities provide input for the calculation of resonance strengths, which ultimately determine the astrophysical reaction rate of the 34S(p ,γ )35Cl proton capture reaction. By performing the 37Cl(p ,t )35Cl reaction in normal kinematics at the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory, we have conducted a study of the region of astrophysical interest in 35Cl, and have made the first-ever constraint on the spin and parity assignment for a level at 6677 ±15 keV (Er=306 keV), inside the Gamow window for novae.

  3. A Hypothesis: Life Initiated from Two Genes, as Deduced from the RNA World Hypothesis and the Characteristics of Life-Like Systems

    PubMed Central

    Kawamura, Kunio

    2016-01-01

    RNA played a central role in the emergence of the first life-like system on primitive Earth since RNA molecules contain both genetic information and catalytic activity. However, there are several drawbacks regarding the RNA world hypothesis. Here, I briefly discuss the feasibility of the RNA world hypothesis to deduce the RNA functions that are essential for forming a life-like system. At the same time, I have conducted a conceptual analysis of the characteristics of biosystems as a useful approach to deduce a realistic life-like system in relation to the definition of life. For instance, an RNA-based life-like system should possess enough stability to resist environmental perturbations, by developing a cell-like compartment, for instance. Here, a conceptual viewpoint is summarized to provide a realistic life-like system that is compatible with the primitive Earth environment and the capabilities of RNA molecules. According to the empirical and conceptual analysis, I propose the hypothesis that the first life-like system could have initiated from only two genes. PMID:27490571

  4. A hybrid analytical model for open-circuit field calculation of multilayer interior permanent magnet machines

    NASA Astrophysics Data System (ADS)

    Zhang, Zhen; Xia, Changliang; Yan, Yan; Geng, Qiang; Shi, Tingna

    2017-08-01

    Due to the complicated rotor structure and nonlinear saturation of rotor bridges, it is difficult to build a fast and accurate analytical field calculation model for multilayer interior permanent magnet (IPM) machines. In this paper, a hybrid analytical model suitable for the open-circuit field calculation of multilayer IPM machines is proposed by coupling the magnetic equivalent circuit (MEC) method and the subdomain technique. In the proposed analytical model, the rotor magnetic field is calculated by the MEC method based on the Kirchhoff's law, while the field in the stator slot, slot opening and air-gap is calculated by subdomain technique based on the Maxwell's equation. To solve the whole field distribution of the multilayer IPM machines, the coupled boundary conditions on the rotor surface are deduced for the coupling of the rotor MEC and the analytical field distribution of the stator slot, slot opening and air-gap. The hybrid analytical model can be used to calculate the open-circuit air-gap field distribution, back electromotive force (EMF) and cogging torque of multilayer IPM machines. Compared with finite element analysis (FEA), it has the advantages of faster modeling, less computation source occupying and shorter time consuming, and meanwhile achieves the approximate accuracy. The analytical model is helpful and applicable for the open-circuit field calculation of multilayer IPM machines with any size and pole/slot number combination.

  5. Minimal nuclear energy density functional

    NASA Astrophysics Data System (ADS)

    Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; Perez, Rodrigo Navarro; Schunck, Nicolas

    2018-04-01

    We present a minimal nuclear energy density functional (NEDF) called "SeaLL1" that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ɛr=0.022 fm and a standard deviation σr=0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body (NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.

  6. Minimal nuclear energy density functional

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

    Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi

    Inmore » this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.« less

  7. Minimal nuclear energy density functional

    DOE PAGES

    Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; ...

    2018-04-17

    Inmore » this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.« less

  8. Magnetostructural Properties of Colossal Magnetoresistance Manganites Under External Magnetic Fields and Uniaxial Pressure

    NASA Astrophysics Data System (ADS)

    Kaplan, Michael; Zimmerman, George

    2002-03-01

    In the colossal magnetoresistance manganites the transport and magnetostructural properties are tightly connected [1,2]. Many magnetic field induced structural phase transitions and anomalous magnetoacoustical properties continue to be discovered in various manganite derivatives. Nevertheless the mechanism of structural transitions and microscopic theory of corresponding anomalous properties are still to be completely understood. Here we present a microscopic model of magnetic field and uniaxial pressure induced structural phase transitions in lightly doped manganites. The model is based on the cooperative Jahn-Teller effect which takes into account the Mn3+-ground doublet and excited triplet electronic states. Numerous calculations for different orientation magnetic field suggest the explanations of the origin of the structural transitions and of the measured magnetostriction data. The calculations for the two-sublattice antiferrodistortive crystals under uniaxial pressure support the idea of metaelasticity - a property typical for Jahn-Teller antiferroelastics. 1.Y. Tokura, ed. Colossal Magnetoresistance Oxides. Gordon & Breach, London, 2000. 2.M. Kaplan, G. Zimmerman, eds. Vibronic Interactions: Jahn-Teller Effect in Crystal and Molecules. NATO Science Series, Dordrecht/Boston/London, 2001

  9. Radial plasma drifts deduced from VLF whistler mode signals - A modelling study

    NASA Astrophysics Data System (ADS)

    Poulter, E. M.; Andrews, M. K.; Bailey, G. J.; Moffett, R. J.

    1984-05-01

    VLF whistler mode signals have previously been used to infer radial plasma drifts in the equatorial plane of the plasmasphere and the field-aligned ionosphere-protonosphere coupling fluxes. Physical models of the plasmasphere consisting of O(+) adn H(+) ions along dipole magnetic field lines, and including radial E x B drifts, are applied to a mid-latitude flux tube appropriate to whistler mode signals received at Wellington, New Zealand, from the fixed frequency VLF transmitter NLK (18.6 kHz) in Seattle, U.S.A. These models are first shown to provide a good representation of the recorded Doppler shift and group delay data. They are then used to simulate the process of deducing the drifts and fluxes from the recorded data. Provided the initial whistler mode duct latitude and the ionospheric contributions are known, the drifts at the equatorial plane can be estimated to about + or - 20 m/s (approximately 10-15 percent), and the two hemisphere ionosphere-protonosphere coupling fluxes to about + or - 10 to the 12th/sq m-sec (approximately 40 percent).

  10. Neutron and X-ray investigations of the Jahn–Teller switch in partially deuterated ammonium copper Tutton salt, (NH 4 ) 2 [Cu(H 2 O) 6 ](SO 4 ) 2

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

    Jørgensen, Mads R. V.; Piccoli, Paula M. B.; Hathwar, Venkatesha R.

    2017-01-31

    The structural phase transition accompanied by a Jahn–Teller switch has been studied over a range of H/D ratios in (NH 4) 2[Cu(H 2O) 6](SO 4) 2(ACTS). In particular, single-crystal neutron diffraction investigations of crystals with deuteration in the range 50 to 82% are shown to be consistent with previous electron paramagnetic resonance (EPR) experiments exhibiting a phase boundary at 50% deuteration under ambient pressure. Polycrystalline samples show that the two phases can co-exist. In addition, single-crystal neutron and polycrystalline X-ray diffraction pressure experiments show a shift to lower pressure at 60% deuterationversusprevious measurements at 100% deuteration.

  11. Foreword

    NASA Astrophysics Data System (ADS)

    Zhuk, A. I.; Ryabov, M. I.

    This issue includes articles based on some plenary reports made during the 5th International Gamow Conference and the 15th Gamow conference-school. The Conference was devoted to a number of remarkable events:the 111 year Jubilee of George Gamow, one of the great physicists and cosmologists of the 20th century; the 150th anniversary of the Odessa I.I. Mechnikov National University and the Department of Astronomy; the 100th and 110th anniversaries of the Einstein's general and special relativity; the 50th anniversary of the discovery of cosmic microwave background (CMB) predicted by Gamow. The number 111 (three units!) represents the three major fundamental Gamow's achievements: alpha decay, the hot model of the universe and the prediction of CMB and deciphering of the genetic code. With 120 experts from 13 countries (Ukraine, Russia, Azerbaijan, Georgia, France, Italy, Switzerland, Poland, Egypt, Kazakhstan, Czech Republic, Belarus, USA) delivering 20 plenary talks, 113 contributed talks and 21 posters, both the Conference and the School were very successful. The main topics of the Conference were astrophysics, cosmology, gravity, high energy physics, radioastronomy, solar activity, solar system and astrobiology. Organizing Institutions: Odessa I.I. Mechnikov National University (Astronomical Observatory and Astronomy Department), Radio-Astronomical Institute of the NAS of Ukraine, Odessa Astronomical Society. The conference was held with the support of Ukrainian Astronomical Association, Euroasian Astronomical Society, Department of Physics and Astronomy of the NAS of Ukraine, South Scientific Center of the NAS of Ukraine.

  12. Deducing the pathogenic contribution of recessive ABCA4 alleles in an outbred population.

    PubMed

    Schindler, Emily I; Nylen, Erik L; Ko, Audrey C; Affatigato, Louisa M; Heggen, Andrew C; Wang, Kai; Sheffield, Val C; Stone, Edwin M

    2010-10-01

    Accurate prediction of the pathogenic effects of specific genotypes is important for the design and execution of clinical trials as well as for meaningful counseling of individual patients. However, for many autosomal recessive diseases, it can be difficult to deduce the relative pathogenic contribution of individual alleles because relatively few affected individuals share the same two disease-causing variations. In this study, we used multiple regression analysis to estimate the pathogenicity of specific alleles of ABCA4 in patients with retinal phenotypes ranging from Stargardt disease to retinitis pigmentosa. This analysis revealed quantitative allelic effects on two aspects of the visual phenotype, visual acuity (P < 10(-3)) and visual field (P < 10(-7)). Discordance between visual acuity and visual field in individual patients suggests the existence of at least two non-ABCA4 modifying factors. The findings of this study will facilitate the discovery of factors that modify ABCA4 disease and will also aid in the optimal selection of subjects for clinical trials of new therapies.

  13. Renner-Teller quantum dynamics of NH(a(1)Delta) + H reactions on the NH(2) A(2)A(1) and X(2)B(1) coupled surfaces.

    PubMed

    Defazio, P; Gamallo, P; González, M; Petrongolo, C

    2010-09-16

    Four reactions NH(a1Delta) + H′(2S) are investigated by the quantum mechanical real wavepacket method, taking into account nonadiabatic Renner-Teller (RT) and rovibronic Coriolis couplings between the involved states. We consider depletion (d) to N(2D) + H2(X1Sigmag+), exchange (e) to NH′(a1Delta) + H(2S), quenching (q) to NH(X3Sigma-) + H′(2S), and exchange-quenching (eq) to NH′(X3Sigma-) + H(2S). We extend our RT theory to a general AB + C collision using a geometry-dependent but very simple and empirical RT matrix element. Reaction probabilities, cross sections, and rate constants are presented, and RT results are compared with Born-Oppenheimer (BO), experimental, and semiclassical data. The nonadiabatic couplings open two new channels, (q) and (eq), and increase the (d) and (e) reactivity with respect to the BO one, when NH(a1Delta) is rotationally excited. In this case, the quantum cross sections are larger than the semiclassical ones at low collision energies. The calculated rate constants at 300 K are k(d) = 3.06, k(e) = 3.32, k(q) = 1.44, and k(eq) = 1.70 in 10(-11) cm3 s(-1) compared with the measured values k(d) = (3.2 =/- 1.7), k(q + eq) = (1.7 +/- 0.3), and k(total) = (4.8 +/- 1.7). The theoretical depletion rate is thus in good agreement with the experimental value, but the quenching and total rates are overestimated, because the present RT couplings are too large. This discrepancy is probably due to our simple and empirical RT matrix element.

  14. Modulation of Jahn-Teller effect on magnetization and spontaneous electric polarization of CuFeO2

    NASA Astrophysics Data System (ADS)

    Xiao, Guiling; Xia, Zhengcai; Wei, Meng; Huang, Sha; Shi, Liran; Zhang, Xiaoxing; Wu, Huan; Yang, Feng; Song, Yujie; Ouyang, Zhongwen

    2018-03-01

    CuFe0.99Mn0.01O2 and CuFe0.99Co0.01O2 single crystal samples are grown by a floating zone technique and their magnetization and spontaneous electric polarization have been investigated. Similarly with pure CuFeO2, an obviously anisotropic magnetization and spontaneous electric polarization were observed in the both doped samples, and their phase transition critical fields and temperatures are directly doping ion dependent. Considering the different d-shell configuration and ionic size between Mn3+, Co3+ and Fe3+ ions, in which the Mn3+ ion with Jahn-Teller (J-T) effect has different distortion on the geometry frustration from both of Fe3+ and Co3+ ion. Since for Mn3+ ion, the orbital splitting results from the low-symmetry J-T distortion in a crystal-field environment leads to a distorted MnO6 octahedron, which different from undistorted FeO6 and CoO6 octahedrons. The strain between distorted and undistorted octahedrons produces different effects on the spin reorientation transition and spontaneous electric polarization. Although the pure CuFeO2 has a very strong and robust frustration, the presence of the strain due to the random distribution of distorted MnO6 octahedron and undistorted CoO6 (FeO6) octahedrons leads to its spin reorientation transitions and spontaneous electric polarization different from CuFeO2.

  15. Modified automatic teller machine prototype for older adults: a case study of participative approach to inclusive design.

    PubMed

    Chan, Chetwyn C H; Wong, Alex W K; Lee, Tatia M C; Chi, Iris

    2009-03-01

    The goal of this study was to enhance an existing automated teller machine (ATM) human-machine interface in order to accommodate the needs of older adults. Older adults were involved in the design and field test of the modified ATM prototype. The design of the user interface and functionality took the cognitive and physical abilities of older adults into account. The modified ATM system included only "cash withdrawal" and "transfer" functions based on the task demands and needs for services of older adults. One hundred and forty-one older adults (aged 60 or above) participated in the field test by operating modified or existing ATM systems. Those who operated the modified system were found to have significantly higher success rates than those who operated the existing system. The enhancement was most significant among older adults who had lower ATM-related abilities, a lower level of education, and no prior experience of using ATMs. This study demonstrates the usefulness of using a universal design and participatory approach to modify the existing ATM system for use by older adults. However, it also leads to a reduction in functionality of the enhanced system. Future studies should explore ways to develop a universal design ATM system which can satisfy the abilities and needs of all users in the entire population.

  16. Electronic and magnetic structures of Fe3O4 ferrimagnetic investigated by first principle, mean field and series expansions calculations

    NASA Astrophysics Data System (ADS)

    Masrour, R.; Hlil, E. K.; Hamedoun, M.; Benyoussef, A.; Mounkachi, O.; El Moussaoui, H.

    2015-03-01

    Self-consistent ab initio calculations, based on density functional theory (DFT) approach and using a full potential linear augmented plane wave (FLAPW) method, are performed to investigate both electronic and magnetic properties of the Fe3O4. Polarized spin and spin-orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Fe plans. Magnetic moment considered to lie along (010) axes are computed. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The exchange interactions between the magnetic atoms Fe-Fe in Fe3O4 are given using the mean field theory. The high temperature series expansions (HTSEs) of the magnetic susceptibility of with the magnetic moments, mFe in Fe3O4 is given up to seventh order series in (1/kBT). The Néel temperature TN is obtained by HTSEs of the magnetic susceptibility series combined with the Padé approximant method. The critical exponent γ associated with the magnetic susceptibility is deduced as well.

  17. The ab initio Calculation of Electric Field Gradient at the Site of P Impurity in α-Al3O2

    NASA Astrophysics Data System (ADS)

    Zhang, Qiao-Li; Yuan, Da-Qing; Zhang, Huan-Qiao; Fan, Ping; Zuo, Yi; Zheng, Yong-Nan; Masuta, K.; Fukuda, M.; Mihara, M.; Minamisono, T.; Kitagawa, A.; Zhu, Sheng-Yun

    2012-09-01

    An ab initio calculation of the electric-field gradient (EFG) at the site of a phosphorous impurity substituting an Al atom in α-Al2O3 is carried out using the WIEN2k code with the full-potential linearized augmented plane wave plus local orbital method (LAPW+lo) in the frame of density functional theory. The atomic lattice relaxations caused by the implanted impurities were calculated for two different charged states to well describe the electronic structure of the doped system. The EFG at the site of the phosphorous impurity in the charged supercell calculated with the exchange-correlation potential of the Wu-Cohen generalized gradient approximation (WC-GGA) is 0.573 × 1021 V/m2. Then, the nuclear quadrupole moment of the I = 3 state in 28P is deduced to be 137 mb from the quadrupole interaction frequency of 190 kHz measured recently by the β-NQR method.

  18. Monte Carlo calculation of dose rate conversion factors for external exposure to photon emitters in soil

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

    Clovas, A.; Zanthos, S.; Antonopoulos-Domis, M.

    2000-03-01

    The dose rate conversion factors {dot D}{sub CF} (absorbed dose rate in air per unit activity per unit of soil mass, nGy h{sup {minus}1} per Bq kg{sup {minus}1}) are calculated 1 m above ground for photon emitters of natural radionuclides uniformly distributed in the soil. Three Monte Carlo codes are used: (1) The MCNP code of Los Alamos; (2) The GEANT code of CERN; and (3) a Monte Carlo code developed in the Nuclear Technology Laboratory of the Aristotle University of Thessaloniki. The accuracy of the Monte Carlo results is tested by the comparison of the unscattered flux obtained bymore » the three Monte Carlo codes with an independent straightforward calculation. All codes and particularly the MCNP calculate accurately the absorbed dose rate in air due to the unscattered radiation. For the total radiation (unscattered plus scattered) the {dot D}{sub CF} values calculated from the three codes are in very good agreement between them. The comparison between these results and the results deduced previously by other authors indicates a good agreement (less than 15% of difference) for photon energies above 1,500 keV. Antithetically, the agreement is not as good (difference of 20--30%) for the low energy photons.« less

  19. The Seismic risk perception in Italy deduced by a statistical sample

    NASA Astrophysics Data System (ADS)

    Crescimbene, Massimo; La Longa, Federica; Camassi, Romano; Pino, Nicola Alessandro; Pessina, Vera; Peruzza, Laura; Cerbara, Loredana; Crescimbene, Cristiana

    2015-04-01

    In 2014 EGU Assembly we presented the results of a web a survey on the perception of seismic risk in Italy. The data were derived from over 8,500 questionnaires coming from all Italian regions. Our questionnaire was built by using the semantic differential method (Osgood et al. 1957) with a seven points Likert scale. The questionnaire is inspired the main theoretical approaches of risk perception (psychometric paradigm, cultural theory, etc.) .The results were promising and seem to clearly indicate an underestimation of seismic risk by the italian population. Based on these promising results, the DPC has funded our research for the second year. In 2015 EGU Assembly we present the results of a new survey deduced by an italian statistical sample. The importance of statistical significance at national scale was also suggested by ISTAT (Italian Statistic Institute), considering the study as of national interest, accepted the "project on the perception of seismic risk" as a pilot study inside the National Statistical System (SISTAN), encouraging our RU to proceed in this direction. The survey was conducted by a company specialised in population surveys using the CATI method (computer assisted telephone interview). Preliminary results will be discussed. The statistical support was provided by the research partner CNR-IRPPS. This research is funded by Italian Civil Protection Department (DPC).

  20. Yura-George's world line

    NASA Astrophysics Data System (ADS)

    Gamov, I. L.

    It is quite interesting and flattering for an economist to publish a paper in such a prominent astronomical journal. And taking into account the fact that the author is a relative of the great cosmologist of the 20th century does not diminish but, vice versa, increases the piquancy of the appearance of this article. You may agree, dear readers, that it is fairly difficult to avoid a temptation of addressing you on behalf of numerous admirers of George Gamow's talent, as well as of supporters of the Gamow Foundation of Moldova. Frankly speaking, I cannot get rid of a feeling that George Gamow himself, through some genetic "channels" known to him alone, is pushing me to tell about him, for he was famous for all kinds of tricks.

  1. Martian low-altitude magnetic topology deduced from MAVEN/SWEA observations

    NASA Astrophysics Data System (ADS)

    Xu, Shaosui; Mitchell, David; Liemohn, Michael; Fang, Xiaohua; Ma, Yingjuan; Luhmann, Janet; Brain, David; Steckiewicz, Morgane; Mazelle, Christian; Connerney, Jack; Jakosky, Bruce

    2017-02-01

    The Mars Atmosphere and Volatile Evolution mission has obtained comprehensive particle and magnetic field measurements. The Solar Wind Electron Analyzer provides electron energy-pitch angle distributions along the spacecraft trajectory that can be used to infer magnetic topology. This study presents pitch angle-resolved electron energy shape parameters that can distinguish photoelectrons from solar wind electrons, which we use to deduce the Martian magnetic topology and connectivity to the dayside ionosphere. Magnetic topology in the Mars environment is mapped in three dimensions for the first time. At low altitudes (<400 km) in sunlight, the northern hemisphere is found to be dominated by closed field lines (both ends intersecting the collisional atmosphere), with more day-night connections through cross-terminator closed field lines than in the south. Although draped field lines with 100 km amplitude vertical fluctuations that intersect the electron exobase ( 160-220 km) in two locations could appear to be closed at the spacecraft, a more likely explanation is provided by crustal magnetic fields, which naturally have the required geometry. Around 30% of the time, we observe open field lines from 200 to 400 km, which implies three distinct topological layers over the northern hemisphere: closed field lines below 200 km, open field lines with foot points at lower latitudes that pass over the northern hemisphere from 200 to 400 km, and draped interplanetary magnetic field above 400 km. This study also identifies open field lines with one end attached to the dayside ionosphere and the other end connected with the solar wind, providing a path for ion outflow.

  2. Proton-decay spectroscopic studies of the exotic nuclides aluminum-23, silicon-23, aluminum-22 and rubidium-77

    NASA Astrophysics Data System (ADS)

    Rowe, Michael William

    Aluminum-23 was produced by 40 MeV 3He2+ bombardments of Mg targets in four experiments at the LBNL 88' ' Cyclotron. Reaction products were transported via helium-jet to a detection chamber where they were counted using two low-energy particle-identification (PI) telescopes. New proton groups were observed with laboratory energies (and intensities relative to the known peak at 838 +/- 5 keV) of 246 20 (33 +/- 3%) and 556 +/- 5 keV (68 +/- 5%), respectively. Several possible decay assignments are discussed for the former group. The possibility that it originates from the decay through the isobaric analog state (IAS) and corresponding implications for isospin mixing and the proton-capture resonance strength are discussed. The Gamow-Teller strength function has been deduced from these and several weaker proton transitions; the results are compared with theoretical predictions. Silicon-23 and 22Al were produced in a 110 MeV 3He2+ bombardment of a 24Mg target; reaction products were transported via helium jet and observed by two PI telescopes with proton sensitivity from 0-35-12.5 MeV. Three weak proton peaks at 7673 +/- 33, 9642 +/- 57 and 10861 +/- 68 keV have been tentatively assigned to the beta-delayed proton decay of 23Si through its IAS. From these results, the estimated 23Si mass excess is 23.25 +/- 0.05 MeV. Beta-delayed two-proton sum peaks were observed at 4478 +/- 15 and 6111 +/- 15 keV (c.m.), in agreement with earlier work an the decay of 22Al at wide relative-emission angles. The energies of several weaker two-proton sum peaks were compared with predicted and experimental values for the β-2p decay of 23Si. A search for proton emission from a predicted 19/2- isomer of 77Rb has been performed in three bombardments of Ca targets by 40Ca beams at energies of 145,160 and 132 MeV. Products of the first two bombardments were transported via helium jet and observed by two PI telescopes. In the third bombardment, the mass separator RAMA transported mass-77

  3. Proton-decay spectroscopic studies of the exotic nuclides aluminum-23, silicon-23, aluminum-22 and rubidium-77

    NASA Astrophysics Data System (ADS)

    Rowe, Michael William

    1998-09-01

    Aluminum-23 was produced by 40 MeV 3He2+ bombardments of Mg targets in four experiments at the LBNL 88' ' Cyclotron. Reaction products were transported via helium-jet to a detection chamber where they were counted using two low-energy particle-identification (PI) telescopes. New proton groups were observed with laboratory energies (and intensities relative to the known peak at 838 +/- 5 keV) of 246 20 (33 +/- 3%) and 556 +/- 5 keV (68 +/- 5%), respectively. Several possible decay assignments are discussed for the former group. The possibility that it originates from the decay through the isobaric analog state (IAS) and corresponding implications for isospin mixing and the proton-capture resonance strength are discussed. The Gamow-Teller strength function has been deduced from these and several weaker proton transitions; the results are compared with theoretical predictions. Silicon-23 and 22Al were produced in a 110 MeV 3He2+ bombardment of a 24Mg target; reaction products were transported via helium jet and observed by two PI telescopes with proton sensitivity from 0-35-12.5 MeV. Three weak proton peaks at 7673 +/- 33, 9642 +/- 57 and 10861 +/- 68 keV have been tentatively assigned to the beta-delayed proton decay of 23Si through its IAS. From these results, the estimated 23Si mass excess is 23.25 +/- 0.05 MeV. Beta-delayed two-proton sum peaks were observed at 4478 +/- 15 and 6111 +/- 15 keV (c.m.), in agreement with earlier work an the decay of 22Al at wide relative-emission angles. The energies of several weaker two-proton sum peaks were compared with predicted and experimental values for the β-2p decay of 23Si. A search for proton emission from a predicted 19/2- isomer of 77Rb has been performed in three bombardments of Ca targets by 40Ca beams at energies of 145,160 and 132 MeV. Products of the first two bombardments were transported via helium jet and observed by two PI telescopes. In the third bombardment, the mass separator RAMA transported mass-77

  4. Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation

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

    Bernardo, Reginald Christian S., E-mail: rcbernardo@nip.upd.edu.ph; Esguerra, Jose Perico H., E-mail: jesguerra@nip.upd.edu.ph

    2016-10-15

    The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-ordermore » differential equation with constant coefficients. For the harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl–Teller and Gaussian wells.« less

  5. Behaviour of the Pleistocene marsupial lion deduced from claw marks in a southwestern Australian cave.

    PubMed

    Arman, Samuel D; Prideaux, Gavin J

    2016-02-15

    The marsupial lion, Thylacoleo carnifex, was the largest-ever marsupial carnivore, and is one of the most iconic extinct Australian vertebrates. With a highly-specialised dentition, powerful forelimbs and a robust build, its overall morphology is not approached by any other mammal. However, despite >150 years of attention, fundamental aspects of its biology remain unresolved. Here we analyse an assemblage of claw marks preserved on surfaces in a cave and deduce that they were generated by marsupial lions. The distribution and skewed size range of claw marks within the cave elucidate two key aspects of marsupial lion biology: they were excellent climbers and reared young in caves. Scrutiny of >10,000 co-located Pleistocene bones reveals few if any marsupial lion tooth marks, which dovetails with the morphology-based interpretation of the species as a flesh specialist.

  6. Absolute cross sections of the 86Sr(α,n)89Zr reaction at energies of astrophysical interest

    NASA Astrophysics Data System (ADS)

    Oprea, Andreea; Glodariu, Tudor; Filipescu, Dan; Gheorghe, Ioana; Mitu, Andreea; Boromiza, Marian; Bucurescu, Dorel; Costache, Cristian; Cata-Danil, Irina; Florea, Nicoleta; Ghita, Dan Gabriel; Ionescu, Alina; Marginean, Nicolae; Marginean, Raluca; Mihai, Constantin; Mihai, Radu; Negret, Alexandru; Nita, Cristina; Olacel, Adina; Pascu, Sorin; Sotty, Cristophe; Suvaila, Rares; Stan, Lucian; Stroe, Lucian; Serban, Andreea; Stiru, Irina; Toma, Sebastian; Turturica, Andrei; Ujeniuc, Sorin

    2017-09-01

    Absolute cross sections for the 86Sr(α,n)89Zr reaction at energies close to the Gamow window are reported. Three thin SrF2 targets were irradiated using the 9 MV Tandem facility in IFIN-HH Bucharest that delivered α beams for the activation process. Two high-purity Germanium detectors were used to measure the induced activity of 89Zr in a low background environment. The experimental results are in very good agreement with Hauser-Feshbach statistical model calculations performed with the TALYS code.

  7. a Zero-Order Picture of the Infrared Spectrum for the Methoxy Radical: Assignment of States

    NASA Astrophysics Data System (ADS)

    Johnson, Britta; Sibert, Edwin

    2016-06-01

    The ground tilde{X}^2E vibrations of the methoxy radical have intrigued both experimentalists and theorists alike due to the presence of a conical intersection at the C3v molecular geometry. This conical intersection causes methoxy's vibrational spectrum to be strongly influenced by Jahn-Teller vibronic coupling which leads to large amplitude vibrations and extensive mixing of the two lowest electronic states. This coupling combined with spin-orbit and Fermi couplings greatly complicates the assignments of states. Using the potential force field and calculated spectra of Nagesh and Sibert1,2, we assign quantum numbers to the infrared spectrum. When the zero-order states are the diabatic normal mode states, there is sufficient mode mixing that the normal mode quantum numbers are poor labels for the final states. We define a series of zero-order Hamiltonians which include additional coupling elements beyond the normal mode picture but still allow for the assignment of Jahn-Teller quantum numbers. In methoxy, the two lowest frequency e} modes, the bend (q_5) and the rock (q_6), are the modes with the strongest Jahn-Teller coupling. In general, a zero-order Hamiltonian which includes first-order Jahn-Teller coupling in q_6 is sufficient for most states of interest. Working in a representation which includes first-order Jahn-Teller coupling in q_6, we identify states in which additional coupling elements must be included; these couplings include first-order Jahn-Teller coupling in q_5, higher order Jahn-Teller coupling in q_5 and q_6, and, in the dueterated case, Jahn-Teller coupling which is modulated by the corresponding a modes. [^1] Nagesh, J.; Sibert, E. L. J. Phys. Chem. A 2012, 116, 3846-3855. Lee, Y.F.; Chou, W.T.; Johnson, B.A.; Tabor, D.P. ; Sibert, E.L.; Lee, Y.P. J. Mol. Spectrosc. 2015, 310, 57-67. Barckholtz, T. A.; Miller, T. A. Int. Revs. in Phys. Chem. 1998, 17, 435-524.

  8. Theory of optical transitions in π-conjugated macrocycles

    NASA Astrophysics Data System (ADS)

    Marcus, Max; Coonjobeeharry, Jaymee; Barford, William

    2016-04-01

    We describe a theoretical and computational investigation of the optical properties of π-conjugated macrocycles. Since the low-energy excitations of these systems are Frenkel excitons that couple to high-frequency dispersionless phonons, we employ the quantized Frenkel-Holstein model and solve it via the density matrix renormalization group (DMRG) method. First we consider optical emission from perfectly circular systems. Owing to optical selection rules, such systems radiate via two mechanisms: (i) within the Condon approximation, by thermally induced emission from the optically allowed j = ± 1 states and (ii) beyond the Condon approximation, by emission from the j = 0 state via coupling with a totally non-symmetric phonon (namely, the Herzberg-Teller effect). Using perturbation theory, we derive an expression for the Herzberg-Teller correction and show via DMRG calculations that this expression soon fails as ħ ω/J and the size of the macrocycle increase. Next, we consider the role of broken symmetry caused by torsional disorder. In this case the quantum number j no longer labels eigenstates of angular momentum, but instead labels localized local exciton groundstates (LEGSs) or quasi-extended states (QEESs). As for linear polymers, LEGSs define chromophores, with the higher energy QEESs being extended over numerous LEGSs. Within the Condon approximation (i.e., neglecting the Herzberg-Teller correction) we show that increased disorder increases the emissive optical intensity, because all the LEGSs are optically active. We next consider the combined role of broken symmetry and curvature, by explicitly evaluating the Herzberg-Teller correction in disordered systems via the DMRG method. The Herzberg-Teller correction is most evident in the emission intensity ratio, I00/I01. In the Condon approximation I00/I01 is a constant function of curvature, whereas in practice it vanishes for closed rings and only approaches a constant in the limit of vanishing curvature. We

  9. Phase Separation and d Electronic Orbitals on Cyclic Degradation in Li-Mn-O Compounds: First-Principles Multiscale Modeling and Experimental Observations.

    PubMed

    Kim, Duho; Lim, Jin-Myoung; Park, Min-Sik; Cho, Kyeongjae; Cho, Maenghyo

    2016-07-06

    A combined study involving experiments and multiscale computational approaches is conducted to propose a theoretical solution for the suppression of the Jahn-Teller distortion which causes severe cyclic degradation. As-synthesized pristine and Al-doped Mn spinel compounds are the focus to understand the mechanism of the cyclic degradation in terms of the Jahn-Teller distortion, and the electrochemical performance of the Al-doped sample shows enhanced cyclic performance compared with that of the pristine one. Considering the electronic structures of the two systems using first-principles calculations, the pristine spinel suffers entirely from the Jahn-Teller distortion by Mn(3+), indicating an anisotropic electronic structure, but the Al-doped spinel exhibits an isotropic electronic structure, which means the suppressed Jahn-Teller distortion. A multiscale phase field model in nanodomain shows that the phase separation of the pristine spinel occurs to inactive Li0Mn2O4 (i.e., fully delithiated) gradually during cycles. In contrast, the Al-doped spinel does not show phase separation to an inactive phase. This explains why the Al-doped spinel maintains the capacity of the first charge during the subsequent cycles. On the basis of the mechanistic understanding of the origins and mechanism of the suppression of the Jahn-Teller distortion, fundamental insight for making tremendous cuts in the cyclic degradation could be provided for the Li-Mn-O compounds of Li-ion batteries.

  10. Pseudopotential SCF-MO studies of hypervalent compounds. II. XeF+5 and XeF6

    NASA Astrophysics Data System (ADS)

    Rothman, Michael J.; Bartell, Lawrence S.; Ewig, Carl S.; Van Wazer, John R.

    1980-07-01

    New evidence bearing upon the anomalous properties of xenon hexafluoride has been obtained via the ab initio molecular orbital approach applied successfully to the di- and tetrafluorides in paper I. Structures of both XeF+5 and XeF6 are governed by a stereochemically active lone pair. In the case of the square-pyramidal cation the Fax-Xe-Feq angle calculated for the bare ion is within 2° of the value observed in the crystalline complex. For the hexafluoride, however, the calculated deformation from Oh symmetry is appreciably greater than that deduced from electron diffraction intensities. Nevertheless, the results of calculations are in sufficient conformity with the Bartell-Gavin, Pitzer-Bernstein interpretation and at variance with the ''electronic-isomers'' interpretation to leave little doubt about the answer. With increasing fluorination in the XeFn series the HOMO-LUMO energy difference decreases and the second-order Jahn-Teller effect is enhanced. Increasing fluorination (and increased positive charge on Xe) also shortens bond lengths; calculated shortenings parallel observed shortenings. The deformation of XeF6 from Oh is along t1u bend and stretch coordinates to a C3v structure with long bonds adjacent to the lone pair, as expected according to the valence-shell-electron-pair-repulsion model. Pure t2g deformations are destabilizing but anharmonic t1u-t2g coupling significantly stabilizes the deformation. Steric aspects of the structure and force field are diagnosed and found to be minor. Values for the force constants f44, f55, f¯4444, f¯444'4', and f¯445 are derived and found to be of the magnitude forecast in the Bartell-Gavin and Pitzer-Bernstein treatments except that the calculations do not reproduce the delicate balances believed to lead to almost free pseudorotation in XeF6.

  11. Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics of O((3)P) + H2(+)(X(2)Σg(+)) collisions.

    PubMed

    Gamallo, Pablo; Defazio, Paolo; González, Miguel; Paniagua, Miguel; Petrongolo, Carlo

    2015-09-28

    We present Born-Oppenheimer (BO) and Renner-Teller (RT) time dependent quantum dynamics studies of the reactions O((3)P) + H2(+)(X(2)Σg(+)) → OH(+)(X(3)Σ(-)) + H((2)S) and OH(X(2)Π) + H(+). We consider the OH2(+) X[combining tilde](2)A'' and Ã(2)A' electronic states that correlate with a linear (2)Π species. The electronic angular momenta operators L[combining circumflex] and L[combining circumflex](2) are considered in nonadiabatic coupled-channel calculations, where the associated RT effects are due to diagonal V(RT) potentials that add up to the PESs and to off-diagonal C(RT) couplings between the potential energy surfaces (PESs). Initial-state-resolved reaction probabilities PI, integral cross sections σI, and rate constants kI are obtained using recent ab initio PESs and couplings and the real wavepacket formalism. Because the PESs are strongly attractive, PI have no threshold energy and are large, σI decrease with collision energy, and kI depend little on the temperature. The X[combining tilde](2)A'' PES is up to three times more reactive than the Ã(2)A' PES and H2(+) rotational effects (j0 = 0, 1) are negligible. The diagonal V(RT) potentials are strongly repulsive at the collinearity and nearly halve all low-energy observables with respect to the BO ones. The off-diagonal C(RT) couplings are important at low partial waves, where they mix the X[combining tilde](2)A'' and Ã(2)A' states up to ∼20%. However, V(RT) effects predominate over the C(RT) ones that change at most by ∼19% the BO values of σI and kI. The reaction O((3)P) + H2(+)(X(2)Σg(+)) → OH(+)(X(3)Σ(-)) + H((2)S) is probably one of the most reactive atom + diatom collisions because its RT rate constant at room temperature is equal to 2.26 × 10(-10) cm(3) s(-1). Within the BO approximation, the present results agree rather well with recent quasiclassical and centrifugal-sudden data using the same PESs.

  12. High-precision branching-ratio measurement for the superallowed β+ emitter 74Rb

    NASA Astrophysics Data System (ADS)

    Dunlop, R.; Ball, G. C.; Leslie, J. R.; Svensson, C. E.; Towner, I. S.; Andreoiu, C.; Chagnon-Lessard, S.; Chester, A.; Cross, D. S.; Finlay, P.; Garnsworthy, A. B.; Garrett, P. E.; Glister, J.; Hackman, G.; Hadinia, B.; Leach, K. G.; Rand, E. T.; Starosta, K.; Tardiff, E. R.; Triambak, S.; Williams, S. J.; Wong, J.; Yates, S. W.; Zganjar, E. F.

    2013-10-01

    A high-precision branching-ratio measurement for the superallowed β+ decay of 74Rb was performed at the TRIUMF Isotope Separator and Accelerator (ISAC) radioactive ion-beam facility. The scintillating electron-positron tagging array (SCEPTAR), composed of 10 thin plastic scintillators, was used to detect the emitted β particles; the 8π spectrometer, an array of 20 Compton-suppressed HPGe detectors, was used for detecting γ rays that were emitted following Gamow-Teller and nonanalog Fermi β+ decays of 74Rb; and the Pentagonal Array of Conversion Electron Spectrometers (PACES), an array of 5 Si(Li) detectors, was employed for measuring β-delayed conversion electrons. Twenty-three excited states were identified in 74Kr following 8.241(4)×108 detected 74Rb β decays. A total of 58 γ-ray and electron transitions were placed in the decay scheme, allowing the superallowed branching ratio to be determined as B0=99.545(31)%. Combined with previous half-life and Q-value measurements, the superallowed branching ratio measured in this work leads to a superallowed ft value of 3082.8(65) s. Comparisons between this superallowed ft value and the world-average-corrected Ft¯ value, as well as the nonanalog Fermi branching ratios determined in this work, provide guidance for theoretical models of the isospin-symmetry-breaking corrections in this mass region.

  13. Overview of the Calcium-45 Beta Spectrum Measurement at Los Alamos National Laboratory

    NASA Astrophysics Data System (ADS)

    Royse, Camen; Nab/UNCB Teams Collaboration

    2017-09-01

    One smoking gun of BSM physics would be the observation of a non-zero Fierz interference term, a feature in the beta spectrum produced by scalar and tensor couplings. Calcium-45 is an almost ideal candidate with which to search for a Fierz term. It is a pure beta emitter with a low endpoint of 256 keV and a simple decay scheme, with a 7 / 2 - -> 7 / 2 - g.s. to g.s. branching ratio of 99.9981(11)%. Isospin selection rules ensure the decay is greater than about 98.5% pure Gamow-Teller and the integrated effect of the weak magnetism over the entire spectrum is expected to be only 0.13%. An experiment designed to precisely measure the beta spectrum of Ca-45 has been run over the past two summers at Los Alamos National Laboratory. The experiment is composed of a 4 π-capture magnetic spectrometer between two segmented arrays of hexagonal silicon detectors (similar to the Nab experiment), a helium gas cooling system, front end electronics and amplifiers, and a data acquisition system which synchronizes the timing from the signals coming from both detector arrays. Data is analyzed to account for the pile-up of signals and other physical and calibration factors. An overview of the design and execution of the experiment as divided into the above topics will be presented.

  14. Double-β decay within a consistent deformed approach

    NASA Astrophysics Data System (ADS)

    Delion, D. S.; Suhonen, J.

    2015-05-01

    In this paper we present a timely application of the proton-neutron deformed quasiparticle random-phase approximation (p n -dQRPA), designed to describe in a consistent way the 1+ Gamow-Teller states in odd-odd deformed nuclei. For this purpose we apply a projection before variation procedure by using a single-particle basis with projected angular momentum, provided by the diagonalization of a spherical mean field plus quadrupole-quadrupole interaction. The residual Hamiltonian contains pairing plus proton-neutron dipole terms in particle-hole and particle-particle channels, with constant strengths. As an example we describe the two-neutrino double-beta (2 ν β β ) decay of 150Nd to the ground state of 150Sm. The experimental (p ,n ) type of strength in 150Nd and the (n ,p ) type of strength in 150Sm are reasonably reproduced and the 2 ν β β decay matrix element depicts a strong dependence upon the particle-particle strength gp p. The experimental half-life is reproduced for gp p=0.05 . It turns out that the measured half-lives for 2 ν β β transitions between other deformed superfluid partners with mass numbers A =82 ,96,100,128,130,238 are reproduced with fairly good accuracy by using this value of gp p.

  15. Multiconfiguration Self-Consistent Field Study on Formonitrile Imine and N-Substituted Nitrile Imines HCN2-R: Energy Component Analysis of the Pseudo-Jahn-Teller Effect.

    PubMed

    Toyota, Azumao; Muramatsu, Takashi; Koseki, Shiro

    2017-03-23

    Stable geometrical structures for formonitrile imine (1) and N-substituted nitrile imines HCN 2 -R (R = Li, BeH, BH 2 , CH 3 , CN, CCH, C 6 H 5 , NH 2 , OH, and F) (2-11) were examined by using the multiconfiguration self-consistent-field (MCSCF) method followed by second-order configuration interaction (SOCI) calculations and second-order multiconfiguration quasi-degenerate perturbation theory (MCQDPT2) calculations, together with the aug-cc-pVTZ basis sets. The results show that 1 suffers a pseudo-Jahn-Teller (JT) distortion from a linear C ∞v structure to a C 1 structure via a planar bent C s structure. Each of the others is found to undergo pseudo-JT distortion from a symmetrical structure to a planar bent C s structure for 2, 3, and 7 and to a C 1 structure for 4, 5, 6, 8, 9, 10, and 11. At the stationary structures of 1-11, the structural characteristics were briefly discussed in terms of allenic and propargylic. To elucidate the nature of pseudo-JT distortions, energy component analyses were carried out at the MCSCF+SOCI level of theory at all of the stationary structures for the relevant molecules. In most of the molecules examined, pseudo-JT stabilizations were classified into two groups, one in which the stability arises from a lowering of the energy of the attractive term V en and the other in which the stability results from a lowering of the energy of the repulsive terms V nn and V ee . In addition to the above two groups, it was also found that the following three groups are responsible for the pseudo-JT stabilizations in a certain stage of the structural changes. Namely, one is a lowering of the energy of the term V ee observed in 6, another is a lowering of the energy of the terms V ee and V en observed in 9-11, and the other is a lowering of the energy of the terms V en and V nn observed in 10. These energetic behaviors were accounted in terms of an elongation or a contraction of the molecular skeleton, a migration of electrons from one part of

  16. Structure and Magnetic Properties in Ruthenium-Based Full-Heusler Alloys: AB INITIO Calculations

    NASA Astrophysics Data System (ADS)

    Bahlouli, S.; Aarizou, Z.; Elchikh, M.

    2013-12-01

    In this paper, we present ab initio calculations within density functional theory (DFT) to investigate structure, electronic and magnetic properties of Ru2CrZ (Z = Si, Ge and Sn) full-Heusler alloys. We have used the developed full-potential linearized muffin tin orbitals (FP-LMTO) based on the local spin density approximation (LSDA) with the PLane Wave expansion (PLW). In particular, we found that these Ruthenium-based Heusler alloys have the antiferromagnetic (AFM) type II as ground state. Then, we studied and discussed the magnetic properties belonging to our different magnetic structures: AFM type II, AFM type I and ferromagnetic (FM) phase. We also found that Ru2CrSi and Ru2CrGe exhibit a semiconducting behavior whereas Ru2CrSn has a semimetallic-like behavior as it is experimentally found. We made an estimation of Néel temperatures (TN) in the framework of the mean-field theory and used the energy differences approach to deduce the relevant short-range nearest-neighbor (J1) and next-nearest-neighbor (J2) interactions. The calculated TN are somewhat overestimated to the available experimental ones.

  17. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

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

    Belyaev, Andrey K., E-mail: belyaev@herzen.spb.ru; Domcke, Wolfgang, E-mail: wolfgang.domcke@ch.tum.de; Lasser, Caroline, E-mail: classer@ma.tum.de

    The Landau–Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation. The algorithm employs a recently proposed formula for nonadiabatic LZ transition probabilities derived from the adiabatic potential energy surfaces. The evolution of the populations of the ground state and the two lowest excited adiabatic states is calculated up to 200 fs. The results agree well with quantum simulations available for the first 100 fs based on the same potential energy surfaces. Three different time scales are detected formore » the nuclear dynamics: Ultrafast Jahn–Teller dynamics between the excited states on a 5 fs time scale; fast transitions between the excited state and the ground state within a time scale of 20 fs; and relatively slow partial conversion of a first-excited-state population to the ground state within a time scale of 100 fs. Beyond 100 fs, the adiabatic electronic populations are nearly constant due to a dynamic equilibrium between the three states. The ultrafast nonradiative decay of the excited-state populations provides a qualitative explanation of the experimental evidence that the ammonia cation is nonfluorescent.« less

  18. The mutual inductance calculation between circular and quadrilateral coils at arbitrary attitudes using a rotation matrix for airborne transient electromagnetic systems

    NASA Astrophysics Data System (ADS)

    Ji, Yanju; Wang, Hongyuan; Lin, Jun; Guan, Shanshan; Feng, Xue; Li, Suyi

    2014-12-01

    Performance testing and calibration of airborne transient electromagnetic (ATEM) systems are conducted to obtain the electromagnetic response of ground loops. It is necessary to accurately calculate the mutual inductance between transmitting coils, receiving coils and ground loops to compute the electromagnetic responses. Therefore, based on Neumann's formula and the measured attitudes of the coils, this study deduces the formula for the mutual inductance calculation between circular and quadrilateral coils, circular and circular coils, and quadrilateral and quadrilateral coils using a rotation matrix, and then proposes a method to calculate the mutual inductance between two coils at arbitrary attitudes (roll, pitch, and yaw). Using coil attitude simulated data of an ATEM system, we calculate the mutual inductance of transmitting coils and ground loops at different attitudes, analyze the impact of coil attitudes on mutual inductance, and compare the computational accuracy and speed of the proposed method with those of other methods using the same data. The results show that the relative error of the calculation is smaller and that the speed-up is significant compared to other methods. Moreover, the proposed method is also applicable to the mutual inductance calculation of polygonal and circular coils at arbitrary attitudes and is highly expandable.

  19. Epitopes of human testis-specific lactate dehydrogenase deduced from a cDNA sequence

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

    Millan, J.L.; Driscoll, C.E.; LeVan, K.M.

    The sequence and structure of human testis-specific L-lactate dehydrogenase (LDHC/sub 4/, LDHX; (L)-lactate:NAD/sup +/ oxidoreductase, EC 1.1.1.27) has been derived from analysis of a complementary DNA (cDNA) clone comprising the complete protein coding region of the enzyme. From the deduced amino acid sequence, human LDHC/sub 4/ is as different from rodent LDHC/sub 4/ (73% homology) as it is from human LDHA/sub 4/ (76% homology) and porcine LDHB/sub 4/ (68% homology). Subunit homologies are consistent with the conclusion that the LDHC gene arose by at least two independent duplication events. Furthermore, the lower degree of homology between mouse and human LDHC/submore » 4/ and the appearance of this isozyme late in evolution suggests a higher rate of mutation in the mammalian LDHC genes than in the LDHA and -B genes. Comparison of exposed amino acid residues of discrete anti-genic determinants of mouse and human LDHC/sub 4/ reveals significant differences. Knowledge of the human LDHC/sub 4/ sequence will help design human-specific peptides useful in the development of a contraceptive vaccine.« less

  20. Regulation and Characterization of a Newly Deduced Cell Wall Hydrolase Gene (cwlJ) Which Affects Germination of Bacillus subtilis Spores

    PubMed Central

    Ishikawa, Shu; Yamane, Kunio; Sekiguchi, Junichi

    1998-01-01

    The predicted amino acid sequence of Bacillus subtilis ycbQ (renamed cwlJ) exhibits high similarity to those of the deduced C-terminal catalytic domain of SleBs, the specific cortex-hydrolyzing enzyme of B. cereus and the deduced one of B. subtilis. We constructed a cwlJ::lacZ fusion in the B. subtilis chromosome. The β-galactosidase activity and results of Northern hybridization and primer extension analyses of the cwlJ gene indicated that it is transcribed by EςE RNA polymerase. cwlJ-deficient spores responded to both l-alanine and AGFK, the A580 values of spore suspensions decreased more slowly than in the case of the wild-type strain, and the mutant spores released less dipicolinic acid than did those of the wild-type strain during germination. However, the mutant spores released only slightly less hexosamine than did the wild-type spores. In contrast, B. subtilis sleB spores did not release hexosamine at a significant level. While cwlJ and sleB spores were able to germinate, CJSB (cwlJ sleB) spores could not germinate but exhibited initial germination reactions, e.g., partial decrease in A580 and slow release of dipicolinic acid. CJSB spores became slightly gray after 6 h in the germinant, but their refractility was much greater than that of sleB mutant spores. The roles of the sleB and cwlJ mutations in germination and spore maturation are also discussed. PMID:9515903

  1. Calculations of Nuclear Astrophysics and Californium Fission Neutron Spectrum Averaged Cross Section Uncertainties Using ENDF/B-VII.1, JEFF-3.1.2, JENDL-4.0 and Low-fidelity Covariances

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

    Pritychenko, B., E-mail: pritychenko@bnl.gov

    Nuclear astrophysics and californium fission neutron spectrum averaged cross sections and their uncertainties for ENDF materials have been calculated. Absolute values were deduced with Maxwellian and Mannhart spectra, while uncertainties are based on ENDF/B-VII.1, JEFF-3.1.2, JENDL-4.0 and Low-Fidelity covariances. These quantities are compared with available data, independent benchmarks, EXFOR library, and analyzed for a wide range of cases. Recommendations for neutron cross section covariances are given and implications are discussed.

  2. An EPR investigation of the dynamic Jahn-Teller effect in SrCl2:y(2 plus) and SrCl2:Sc(2 plus)

    NASA Technical Reports Server (NTRS)

    Herrington, J. R.; Estle, T. L.; Boatner, L. A.

    1972-01-01

    EPR spectra have been observed for SrCl2:Y(2+) and SrCl2:Sc(2+) at liquid helium temperatures. At 1.2 K the spectra were dominated by anisotropic hyperfine patterns whose lineshapes and angular dependences were explained using second order solutions of the effective Hamiltonian for an isolated 2Eg state split by large random internal strains. Pronounced asymmetries in some of the strin produced lineshapes for Srcl2:Sc(2+) are shown to result from second order terms in the solution of the effective Hamiltonian. Coexisting with the anisotropic hyperfine patterns are weak nearly isotropic hyperfine patterns with typical lineshapes. Variations in the apparent intensity of lines in these weak hyperfine patterns as functions of the applied magnetic field direction and temperature imply that these lines result from averaging by vibronic relaxation of a portion of the anisotropic pattern. The effective Hamiltonian parameters for SrCl2:La(2+), SrCl2:y(2+), and SrCl2:SC(2+) are analyzed in terms of crystal field theory modified to include a dynamic Jahn-Teller effect.

  3. Atmospheric emissions and trends of nitrous oxide deduced from 10 years of ALE-GAGE data

    NASA Technical Reports Server (NTRS)

    Prinn, R.; Cunnold, D.; Alyea, F.; Rasmussen, R.; Simmonds, P.

    1990-01-01

    Long-term measurements of nitrous oxide (N2O) obtained during the Atmospheric Lifetime Experiment (ALE) and the Global Atmospheric Gases Experiment (GAGE) for a period from 1978 to 1988 are presented and interpreted. It is observed that the average concentration in the Northern Hemisphere is 0.75 +/- 0.16 ppbv higher than in the Southern Hemisphere and that the global average linear trend in N2O lies in the range from 0.25 to 0.31 percent/year. The measured trends and latitudinal distributions are shown to be consistent with the hypothesis that stratospheric photodissociation is the major atmospheric sink for N2O, while the cause of the N2O trend is suggested to be a combination of a growing tropical source and a growing Northern mid-latitude source. A 10-year average global N2O emission rate of (20.5 +/- 2.4) x 10 to the 12th g N2O/year is deduced from the ALE/GAGE data.

  4. Martian Low-Altitude Magnetic Topology Deduced from MAVEN/SWEA Observations

    NASA Astrophysics Data System (ADS)

    Xu, S.; Mitchell, D. L.; Liemohn, M. W.; Fang, X.; Ma, Y.; Luhmann, J. G.; Brain, D. A.; Steckiewicz, M.; Mazelle, C. X.; Connerney, J. E. P.; Jakosky, B. M.

    2016-12-01

    The Mars Atmosphere and Volatile Evolution (MAVEN) mission is the first to make comprehensive plasma and magnetic field measurements down to 150 km altitude over wide ranges of solar zenith angle, local time, longitude, and latitude. The Magnetometer (MAG) and the Solar Wind Electron Analyzer (SWEA) measure the magnetic field vector and the energy-angle distribution of superthermal (3-4600 eV) electrons along the spacecraft trajectory. This study presents pitch angle-resolved electron energy spectra, which we use to infer the plasma source regions sampled by the magnetic field line at large distances from the spacecraft, and in particular whether one or both ends of the magnetic field line have access to the day-side ionosphere. This is a key piece of information for deducing Martian magnetic topology. In the northern hemisphere at altitudes below 400 km, we find that magnetic field lines typically have both ends embedded in the collisional ionosphere, forming loops that connect distant regions on both the day and night hemispheres. This implies that this low-altitude region is dominated by closed crustal magnetic field lines, as opposed to the draped interplanetary magnetic field (IMF), which is prevalent at higher altitudes. Closed loops straddling the terminator allow transport of superthermal photoelectrons to the night hemisphere, which provides a source of ionization to support Mars' patchy night-side ionosphere. This study can also identify "open" field lines, with one end embedded in the ionosphere and the other end connected to the solar wind. This topology provides a conduit for ion outflow from the day-side ionosphere as well as precipitation of (possibly energized) solar wind electrons onto the atmosphere, which can also produce ionospheric patches and possibly auroral emissions.

  5. Adsorption of water vapour and the specific surface area of arctic zone soils (Spitsbergen)

    NASA Astrophysics Data System (ADS)

    Cieśla, Jolanta; Sokołowska, Zofia; Witkowska-Walczak, Barbara; Skic, Kamil

    2018-01-01

    Water vapour/nitrogen adsorption were investigated and calculated the specific surface areas of arctic-zone soil samples (Turbic Cryosols) originating from different micro-relief forms (mud boils, cell forms and sorted circles) and from different depths. For the characterisation of the isotherms obtained for arctic soils, the Brunauer-Emmet-Teller model was then compared with the two other models (Aranovich-Donohue and Guggenheim-Anderson-de Boer) which were developed from Brunauer-Emmet-Teller. Specific surface area was calculated using the Brunauer-Emmet-Teller model at p p0-1 range of 0.05-0.35 for the water vapour desorption and nitrogen adsorption isotherms. The values of total specific surface area were the highest in Cryosols on mud boils, lower on cell forms, and the lowest on sorted circles. Such tendency was observed for the results obtained by both the water vapour and nitrogen adsorption. The differences in the values of specific surface area at two investigated layers were small. High determination coefficients were obtained for relationships between the specific surface areas and contents of clay and silt fraction in Cryosols. No statistically significant correlation between the total carbon amount and the values of specific surface area in Cryosols has been found.

  6. High-pressure behavior of cuprospinel CuFe 2O 4: Influence of the Jahn-Teller effect on the spinel structure

    DOE PAGES

    Kyono, Atsushi; Gramsch, Stephen A.; Nakamoto, Yuki; ...

    2015-08-14

    The Jahn-Teller-effect at Cu 2+ in cuprospinel CuFe 2O 4 was investigated using high-pressure, single crystal synchrotron x-ray diffraction (XRD) techniques at beamline BL10A at the Photon Factory, KEK, Japan. Six data sets were collected in the pressure range from ambient to 5.9 GPa at room temperature. Structural refinements based on the data were performed at 0.0, 1.8, 2.7, and 4.6 GPa. The unit cell volume of cuprospinel decreases continuously from 590.8 (6) Å 3 to 579.5 (8) Å 3 up to 3.8 GPa. Leastsquares fitting to a third-order Birch-Murnaghan equation of state yields zero-pressure volume V 0 = 590.7more » (1) Å 3 and bulk modulus K 0 = 188.1 (4.4) GPa with K’ fixed at 4.0. The crystal chemical composition determined by electron-probe analysis and x-ray site-occupancy refinement is represented as [Cu 0.526Fe 0.474] [6][Cu 0.074Fe 1.926]O 4. Most of the Cu 2+ are preferentially distributed onto the tetrahedral (T) site of the spinel structure. At 4.6 GPa, a cubic-tetragonal phase transition is indicated by a splitting of the a axis of the cubic structure into a smaller a axis and a longer c axis, with unit cell parameters a = 5.882 (1) Å and c = 8.337 (1) Å. The tetragonal crystal structure with space group I4 1/amd was refined to R1 = 0.0182 and wR2 = 0.0134 using observed 35 x-ray reflections. At the T site, the tetrahedral O-T-O bond angles along the c-axis direction of the unit cell decreases slightly from 109.47 ° to 108.7 (4) °, which generates a stretched tetrahedral geometry along the c-axis. The cubic-totetragonal transition induced by the Jahn-Teller effect at Cu 2+ is attributable to the angular distortion at the tetrahedral site. At the octahedral (M) site, on the other hand, the two M-O bonds parallel to the caxis are shortened with respect to the four M-O bonds parallel to the ab-plane, which are lengthened as a result of the phase transition, leading to a compressed octahedral geometry along the c-axis. With the competing distortions

  7. Improved spectral absorption coefficient grouping strategy of wide band k-distribution model used for calculation of infrared remote sensing signal of hot exhaust systems

    NASA Astrophysics Data System (ADS)

    Hu, Haiyang; Wang, Qiang

    2018-07-01

    A new strategy for grouping spectral absorption coefficients, considering the influences of both temperature and species mole ratio inhomogeneities on correlated-k characteristics of the spectra of gas mixtures, has been deduced to match the calculation method of spectral overlap parameter used in multiscale multigroup wide band k-distribution model. By comparison with current spectral absorption coefficient grouping strategies, for which only the influence of temperature inhomogeneity on the correlated-k characteristics of spectra of single species was considered, the improvements in calculation accuracies resulting from the new grouping strategy were evaluated using a series of 0D cases in which radiance under 3-5-μm wave band emitted by hot combustion gas of hydrocarbon fuel was attenuated by atmosphere with quite different temperature and mole ratios of water vapor and carbon monoxide to carbon dioxide. Finally, evaluations are presented on the calculation of remote sensing thermal images of transonic hot jet exhausted from a chevron ejecting nozzle with solid wall cooling system.

  8. Estimated probabilities and volumes of postwildfire debris flows—A prewildfire evaluation for the Pikes Peak area, El Paso and Teller Counties, Colorado

    USGS Publications Warehouse

    Elliott, John G.; Ruddy, Barbara C.; Verdin, Kristine L.; Schaffrath, Keelin R.

    2012-01-01

    Debris flows are fast-moving, high-density slurries of water, sediment, and debris that can have enormous destructive power. Although debris flows, triggered by intense rainfall or rapid snowmelt on steep hillsides covered with erodible material, are a common geomorphic process in some unburned areas, a wildfire can transform conditions in a watershed with no recent history of debris flows into conditions that pose a substantial hazard to residents, communities, infrastructure, aquatic habitats, and water supply. The location, extent, and severity of wildfire and the subsequent rainfall intensity and duration cannot be known in advance; however, hypothetical scenarios based on empirical debris-flow models are useful planning tools for conceptualizing potential postwildfire debris flows. A prewildfire study to determine the potential for postwildfire debris flows in the Pikes Peak area in El Paso and Teller Counties, Colorado, was initiated in 2010 by the U.S. Geological Survey, in cooperation with the City of Colorado Springs, Colorado Springs Utilities. The study was conducted to provide a relative measure of which subwatersheds might constitute the most serious potential debris-flow hazards in the event of a large-scale wildfire and subsequent rainfall.

  9. Orbital disproportionation of electronic density is a universal feature of alkali-doped fullerides

    PubMed Central

    Iwahara, Naoya; Chibotaru, Liviu F.

    2016-01-01

    Alkali-doped fullerides show a wide range of electronic phases in function of alkali atoms and the degree of doping. Although the presence of strong electron correlations is well established, recent investigations also give evidence for dynamical Jahn–Teller instability in the insulating and the metallic trivalent fullerides. In this work, to reveal the interplay of these interactions in fullerides with even electrons, we address the electronic phase of tetravalent fulleride with accurate many-body calculations within a realistic electronic model including all basic interactions extracted from first principles. We find that the Jahn–Teller instability is always realized in these materials too. In sharp contrast to the correlated metals, tetravalent system displays uncorrelated band-insulating state despite similar interactions present in both fullerides. Our results show that the Jahn–Teller instability and the accompanying orbital disproportionation of electronic density in the degenerate lowest unoccupied molecular orbital band is a universal feature of fullerides. PMID:27713426

  10. Electron density increases due to Lightning activity as deduced from LWPC code and VLF signal perturbations.

    NASA Astrophysics Data System (ADS)

    Samir, Nait Amor; Bouderba, Yasmina

    VLF signal perturbations in association with thunderstorm activity appear as changes in the signal amplitude and phase. Several papers reported on the characteristics of thus perturbations and their connection to the lightning strokes amplitude and polarity. In this contribution, we quantified the electrons density increases due to lightning activity by the use of the LWPC code and VLF signal perturbations parameters. The method is similar to what people did in studying the solar eruptions effect. the results showed that the reference height (h') decreased to lower altitudes (between 70 and 80 km). From the LWPC code results the maximum of the electron density was then deduced. Therefore, a numerical simulation of the atmospheric species times dependences was performed to study the recovery times of the electrons density at different heights. The results showed that the recovery time last for several minutes and explain the observation of long recovery Early signal perturbations.

  11. Broadening of the R(0) and P(2) Lines in the 13CO Fundamental by Helium Atoms from 300 K down to 12 K: Measurements and Comparison with Close-Coupling Calculations

    NASA Technical Reports Server (NTRS)

    Thibault, F.; Mantz, A. W.; Claveau, C.; Valentin, A.; Hurtmans, D.

    2007-01-01

    We present measurements of He-broadening parameters for the R(0) and O(2) lines in the fundamental band of 13CO at different temperatures between 12K and room temperature. The broadening parameters are determined, taking into account confinement narrowing, by simultaneous least-squares fitting of spectra recorded using a frequency stabilized diode laser spectrometer. The pressure broadening cross sections are deduced and compared to close-coupling calculations and earlier results obtained for rotational transitions of 12 CO.

  12. Electronic properties of RDX and HMX: Compton scattering experiment and first-principles calculation.

    PubMed

    Ahuja, B L; Jain, Pradeep; Sahariya, Jagrati; Heda, N L; Soni, Pramod

    2013-07-11

    The first-ever electron momentum density (EMD) measurements of explosive materials, namely, RDX (1,3,5-trinitro-1,3,5-triazacyclohexane, (CH2-N-NO2)3) and HMX (1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane, (CH2-N-NO2)4), have been reported using a 740 GBq (137)Cs Compton spectrometer. Experimental Compton profiles (CPs) are compared with the EMDs derived from linear combination of atomic orbitals with density functional theory. It is found that the CPs deduced from generalized gradient approximation (GGA) with Wu-Cohen exchange energies give a better agreement with the corresponding experimental profiles than those from local density approximation and other schemes of GGA. Further, Mulliken population, energy bands, partial and total density of states, and band gap have also been reported using GGA calculations. Present ground state calculations unambiguously show large band gap semiconductor nature of both RDX and HMX. A similar type of bonding in these materials is uniquely established using Compton data and density of states. It is also outstandingly consistent with the Mulliken population, which predicts almost equal amount of charge transfer (0.84 and 0.83 e(-)) from H1 + H2 + N2 to C1 + N1 + O1 + O2 in both the explosives.

  13. Theoretical study on elastic properties of Si2N2O by ab initio calculation

    NASA Astrophysics Data System (ADS)

    Tsuboi, Seiya; Adachi, Kanta; Nagakubo, Akira; Ogi, Hirotsugu

    2018-07-01

    The elastic constants of crystalline Si2N2O remain unknown since it was discovered in the 1960s. We determine the nine independent elastic constants of orthorhombic Si2N2O by ab initio calculations. We applied various deformation modes with strains up to ±0.01 to a unit cell, calculated the energy-strain relationships, and deduced all the elastic constants by fitting the harmonic-oscillation function. Our results are as follows: C 11 = 311.1, C 22 = 238.5, C 33 = 317.9, C 44 = 136.1, C 55 = 57.6, C 66 = 73.9, C 12 = 79.6, C 13 = 52.2, and C 23 = 33.6 GPa. Despite the different crystal structures and symmetries, the direction-over-averaged Young’s modulus of Si2N2O is well explained by the nitrogen content and Young’s moduli of α-SiO2 and β-Si3N4. The anisotropy of sound-wave velocity was investigated, and its origin was examined on the basis of the crystallographic structure. The quasi-isotropic plane for the longitudinal-wave propagation was identified.

  14. Symmetry and structure of carbon-nitrogen complexes in gallium arsenide from infrared spectroscopy and first-principles calculations

    NASA Astrophysics Data System (ADS)

    Künneth, Christopher; Kölbl, Simon; Wagner, Hans Edwin; Häublein, Volker; Kersch, Alfred; Alt, Hans Christian

    2018-04-01

    Molecular-like carbon-nitrogen complexes in GaAs are investigated both experimentally and theoretically. Two characteristic high-frequency stretching modes at 1973 and 2060 cm-1, detected by Fourier transform infrared absorption (FTIR) spectroscopy, appear in carbon- and nitrogen-implanted and annealed layers. From isotopic substitution, it is deduced that the chemical composition of the underlying complexes is CN2 and C2N, respectively. Piezospectroscopic FTIR measurements reveal that both centers have tetragonal symmetry. For density functional theory (DFT) calculations, linear entities are substituted for the As anion, with the axis oriented along the 〈1 0 0 〉 direction, in accordance with the experimentally ascertained symmetry. The DFT calculations support the stability of linear N-C-N and C-C-N complexes in the GaAs host crystal in the charge states ranging from + 3 to -3. The valence bonds of the complexes are analyzed using molecular-like orbitals from DFT. It turns out that internal bonds and bonds to the lattice are essentially independent of the charge state. The calculated vibrational mode frequencies are close to the experimental values and reproduce precisely the isotopic mass splitting from FTIR experiments. Finally, the formation energies show that under thermodynamic equilibrium CN2 is more stable than C2N.

  15. Evaluation of prompt gamma-ray data and nuclear structure of niobium-94 with statistical model calculations

    NASA Astrophysics Data System (ADS)

    Turkoglu, Danyal

    Precise knowledge of prompt gamma-ray intensities following neutron capture is critical for elemental and isotopic analyses, homeland security, modeling nuclear reactors, etc. A recently-developed database of prompt gamma-ray production cross sections and nuclear structure information in the form of a decay scheme, called the Evaluated Gamma-ray Activation File (EGAF), is under revision. Statistical model calculations are useful for checking the consistency of the decay scheme, providing insight on its completeness and accuracy. Furthermore, these statistical model calculations are necessary to estimate the contribution of continuum gamma-rays, which cannot be experimentally resolved due to the high density of excited states in medium- and heavy-mass nuclei. Decay-scheme improvements in EGAF lead to improvements to other databases (Evaluated Nuclear Structure Data File, Reference Input Parameter Library) that are ultimately used in nuclear-reaction models to generate the Evaluated Nuclear Data File (ENDF). Gamma-ray transitions following neutron capture in 93Nb have been studied at the cold-neutron beam facility at the Budapest Research Reactor. Measurements have been performed using a coaxial HPGe detector with Compton suppression. Partial gamma-ray production capture cross sections at a neutron velocity of 2200 m/s have been deduced relative to that of the 255.9-keV transition after cold-neutron capture by 93Nb. With the measurement of a niobium chloride target, this partial cross section was internally standardized to the cross section for the 1951-keV transition after cold-neutron capture by 35Cl. The resulting (0.1377 +/- 0.0018) barn (b) partial cross section produced a calibration factor that was 23% lower than previously measured for the EGAF database. The thermal-neutron cross sections were deduced for the 93Nb(n,gamma ) 94mNb and 93Nb(n,gamma) 94gNb reactions by summing the experimentally-measured partial gamma-ray production cross sections associated

  16. Studies of an Isolated 15N- 15N Spin Pair. Off-Angle Fast-Sample-Spinning NMR and Self-Consistent-Field Calculations for Diazo Systems

    NASA Astrophysics Data System (ADS)

    Challoner, Robin; Harris, Robin K.; Tossell, John A.

    1997-05-01

    An off-magic-angle spinning study of the nonassociated molecular solid, doubly15N-labeled 5-methyl-2-diazobenzenesulphonic acid hydrochloride (I) is reported. The validity of the off-magic-angle spinning approach under fast-spinning conditions is verified by average Hamiltonian theory. Ab initio SCF calculations were performed on the simpler molecule, C6H5N2+, to provide the shielding parameters, the dipolar coupling between the two nitrogen nuclei, and the electric field gradient existing at both the α-nitrogen and β-nitrogen sites. The calculated values are in good agreement with the shielding and effective dipolar coupling data elucidated in the present investigation, and with a previous study of the two singly15N-labeled isotopomers in which information concerning the electric field gradient at the α and β sites was deduced.

  17. The beta-delayed particle decay of neon-17

    NASA Astrophysics Data System (ADS)

    Morton, Anthony Colin

    2001-10-01

    An experiment has been proposed to study the β- delayed proton decay of 17Ne into α- particle-emitting states in 16O below the 12C + α threshold in the hopes of using the information gained to constrain the 12C(α, γ) 16O cross section at stellar energies; several experiments have been carried out using the TISOL facility at TRIUMF in an effort to determine the feasibility of such an approach. 17Ne decays by β-particle emission to excited states in 17F; by studying proton-γ-ray coincidences in the decay of these states, relative branching ratios have been obtained for the β-delayed proton decay of 17Ne to γ-ray-emitting states in 16O. These indicate that the decay of the isobaric analogue state (IAS) at 11.1929 MeV in 17F to the 2 + subthreshold state at 6.917 MeV in 16O is a factor of thirty weaker than that of the IAS to any other γ- emitting state. From measurements of the angular correlations observed in such coincidences, the spins and parities of several excited states in 17F have been determined; it has also been shown that the decay of the IAS to the 1 - subthreshold state at 7.117 MeV in 16O is strongly anisotropic, suggesting that it has a strong l = 2 component. Further decay studies have yielded a comprehensive set of β-delayed particle branching ratios from the decay of 17Ne; from these, fAt values and reduced Gamow-Teller matrix elements have been calculated, and the Fermi decay strength of the IAS has been limited to >=2.96 +/- 0.14 indicating a T = / isospin purity of >=98.7 +/- 4.6% for the IAS. The results obtained suggest that a determination of both the E1 and E2 components of the 12C(α, γ) 16O cross section is not feasible; however, with improved yields of 17Ne, a determination of only the E1 component should be.

  18. The Importance of Considering the Temporal Distribution of Climate Variables for Ecological-Economic Modeling to Calculate the Consequences of Climate Change for Agriculture

    NASA Astrophysics Data System (ADS)

    Plegnière, Sabrina; Casper, Markus; Hecker, Benjamin; Müller-Fürstenberger, Georg

    2014-05-01

    The basis of many models to calculate and assess climate change and its consequences are annual means of temperature and precipitation. This method leads to many uncertainties especially at the regional or local level: the results are not realistic or too coarse. Particularly in agriculture, single events and the distribution of precipitation and temperature during the growing season have enormous influences on plant growth. Therefore, the temporal distribution of climate variables should not be ignored. To reach this goal, a high-resolution ecological-economic model was developed which combines a complex plant growth model (STICS) and an economic model. In this context, input data of the plant growth model are daily climate values for a specific climate station calculated by the statistical climate model (WETTREG). The economic model is deduced from the results of the plant growth model STICS. The chosen plant is corn because corn is often cultivated and used in many different ways. First of all, a sensitivity analysis showed that the plant growth model STICS is suitable to calculate the influences of different cultivation methods and climate on plant growth or yield as well as on soil fertility, e.g. by nitrate leaching, in a realistic way. Additional simulations helped to assess a production function that is the key element of the economic model. Thereby the problems when using mean values of temperature and precipitation in order to compute a production function by linear regression are pointed out. Several examples show why a linear regression to assess a production function based on mean climate values or smoothed natural distribution leads to imperfect results and why it is not possible to deduce a unique climate factor in the production function. One solution for this problem is the additional consideration of stress indices that show the impairment of plants by water or nitrate shortage. Thus, the resulting model takes into account not only the ecological

  19. A2TiF 5· nH 2O ( A=K, Rb, or Cs; n=0 or 1): Synthesis, structure, characterization, and calculations of three new uni-dimensional titanium fluorides

    NASA Astrophysics Data System (ADS)

    Jo, Vinna; Woo Lee, Dong; Koo, Hyun-Joo; Ok, Kang Min

    2011-04-01

    Three new uni-dimensional alkali metal titanium fluoride materials, A2TiF 5· nH 2O ( A=K, Rb, or Cs; n=0 or 1) have been synthesized by hydrothermal reactions. The structures of A2TiF 5· nH 2O have been determined by single-crystal X-ray diffraction. The Ti 4+ cations have been reduced to Ti 3+ during the synthesis reactions. All three A2TiF 5· nH 2O materials contain novel 1-D chain structures that are composed of the slightly distorted Ti 3+F 6 corner-sharing octahedra attributable to the Jahn-Teller distortion. The coordination environment of the alkali metal cations plays an important role to determine the degree of turning in the chain structures. Complete structural analyses, Infrared and UV-vis diffuse reflectance spectra, and thermal analyses are presented, as are electronic structure calculations.

  20. Is Earth-based scaling a valid procedure for calculating heat flows for Mars?

    NASA Astrophysics Data System (ADS)

    Ruiz, Javier; Williams, Jean-Pierre; Dohm, James M.; Fernández, Carlos; López, Valle

    2013-09-01

    Heat flow is a very important parameter for constraining the thermal evolution of a planetary body. Several procedures for calculating heat flows for Mars from geophysical or geological proxies have been used, which are valid for the time when the structures used as indicators were formed. The more common procedures are based on estimates of lithospheric strength (the effective elastic thickness of the lithosphere or the depth to the brittle-ductile transition). On the other hand, several works by Kargel and co-workers have estimated martian heat flows from scaling the present-day terrestrial heat flow to Mars, but the so-obtained values are much higher than those deduced from lithospheric strength. In order to explain the discrepancy, a recent paper by Rodriguez et al. (Rodriguez, J.A.P., Kargel, J.S., Tanaka, K.L., Crown, D.A., Berman, D.C., Fairén, A.G., Baker, V.R., Furfaro, R., Candelaria, P., Sasaki, S. [2011]. Icarus 213, 150-194) criticized the heat flow calculations for ancient Mars presented by Ruiz et al. (Ruiz, J., Williams, J.-P., Dohm, J.M., Fernández, C., López, V. [2009]. Icarus 207, 631-637) and other studies calculating ancient martian heat flows from lithospheric strength estimates, and casted doubts on the validity of the results obtained by these works. Here however we demonstrate that the discrepancy is due to computational and conceptual errors made by Kargel and co-workers, and we conclude that the scaling from terrestrial heat flow values is not a valid procedure for estimating reliable heat flows for Mars.

  1. The interstellar redding law in the ultraviolet deduced from filter photometry obtained by the OAO-2 satellite

    NASA Technical Reports Server (NTRS)

    Laget, M.

    1972-01-01

    Filter photometry has been obtained of 16 BO stars at ten effective wavelengths in the range 4250-1430 A. The wavelength dependence of the interstellar reddening law, deduced from a least squares fit of the observed values to the reddening line at each band, is found in satisfactory agreement with that derived by Bless and Savage (1972). Toward the shorter wavelengths the increase of the computed probable error of the slope of the mean reddening line suggests that large fluctuations in the law may occur from star to star. Similar computations, separating main-sequence stars and supergiants, indicate that the large fluctuations of the law appear to be well related to the luminosity of the stars; the supergiants show systematically less extinction, this deficiency becoming large toward the far UV. The small number in the sample however, does not allow a general conclusion to be drawn.

  2. Walén test and de Hoffmann-Teller frame of interplanetary large-amplitude Alfvén waves

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

    Chao, J. K.; Hsieh, Wen-Chieh; Lee, L. C.

    2014-05-10

    In this study, three methods of analysis are compared to test the Walén relation. Method 1 requires a good de Hoffmann-Teller (HT) frame. Method 2 uses three components separately to find the frame that is slightly modified from Method 1. This method is intended to improve the accuracy of the HT frame and able to demonstrate the anisotropic property of the fluctuations. The better the relation is, the closer the slope of a regression fitting the data of plasma versus Alfvén velocities is to 1. However, this criterion is based on an average HT frame, and the fitted slope doesmore » not always work for the Walén test because the HT frame can change so fast in the high-speed streams. We propose Method 3 to check the Walén relation using a sequence of data generated by taking the difference of two consecutive values of plasma and Alfvén velocities, respectively. The difference data are independent of the HT frame. We suggest that the ratio of the variances between plasma and Alfvén velocities is a better parameter to qualify the Walén relation. Four cases in two solar wind streams are studied using these three methods. Our results show that when the solar wind HT frame remains stable, all three methods can predict Alfvénic fluctuations well, but Method 3 can better predict the Walén relation when solar wind contains structures with several small streams. A simulated case also demonstrates that Method 3 is better and more robust than Methods 1 and 2. These results are important for a better understanding of Alfvénic fluctuations and turbulence in the solar wind.« less

  3. Relations between aliphatics and silicate components in 12 stratospheric particles deduced from vibrational spectroscopy

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

    Merouane, S.; Djouadi, Z.; Le Sergeant d'Hendecourt, L., E-mail: sihane.merouane@ias.u-psud.fr

    2014-01-10

    Interplanetary dust particles (IDPs) are among the most pristine extraterrestrial samples available in the laboratory for analyses with moderate to high spatial- and spectral-resolution spectroscopic techniques. Their composition can provide precious information on the early stages of the solar nebula as well as on the processes on the surfaces of different small bodies in the solar system from which IDPs originate. In this work, we have analyzed six anhydrous IDPs and six stratospheric particles possibly of cosmic origin through infrared (IR) and Raman micro-spectroscopy to study and investigate their silicate and organic components. We find that the length/ramification of themore » aliphatic organics given by the CH{sub 2}/CH{sub 3} ratios in the IDPs is closely linked to the silicate family (pyroxene or olivine) present in the samples. Both IR and Raman data suggest that this relation is not correlated with either aqueous (as evidenced by the absence of aqueous related minerals) or thermal processes (as deduced from Raman measurements). Therefore, this observation might be related to the initial path of formation of the organics on the silicate surfaces, thus tracing a possible catalytic role that silicates would play in the formation and/or ramification of organic matter in the primitive nebula.« less

  4. The Raman and SERS spectra of indigo and indigo-Ag2 complex: DFT calculation and comparison with experiment.

    PubMed

    Ricci, Marilena; Lofrumento, Cristiana; Becucci, Maurizio; Castellucci, Emilio M

    2018-01-05

    Using time-dependent density functional theory in conjunction with B3LYP functional and LANL2DZ/6-31+g(d,p) basis sets, static and pre-resonance Raman spectra of the indigo-Ag 2 complex have been calculated. Structure optimization, excitation energies and pre-resonance Raman spectra of the indigo molecule have been obtained at the same level of theory. The available experimental Raman spectra at 1064, 785 and 514nm and the SERS spectra at 785 and 514nm have been well reproduced by the calculation. Experimental SERS spectra are confronted with the calculated pre-resonance Raman spectra obtained for the indigo-Ag 2 complex. The Raman activities calculated under the infinite lifetime approximation show a strong dependence upon the proximity to the energy and the oscillator strength of the excitation electronic transition. The comparison of the integrated EFs for indigo and indigo-Ag 2 calculated Raman spectra, gave some hints as to the enhancement mechanisms acting for the different excitation wavelengths. Whereas for excitation at a wavelength corresponding to 785nm, the enhancement mechanism for the Raman spectrum of the metal complex seems the chemical one, the strong increment (ten times) of the integrated EF of the Raman spectra of the complex in the case of 514nm excitation, suggests the onset of other enhancement mechanisms. Assuming that intra-cluster transitions with high oscillator strength can be thought of as to mimic surface plasmons excitations, we suggest the onset of the electromagnetic mechanisms (EM) as the origin of the Raman spectrum enhancement. Nevertheless, other enhancement effects cannot be ruled out, as a new molecular transition gains strength in the proximity of the excitation wavelength, as a consequence of the symmetry lowering of the molecule in the complex. A large variation across vibrational modes, by a factor of at least 10 4 , was found for the EFs. This large variation in the EFs can indicate that B-term Herzberg-Teller scattering

  5. The Raman and SERS spectra of indigo and indigo-Ag2 complex: DFT calculation and comparison with experiment

    NASA Astrophysics Data System (ADS)

    Ricci, Marilena; Lofrumento, Cristiana; Becucci, Maurizio; Castellucci, Emilio M.

    2018-01-01

    Using time-dependent density functional theory in conjunction with B3LYP functional and LANL2DZ/6-31+g(d,p) basis sets, static and pre-resonance Raman spectra of the indigo-Ag2 complex have been calculated. Structure optimization, excitation energies and pre-resonance Raman spectra of the indigo molecule have been obtained at the same level of theory. The available experimental Raman spectra at 1064, 785 and 514 nm and the SERS spectra at 785 and 514 nm have been well reproduced by the calculation. Experimental SERS spectra are confronted with the calculated pre-resonance Raman spectra obtained for the indigo-Ag2 complex. The Raman activities calculated under the infinite lifetime approximation show a strong dependence upon the proximity to the energy and the oscillator strength of the excitation electronic transition. The comparison of the integrated EFs for indigo and indigo-Ag2 calculated Raman spectra, gave some hints as to the enhancement mechanisms acting for the different excitation wavelengths. Whereas for excitation at a wavelength corresponding to 785 nm, the enhancement mechanism for the Raman spectrum of the metal complex seems the chemical one, the strong increment (ten times) of the integrated EF of the Raman spectra of the complex in the case of 514 nm excitation, suggests the onset of other enhancement mechanisms. Assuming that intra-cluster transitions with high oscillator strength can be thought of as to mimic surface plasmons excitations, we suggest the onset of the electromagnetic mechanisms (EM) as the origin of the Raman spectrum enhancement. Nevertheless, other enhancement effects cannot be ruled out, as a new molecular transition gains strength in the proximity of the excitation wavelength, as a consequence of the symmetry lowering of the molecule in the complex. A large variation across vibrational modes, by a factor of at least 104, was found for the EFs. This large variation in the EFs can indicate that B-term Herzberg-Teller scattering

  6. Electron temperature and de Hoffmann-Teller potential change across the Earth's bow shock: New results from ISEE 1

    NASA Astrophysics Data System (ADS)

    Hull, A. J.; Scudder, J. D.; Fitzenreiter, R. J.; Ogilvie, K. W.; Newbury, J. A.; Russell, C. T.

    We present a survey of the trends between the electron temperature increase ΔTe and the de Hoffmann-Teller frame (HTF) electrostatic potential jump ΔΦHT and their correlation with other parameters that characterize the shock transition using a new ISEE 1 database of 129 Earth bow shock crossings. A fundamental understanding of the HTF potential is central to distinguishing the reversible and irreversible changes to electron temperature across collisionless shocks. The HTF potential is estimated using three different techniques: (1) integrating the steady state, electron fluid momentum equation across the shock layer using high time resolution plasma and field data from ISEE 1, (2) using the steady state, electron fluid energy equation, and (3) using an electron polytrope approximation. We find that ΔΦHT and ΔTe are strongly and positively correlated with |Δ(mpUn2/2)|, which is in good qualitative agreement with earlier experimental surveys [Thomsen et al., 1987b; Schwartz et al., 1988] that used bow shock model normals and used the flow in the spacecraft frame. There is a strong linear organization of the ΔTe with ΔΦHT, which suggests an average effective electron polytropic index of <γe>~2. In addition, ΔTe and ΔΦHT are organized by βe, although our results may be biased by our limited sampling of shock conditions. Comparisons indicate that the differentials in the HTF potential δΦHT are proportional to the differentials in the magnetic field intensity δB across the shock, with a proportionality constant κ that is a fixed constant for a given shock crossing.

  7. Effect of complex configurations on the description of properties of {sup 132}Sn beta decay

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

    Severyukhin, A. P., E-mail: sever@theor.jinr.ru; Sushenok, E. O.

    2015-07-15

    Gamow–Teller transitions in the beta decay of the {sup 132}Sn neutron-rich nucleus was described microscopically. The coupling of one- and two-phonon components of the wave functions was taken into account on the basis of Skyrme interactions featuring various contributions of the tensor component. A separable approximation of the particle—hole interaction made it possible tohole interaction perform calculations in a large configuration space. It was shown that an increase in the strength of the neutron—proton tensor interaction led to an increase in the energy of Gamow—Teller transitions. In addition, a decrease in the {sup 132}Sn half-life with respect to beta decaymore » was obtained.« less

  8. Site-specific range uncertainties caused by dose calculation algorithms for proton therapy

    NASA Astrophysics Data System (ADS)

    Schuemann, J.; Dowdell, S.; Grassberger, C.; Min, C. H.; Paganetti, H.

    2014-08-01

    The purpose of this study was to assess the possibility of introducing site-specific range margins to replace current generic margins in proton therapy. Further, the goal was to study the potential of reducing margins with current analytical dose calculations methods. For this purpose we investigate the impact of complex patient geometries on the capability of analytical dose calculation algorithms to accurately predict the range of proton fields. Dose distributions predicted by an analytical pencil-beam algorithm were compared with those obtained using Monte Carlo (MC) simulations (TOPAS). A total of 508 passively scattered treatment fields were analyzed for seven disease sites (liver, prostate, breast, medulloblastoma-spine, medulloblastoma-whole brain, lung and head and neck). Voxel-by-voxel comparisons were performed on two-dimensional distal dose surfaces calculated by pencil-beam and MC algorithms to obtain the average range differences and root mean square deviation for each field for the distal position of the 90% dose level (R90) and the 50% dose level (R50). The average dose degradation of the distal falloff region, defined as the distance between the distal position of the 80% and 20% dose levels (R80-R20), was also analyzed. All ranges were calculated in water-equivalent distances. Considering total range uncertainties and uncertainties from dose calculation alone, we were able to deduce site-specific estimations. For liver, prostate and whole brain fields our results demonstrate that a reduction of currently used uncertainty margins is feasible even without introducing MC dose calculations. We recommend range margins of 2.8% + 1.2 mm for liver and prostate treatments and 3.1% + 1.2 mm for whole brain treatments, respectively. On the other hand, current margins seem to be insufficient for some breast, lung and head and neck patients, at least if used generically. If no case specific adjustments are applied, a generic margin of 6.3% + 1.2 mm would be

  9. Pseudo-Jahn-Teller Distortion in Two-Dimensional Phosphorus: Origin of Black and Blue Phases of Phosphorene and Band Gap Modulation by Molecular Charge Transfer.

    PubMed

    Chowdhury, Chandra; Jahiruddin, Sheik; Datta, Ayan

    2016-04-07

    Phosphorene (Pn) is stabilized as a layered material like graphite, yet it possess a natural direct band gap (Eg = 2.0 eV). Interestingly, unlike graphene, Pn exhibits a much richer phase diagram which includes distorted forms like the stapler-clip (black Pn, α form) and chairlike (blue Pn, β form) structures. The existence of these phases is attributed to pseudo-Jahn-Teller (PJT) instability of planar hexagonal P6(6-) rings. In both cases, the condition for vibronic instability of the planar P6(6-) rings is satisfied. Doping with electron donors like tetrathiafulvalene and tetraamino-tetrathiafulvalene and electron acceptors like tetracyanoquinodimethane and tetracyanoethylene convert blue Pn into N-type and black Pn into efficient P-type semiconductors, respectively. Interestingly, pristine blue Pn, an indirect gap semiconductor, gets converted into a direct gap semiconductor on electron or hole doping. Because of comparatively smaller undulation in blue Pn (with respect to black Pn), the van der Waals interactions between the dopants and blue Pn is stronger. PJT distortions for two-dimensional phosphorus provides a unified understanding of structural features and chemical reactivity in its different phases.

  10. Deducing the temporal order of cofactor function in ligand-regulated gene transcription: theory and experimental verification.

    PubMed

    Dougherty, Edward J; Guo, Chunhua; Simons, S Stoney; Chow, Carson C

    2012-01-01

    Cofactors are intimately involved in steroid-regulated gene expression. Two critical questions are (1) the steps at which cofactors exert their biological activities and (2) the nature of that activity. Here we show that a new mathematical theory of steroid hormone action can be used to deduce the kinetic properties and reaction sequence position for the functioning of any two cofactors relative to a concentration limiting step (CLS) and to each other. The predictions of the theory, which can be applied using graphical methods similar to those of enzyme kinetics, are validated by obtaining internally consistent data for pair-wise analyses of three cofactors (TIF2, sSMRT, and NCoR) in U2OS cells. The analysis of TIF2 and sSMRT actions on GR-induction of an endogenous gene gave results identical to those with an exogenous reporter. Thus new tools to determine previously unobtainable information about the nature and position of cofactor action in any process displaying first-order Hill plot kinetics are now available.

  11. Deducing the Temporal Order of Cofactor Function in Ligand-Regulated Gene Transcription: Theory and Experimental Verification

    PubMed Central

    Dougherty, Edward J.; Guo, Chunhua; Simons, S. Stoney; Chow, Carson C.

    2012-01-01

    Cofactors are intimately involved in steroid-regulated gene expression. Two critical questions are (1) the steps at which cofactors exert their biological activities and (2) the nature of that activity. Here we show that a new mathematical theory of steroid hormone action can be used to deduce the kinetic properties and reaction sequence position for the functioning of any two cofactors relative to a concentration limiting step (CLS) and to each other. The predictions of the theory, which can be applied using graphical methods similar to those of enzyme kinetics, are validated by obtaining internally consistent data for pair-wise analyses of three cofactors (TIF2, sSMRT, and NCoR) in U2OS cells. The analysis of TIF2 and sSMRT actions on GR-induction of an endogenous gene gave results identical to those with an exogenous reporter. Thus new tools to determine previously unobtainable information about the nature and position of cofactor action in any process displaying first-order Hill plot kinetics are now available. PMID:22272313

  12. Atmospheric response to Saharan dust deduced from ECMWF reanalysis increments

    NASA Astrophysics Data System (ADS)

    Kishcha, P.; Alpert, P.; Barkan, J.; Kirchner, I.; Machenhauer, B.

    2003-04-01

    This study focuses on the atmospheric temperature response to dust deduced from a new source of data - the European Reanalysis (ERA) increments. These increments are the systematic errors of global climate models, generated in reanalysis procedure. The model errors result not only from the lack of desert dust but also from a complex combination of many kinds of model errors. Over the Sahara desert the dust radiative effect is believed to be a predominant model defect which should significantly affect the increments. This dust effect was examined by considering correlation between the increments and remotely-sensed dust. Comparisons were made between April temporal variations of the ERA analysis increments and the variations of the Total Ozone Mapping Spectrometer aerosol index (AI) between 1979 and 1993. The distinctive structure was identified in the distribution of correlation composed of three nested areas with high positive correlation (> 0.5), low correlation, and high negative correlation (<-0.5). The innermost positive correlation area (PCA) is a large area near the center of the Sahara desert. For some local maxima inside this area the correlation even exceeds 0.8. The outermost negative correlation area (NCA) is not uniform. It consists of some areas over the eastern and western parts of North Africa with a relatively small amount of dust. Inside those areas both positive and negative high correlations exist at pressure levels ranging from 850 to 700 hPa, with the peak values near 775 hPa. Dust-forced heating (cooling) inside the PCA (NCA) is accompanied by changes in the static stability of the atmosphere above the dust layer. The reanalysis data of the European Center for Medium Range Weather Forecast(ECMWF) suggests that the PCA (NCA) corresponds mainly to anticyclonic (cyclonic) flow, negative (positive) vorticity, and downward (upward) airflow. These facts indicate an interaction between dust-forced heating /cooling and atmospheric circulation. The

  13. Free H₂ rotation vs Jahn-Teller constraints in the nonclassical trigonal (TPB)Co-H₂ complex.

    PubMed

    Gunderson, William A; Suess, Daniel L M; Fong, Henry; Wang, Xiaoping; Hoffmann, Christina M; Cutsail, George E; Peters, Jonas C; Hoffman, Brian M

    2014-10-22

    Proton exchange within the M-H2 moiety of (TPB)Co(H2) (Co-H2; TPB = B(o-C6H4P(i)Pr2)3) by 2-fold rotation about the M-H2 axis is probed through EPR/ENDOR studies and a neutron diffraction crystal structure. This complex is compared with previously studied (SiP(iPr)3)Fe(H2) (Fe-H2) (SiP(iPr)3 = [Si(o-C6H4P(i)Pr2)3]). The g-values for Co-H2 and Fe-H2 show that both have the Jahn-Teller (JT)-active (2)E ground state (idealized C3 symmetry) with doubly degenerate frontier orbitals, (e)(3) = [|mL ± 2>](3) = [x(2) - y(2), xy](3), but with stronger linear vibronic coupling for Co-H2. The observation of (1)H ENDOR signals from the Co-HD complex, (2)H signals from the Co-D2/HD complexes, but no (1)H signals from the Co-H2 complex establishes that H2 undergoes proton exchange at 2 K through rotation around the Co-H2 axis, which introduces a quantum-statistical (Pauli-principle) requirement that the overall nuclear wave function be antisymmetric to exchange of identical protons (I = 1/2; Fermions), symmetric for identical deuterons (I = 1; Bosons). Analysis of the 1-D rotor problem indicates that Co-H2 exhibits rotor-like behavior in solution because the underlying C3 molecular symmetry combined with H2 exchange creates a dominant 6-fold barrier to H2 rotation. Fe-H2 instead shows H2 localization at 2 K because a dominant 2-fold barrier is introduced by strong Fe(3d)→ H2(σ*) π-backbonding that becomes dependent on the H2 orientation through quadratic JT distortion. ENDOR sensitively probes bonding along the L2-M-E axis (E = Si for Fe-H2; E = B for Co-H2). Notably, the isotropic (1)H/(2)H hyperfine coupling to the diatomic of Co-H2 is nearly 4-fold smaller than for Fe-H2.

  14. On the Study of Statistical Intuitions.

    DTIC Science & Technology

    1981-05-15

    teller; 3. Linda is a bank teller who is PAGE 10 active in the feminist movement. In a large sample of statistically naive undergraduates, 86% judged...Linda is both a bank teller and an active feminist must be smaller than the probability that she is a bank teller. (ii) B is more probable than A...because Linda resembles a bank teller who is active in the feminist movement more than she resembles a bank teller. Argument (i) favoring the conjunction

  15. On the Numerical Analysis of Decay Rate Enhancement in Metallic Environment

    NASA Astrophysics Data System (ADS)

    Mehedinteanu, S.

    2007-10-01

    Motivated on the very recent experiments to determine the acceleration of the alpha decay of meta-stable radionuclides in metallic environment some work has been done to strengthten the importance in the process of electrons screening in metals. Thus, by combining the Gamow decay theory with electrostatic screening in Debye-Hückel approximation (jellium model) a formula for ``the shift'' in screening energy which enters in the decay enhancement factor expression that copes well with these experiments has been derived. It was established that to simulate the poly-atoms system containing decaying isotopes in QM&MD codes calculations, and to include ``the screening energy shift'' of protons, decay alpha, beta+ particles due to all surrounding interacting effects, it is sufficiently only to substitute the code ruly pseudo-potential input for hydrogen-like atoms (including alpha) by a screened Coulomb potential as from the well-known Gamow alpha decay theory. For demonstration is used the QM&MD code package which usually performs density-functional theory (DFT) total-energy calculations for materials ranging from insulators to transition metals. This package employs first-principles pseudo-potentials and a plane-wave basis-set, and it was used to do a special calculus for some metal environments (Pd) where protons-deuterons are implanted or when it is alloyed with a radionuclide-like isotopes (174Hf72), the results compare well with the existing experiments on the decay enhancement. These works give further arguments for a cheap solution to remove the transuranic waste (involving all alpha-decay) of used-up rods of fission reactors in a time period of a few years.

  16. The English Revision of The Blegdamsvej Faust

    NASA Astrophysics Data System (ADS)

    Keck, Karen

    2007-03-01

    At the 1932 meeting of quantum physicists at Niels Bohr's Copenhagen Institute, participants staged an updated version of Goethe's Faust with Pauli tempting Ehrenfest to accept a chargeless, massless particle, then called the neutron. The most widely read translation of the anonymous Faust: Eine Historie appears in George Gamow's Thirty Years that Shook Physics; his second wife, Barbara, translated the text. Her work masterfully communicates the parallels between Goethe's original and the anonymous parody, but it also rearranges and adds to the parody to strengthen those similarities and to reflect George Gamow's views. The changes emphasize the international and cooperative aspects of physics.

  17. Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach.

    PubMed

    Cecchet, F; Lis, D; Caudano, Y; Mani, A A; Peremans, A; Champagne, B; Guthmuller, J

    2012-03-28

    The knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular, DFT calculations have been carried out on three classes of models for the aliphatic chains. The first class of models consists of aliphatic chains, containing from 3 to 12 carbon atoms, in which only one methyl group can freely vibrate, while the rest of the chain is frozen by a strong overweight of its C and H atoms. This enables us to localize the probed vibrational modes on the methyl group. In the second class, only one methyl group is frozen, while the entire remaining chain is allowed to vibrate. This enables us to analyse the influence of the aliphatic chain on the methyl stretching vibrations. Finally, the dodecanethiol (DDT) molecule is considered, for which the effects of two dielectrics, i.e. n-hexane and n-dodecane, are investigated. Moreover, DDT calculations are also carried out by using different exchange-correlation (XC) functionals in order to assess the DFT approximations. Using the DFT IR vectors and Raman tensors, the SFG spectrum of DDT has been simulated and the orientation of the methyl group has then been deduced and compared with that obtained using an analytical approach based on a bond additivity model. This analysis shows that when using DFT molecular properties, the predicted orientation of the terminal methyl group tends to converge as a function of the alkyl chain length and that the effects of the chain as well as of the dielectric environment are small. Instead, a more significant difference is observed when comparing the DFT-based results with those obtained from the analytical approach, thus indicating

  18. Supercritical fluid in the mantle transition zone deduced from H-D interdiffusion of wadsleyite

    NASA Astrophysics Data System (ADS)

    Sun, Wei; Yoshino, Takashi; Sakamoto, Naoya; Yurimoto, Hisayoshi

    2018-02-01

    Knowledge of the distribution of water in the Earth's mantle is key to understanding the mantle convection and geochemical evolution of the Earth. As wadsleyite and ringwoodite can incorporate large amounts of water in their crystal structures, proton conduction has been invoked to account for the widespread conductive anomalies observed in the mantle wedge, where descending slab stagnates at the transition zone. However, there is a lot of controversy on whether proton conduction by itself is able to explain such anomalies, because of large discrepancy in the extent of the water effect deduced from previous electrical conductivity measurements on hydrous polycrystalline wadsleyite and ringwoodite. Here we report the hydrogen self-diffusion coefficient obtained from H-D interdiffusion experiments in wadsleyite single-crystal couples. Our results demonstrate that the effect of water on the electrical conductivity of wadsleyite is limited and hydrous wadsleyite by itself is unable to explain conductive anomalies in the transition zone. In contrast, the expected hydrogen effective diffusion does not allow the wide propagation of water between the stagnant slab and surrounding mantle, probably leading to persistence of local water saturation and continuous release of supercritical fluids at the stagnant slab roof on geological time scales. This phenomenon provides an alternative explanation for both the high-conductivity and seismic-velocity anomalies observed in the mantle wedge at the transition-zone depth.

  19. Research on the optical spectra, g factors and defect structures for two tetragonal Y²+ centers in the irradiated CaF₂: Y crystal.

    PubMed

    Zheng, Wen-Chen; Mei, Yang; Yang, Yu-Guang; Liu, Hong-Gang

    2012-11-01

    Based on the defect models that the tetragonal Y(2+) (1) center in the irradiated CaF(2): Y crystal is due to Y(2+) at Ca(2+) site associated with a nearest interstitial F(-) ion along C(4) axis and the tetragonal Y(2+) (2) center is Y(2+) at Ca(2+) site where the tetragonal distortion is caused by the static Jahn-Teller effect, the two optical spectral bands and anisotropic g factors for both tetragonal Y(2+) centers are calculated. The calculations are made by using two methods based on the cluster approach, one is the complete diagonalization (of energy matrix) method (CDM) and another is the perturbation theory method (PTM). The calculated results for each Y(2+) center from CDM and PTM coincide and show reasonable agreement with the experimental values. The calculated isotropic g factor for Y(2+) (2) center at higher temperature owing to the dynamical Jahn-Teller effect is also consistent with the observed value. The defect structures (i.e., tetragonal distortion) of the two Y(2+) centers are obtained from the calculation. It appears that both theoretical methods can be applied to explain the optical and EPR data, to study the defect model and to determine the defect structures for d(1) ions in crystals. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Study of Topological Effects Concerning the Lowest A″ and the Three A' States for the CO2(+) Ion.

    PubMed

    Dhindhwal, Vikash; Baer, Michael; Sathyamurthy, N

    2016-05-19

    A study of the topological effects, viz., the Jahn-Teller (JT) and Renner-Teller (RT) effects, in CO2(+) has been carried out by calculating nonadiabatic coupling terms (NACTs) at the state-averaged CASSCF level using the cc-pVTZ basis set for the lowest three A' states and one A″ state along a circular contour. Using the NACTs, the privileged adiabatic-to-diabatic transformation (ADT) angles (γ12) for 1A' and 2A' states of CO2(+) have been calculated along various circular contours. Employing one of the oxygen atoms as the test particle exposed two conical intersections (ci) located on each side of the CO diatom. The main purpose of this study is to explore the possibility of forming reliable diabatic potential energy surfaces for this system. Success in achieving this goal is guaranteed by the ability to calculate quantized privileged ADT angles along closed contours covering large regions in configuration space (see, e.g., J. Phys. Chem. A 2014 , 118 , 6361 ). The calculations were carried out for two and three JT states. In most cases very nice quantization has been achieved although the calculations were frequently done, as required, for large regions in configuration space (sometimes ≥18 Å(2)). In one case, for which the quantization was not gratifying, the inclusion of the RT effect modified it considerably.

  1. Deducing growth mechanisms for minerals from the shapes of crystal size distributions

    USGS Publications Warehouse

    Eberl, D.D.; Drits, V.A.; Srodon, J.

    1998-01-01

    Crystal size distributions (CSDs) of natural and synthetic samples are observed to have several distinct and different shapes. We have simulated these CSDs using three simple equations: the Law of Proportionate Effect (LPE), a mass balance equation, and equations for Ostwald ripening. The following crystal growth mechanisms are simulated using these equations and their modifications: (1) continuous nucleation and growth in an open system, during which crystals nucleate at either a constant, decaying, or accelerating nucleation rate, and then grow according to the LPE; (2) surface-controlled growth in an open system, during which crystals grow with an essentially unlimited supply of nutrients according to the LPE; (3) supply-controlled growth in an open system, during which crystals grow with a specified, limited supply of nutrients according to the LPE; (4) supply- or surface-controlled Ostwald ripening in a closed system, during which the relative rate of crystal dissolution and growth is controlled by differences in specific surface area and by diffusion rate; and (5) supply-controlled random ripening in a closed system, during which the rate of crystal dissolution and growth is random with respect to specific surface area. Each of these mechanisms affects the shapes of CSDs. For example, mechanism (1) above with a constant nucleation rate yields asymptotically-shaped CSDs for which the variance of the natural logarithms of the crystal sizes (??2) increases exponentially with the mean of the natural logarithms of the sizes (??). Mechanism (2) yields lognormally-shaped CSDs, for which ??2 increases linearly with ??, whereas mechanisms (3) and (5) do not change the shapes of CSDs, with ??2 remaining constant with increasing ??. During supply-controlled Ostwald ripening (4), initial lognormally-shaped CSDs become more symmetric, with ??2 decreasing with increasing ??. Thus, crystal growth mechanisms often can be deduced by noting trends in ?? versus ??2 of CSDs for

  2. Submarine paleoseismology of the northern Hikurangi subduction margin of New Zealand as deduced from Turbidite record since 16 ka

    NASA Astrophysics Data System (ADS)

    Pouderoux, Hugo; Proust, Jean-Noël; Lamarche, Geoffroy

    2014-01-01

    Paleoseismic studies seek to characterise the signature of pre-historical earthquakes by deriving quantitative information from the geological record such as the source, magnitude and recurrence of moderate to large earthquakes. In this study, we provide a ˜16,000 yr-long paleo-earthquake record of the 200 km-long northern Hikurangi Margin, New Zealand, using cm-thick deep-sea turbidites identified in sediment cores. Cores were collected in strategic locations across the margin within three distinct morphological re-entrants - the Poverty, Ruatoria and Matakaoa re-entrants. The turbidite facies vary from muddy to sandy with evidence for rare hyperpycnites interbedded with hemipelagites and tephra. We use the Oxal probabilistic software to model the age of each turbidite, using the sedimentation rate of hemipelagite deduced from well-dated tephra layers and radiocarbon ages measurements on planktonic foraminifera.

  3. Understanding Two Different Structures in the Dark Stable State of the Oxygen‐Evolving Complex of Photosystem II: Applicability of the Jahn–Teller Deformation Formula

    PubMed Central

    Shoji, Mitsuo; Isobe, Hiroshi; Tanaka, Ayako; Fukushima, Yoshimasa; Kawakami, Keisuke; Umena, Yasufumi; Kamiya, Nobuo; Nakajima, Takahito

    2017-01-01

    Abstract Tanaka et al. (J. Am. Chem. Soc., 2017, 139, 1718) recently reported the three‐dimensional (3D) structure of the oxygen evolving complex (OEC) of photosystem II (PSII) by X‐ray diffraction (XRD) using extremely low X‐ray doses of 0.03 and 0.12 MGy. They observed two different 3D structures of the CaMn4O5 cluster with different hydrogen‐bonding interactions in the S1 state of OEC keeping the surrounding polypeptide frameworks of PSII the same. Our Jahn–Teller (JT) deformation formula based on large‐scale quantum mechanics/molecular mechanics (QM/MM) was applied for these low‐dose XRD structures, elucidating important roles of JT effects of the MnIII ion for subtle geometric distortions of the CaMn4O5 cluster in OEC of PSII. The JT deformation formula revealed the similarity between the low‐dose XRD and damage‐free serial femtosecond X‐ray diffraction (SFX) structures of the CaMn4O5 cluster in the dark stable state. The extremely low‐dose XRD structures were not damaged by X‐ray irradiation. Implications of the present results are discussed in relation to recent SFX results and a blue print for the design of artificial photocatalysts for water oxidation. PMID:29577075

  4. Pseudo Jahn-Teller coupling in trioxides XO3(0,1,-1) with 22 and 23 valence electrons

    NASA Astrophysics Data System (ADS)

    Grein, Friedrich

    2013-05-01

    D3h and C2v geometries and energies, vertical excitation energies, as well as minimal energy paths as function of the O1(z)-X-O2 angle α were obtained for XO3(0,1,-1) (X = B, Al, Ga; C, Si, Ge; N, P, As; S, Se) molecules and ions with 22 and 23 valence electrons (VE), using density functional theory (DFT), coupled cluster with single and double substitutions with noniterative triple excitations (CCSD(T)), equation of motion (EOM)-CCSD, time-dependent DFT, and multi-reference configuration interaction methods. It is shown that pseudo Jahn-Teller (PJT) coupling increases as the central atom X becomes heavier, due to decreases in excitation energies. As is well known for CO3, the excited 1E' states of the 22 VE systems SiO3, GeO3; NO_3 ^ +, PO3+, AsO3+; BO3-, AlO3-, GaO3- have strong vibronic coupling with the 1A1' ground state via the e' vibrational modes, leading to a C2v minimum around α = 145°. For first and second row X atoms, there is an additional D3h minimum (α = 120°). Interacting excited states have minima around 135°. In the 23 VE systems CO3-, SiO3-; NO3, PO3; SO3+, coupling of the excited 2E' with the 2A2' ground state via the e' mode does not generate a C2v state. Minima of interacting excited states are close to 120°. However, due to very strong PJT coupling, a double-well potential is predicted for GeO3-, AsO3, and SeO3+, with a saddle point at D3h symmetry. Interaction of the b2 highest occupied molecular orbital with the b2 lowest unoccupied molecular orbital, both oxygen lone pair molecular orbitals, is seen as the reason for the C2v stabilization of 22 VE molecules.

  5. Deducing receptor signaling parameters from in vivo analysis: LuxN/AI-1 quorum sensing in Vibrio harveyi

    PubMed Central

    Swem, Lee R.; Swem, Danielle L.; Wingreen, Ned S.; Bassler, Bonnie L.

    2008-01-01

    Summary Quorum sensing, a process of bacterial cell-cell communication, relies on production, detection, and response to autoinducer signaling molecules. Here we focus on LuxN, a nine transmembrane domain protein from Vibrio harveyi, and the founding example of membrane-bound receptors for acyl-homoserine lactone (AHL) autoinducers. Previously, nothing was known about signal recognition by membrane-bound AHL receptors. We used mutagenesis and suppressor analyses to identify the AHL-binding domain of LuxN, and discovered LuxN mutants that confer decreased and increased AHL sensitivity. Our analysis of dose-response curves of multiple LuxN mutants pins these inverse phenotypes on quantifiable opposing shifts in the free-energy bias of LuxN for its kinase and phosphatase states. To extract signaling parameters, we exploited a strong LuxN antagonist, one of fifteen small-molecule antagonists we identified. We find that quorum-sensing-mediated communication can be manipulated positively and negatively to control bacterial behavior, and that signaling parameters can be deduced from in vivo data. PMID:18692469

  6. TU-H-CAMPUS-IeP1-05: A Framework for the Analytic Calculation of Patient-Specific Dose Distribution Due to CBCT Scan for IGRT

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

    Youn, H; Jeon, H; Nam, J

    Purpose: To investigate the feasibility of an analytic framework to estimate patients’ absorbed dose distribution owing to daily cone-beam CT scan for image-guided radiation treatment. Methods: To compute total absorbed dose distribution, we separated the framework into primary and scattered dose calculations. Using the source parameters such as voltage, current, and bowtie filtration, for the primary dose calculation, we simulated the forward projection from the source to each voxel of an imaging object including some inhomogeneous inserts. Then we calculated the primary absorbed dose at each voxel based on the absorption probability deduced from the HU values and Beer’s law.more » In sequence, all voxels constructing the phantom were regarded as secondary sources to radiate scattered photons for scattered dose calculation. Details of forward projection were identical to that of the previous step. The secondary source intensities were given by using scatter-to- primary ratios provided by NIST. In addition, we compared the analytically calculated dose distribution with their Monte Carlo simulation results. Results: The suggested framework for absorbed dose estimation successfully provided the primary and secondary dose distributions of the phantom. Moreover, our analytic dose calculations and Monte Carlo calculations were well agreed each other even near the inhomogeneous inserts. Conclusion: This work indicated that our framework can be an effective monitor to estimate a patient’s exposure owing to cone-beam CT scan for image-guided radiation treatment. Therefore, we expected that the patient’s over-exposure during IGRT might be prevented by our framework.« less

  7. Global significance of a sub-Moho boundary layer (SMBL) deduced from high-resolution seismic observations

    USGS Publications Warehouse

    Fuchs, K.; Tittgemeyer, M.; Ryberg, T.; Wenzel, F.; Mooney, W.

    2002-01-01

    We infer the fine structure of a sub-Moho boundary layer (SMBL) at the top of the lithospheric mantle from high-resolution seismic observations of Peaceful Nuclear Explosions (PNE) on superlong-range profiles in Russia. Densely recorded seismograms permit recognition of previously unknown features of teleseismic propagation of the well known Pn and Sn phases, such as a band of incoherent, scattered, high-frequency seismic energy, developing consistently from station to station, apparent velocities of sub-Moho material, and high-frequency energy to distances of more than 3000 km with a coda band, incoherent at 10 km spacing and yet consistently observed to the end of the profiles. Estimates of the other key elements of the SMBL were obtained by finite difference calculations of wave propagation in elastic 2D models from a systematic grid search through parameter space. The SMBL consists of randomly distributed, mild velocity fluctuations of 2% or schlieren of high aspect ratios (???40) with long horizontal extent (???20 km) and therefore as thin as 0.5 km only; SMBL thickness is 60-100 km. It is suggested that the SMBL is of global significance as the physical base of the platewide observed high-frequency phases Pn and Sn. It is shown that wave propagation in the SMBL waveguide is insensitive to the background velocity distribution on which its schlieren are superimposed. This explains why the Pn and Sn phases traverse geological provinces of various age, heat flow, crustal thickness, and tectonic regimes. Their propagation appears to be independent of age. temperature, pressure, and stress. Dynamic stretching of mantle material during subduction or flow, possibly combined with chemical differentiation have to be considered as scale-forming processes in the upper mantle. However, it is difficult to distinguish with the present sets of Pn/Sn array data whether (and also where) the boundary layer is a frozen-in feature of paleo-processes or whether it is a response to

  8. Experimental and Computational Investigations of the Threshold Photoelectron Spectrum of the HCCN Radical

    NASA Astrophysics Data System (ADS)

    Gans, B.; Falvo, Cyril; Coudert, L. H.; Garcia, Gustavo A.; Küger, J.; Loison, J.-C.

    2017-06-01

    The HCCN radical, already detected in the interstellar medium, is also important for nitrile chemistry in Titan's atmosphere. Quite recently the photoionization spectrum of the radical has been recorded using mass selected threshold photoelectron (TPE) spectroscopy and this provided us with the first spectroscopic information about the HCCN} cation. Modeling such a spectrum requires accounting for the non-rigidity of HCCN and for the Renner-Teller effect in HCCN+. In its ^3A'' electronic ground state, HCCN is a non-rigid molecule as the potential for the \\angle{HCC} bending angle is very shallow. Vibronic couplings with the same bending angle leads, in the ^2Π electronic ground state of HCCN+, to a strong Renner-Teller effect giving rise to a bent ^2A' and a quasi-linear ^2A'' state. In this paper the photoionization spectrum of the HCCN radical is simulated. The model developped treats the \\angle{HCC} bending angle as a large amplitude coordinate in both the radical and the cation and accounts for the overall rotation and the Renner-Teller couplings. Gaussian quadrature are used to calculate matrix elements of the three potential energy functions retrieved through ab initio calculations and rovibrational operators going to infinity for the linear configuration are treated rigorously. The HCCN TPE spectrum is computed with the above model calculating all rotational components and choosing the appropriate lineshape. This synthetic spectrum will be shown in the paper and compared with the experimental one.^b Guélin and Cernicharo, A&A 244 (1991) L21 Loison et al., Icarus 247 (2015) 218 Garcia, Krüger, Gans, Falvo, Coudert, and Loison, J. Chem. Phys. (2017) submitted Koput, J. Phys. Chem. A 106 (2002) 6183 Zhao, Zhang, and Sun, J. Phys. Chem. A 112 (2008) 12125

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  10. Beta delayed neutrons for nuclear structure and astrophysics

    NASA Astrophysics Data System (ADS)

    Grzywacz, Robert

    2014-09-01

    Beta-delayed neutron emission (β xn) is a significant or even dominant decay channel for the majority of very neutron-rich nuclei, especially for those on the r-process path. The recent theoretical models predicts that it may play more significant role then previously expected for astrophysics and this realization instigated a renewed experimental interest in this topic as a part of a larger scope of research on beta-decay strength distribution. Because studies of the decay strength directly probe relevant physics on the microscopic level, energy-resolved measurements of the beta-decay strength distribution is a better test of nuclear models than traditionally used experimental observables like half-lives and neutron branching ratios. A new detector system called the Versatile Array of Neutron Detectors at Low Energy (VANDLE) was constructed to directly address this issue. In its first experimental campaign at the Holifield Radioactive Ion Beam Facility neutron energy spectra in key regions of the nuclear chart were measured: near the shell closures at 78Ni and 132Sn, and for the deformed nuclei near 100Rb. In several cases, unexpectedly intense and concentrated, resonant-like, high-energy neutron structures were observed. These results were interpreted within shell model framework which clearly indicated that these neutron emission is driven by nuclear structure effects and are due to large Gamow-Teller type transition matrix elements. This research was sponsored in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreement No. DE-FG52-08NA28552.

  11. Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

    NASA Astrophysics Data System (ADS)

    Peters, William K.; Tiwari, Vivek; Jonas, David M.

    2017-11-01

    The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between

  12. Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

    PubMed

    Peters, William K; Tiwari, Vivek; Jonas, David M

    2017-11-21

    The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between

  13. Concentrations of carbonyl sulfide and hydrogen cyanide in the free upper troposphere and lower stratosphere deduced from ATMOS/Spacelab 3 infrared solar occultation spectra

    NASA Technical Reports Server (NTRS)

    Zander, R.; Rinsland, C. P.; Russell, J. M., III; Farmer, C. B.; Norton, R. H.

    1988-01-01

    This paper presents the results on the volume mixing ratio profiles of carbonyl sulfide and hydrogen cyanide, deduced from the spectroscopic analysis of IR solar absorption spectra obtained in the occultation mode with the Atmospheric Trace Molecule Spectroscopy (ATMOS) instrument during its mission aboard Spacelab 3. A comparison of the ATMOS measurements for both northern and southern latitudes with previous field investigations at low midlatitudes shows a relatively good agreement. Southern Hemisphere volume mixing ratio profiles for both molecules were obtained for the first time, as were the profiles for the Northern Hemisphere covering the upper troposphere and the lower stratosphere simultaneously.

  14. Eu/RG absorption and excitation spectroscopy in the solid rare gases: state dependence of crystal field splitting and Jahn-Teller coupling.

    PubMed

    Byrne, Owen; McCaffrey, John G

    2011-03-28

    Absorption spectroscopy recorded for annealed samples of matrix-isolated atomic europium reveals a pair of thermally stable sites in Ar and Kr while a single site exists in Xe. Plots of the matrix shifts of the visible s → p bands versus host polarizability, allowed the association of the single site in Xe and the blue sites in Ar and Kr. On the basis of the similar ground state bond lengths expected for the Eu-rare gas (RG) diatomics and the known Na-RG molecules, the blue sites are attributed to Eu occupancy in the smaller tetra-vacancy while the red sites are proposed to arise from hexa-vacancy sites. Both sites are of cubic symmetry, consistent with the pronounced Jahn-Teller structure present on the y(8)P ← a(8)S(7/2) transition for these bands in the three hosts studied. Site-selective excitation spectroscopy has been used to reanalyze complex absorption spectra previously published by Jakob et al. [Phys. Lett. A 57, 67 (1976)] for the near-UV f → d transitions. On the basis that a pair of thermally stable sites exist in solid argon, the occurrence of crystal field splitting has been identified to occur for the J ≥ 5/2 level of the (8)P state when isolated in these two sites with cubic symmetry. From a detailed lineshape analysis, the magnitude of the crystal field splittings on the J = 5/2 level in Ar is found to be 105 and 123 cm(-1) for the red and blue sites, respectively.

  15. Exploring Renner-Teller induced quenching in the reaction H(2S)+NH(a 1Delta): a combined experimental and theoretical study.

    PubMed

    Adam, L; Hack, W; McBane, G C; Zhu, H; Qu, Z-W; Schinke, R

    2007-01-21

    Experimental rate coefficients for the removal of NH(a (1)Delta) and ND(a (1)Delta) in collisions with H and D atoms are presented; all four isotope combinations are considered: NH+H, NH+D, ND+H, and ND+D. The experiments were performed in a quasistatic laser-flash photolysis/laser-induced fluorescence system at low pressures. NH(a (1)Delta) and ND(a (1)Delta) were generated by photolysis of HN(3) and DN(3), respectively. The total removal rate coefficients at room temperature are in the range of (3-5)x10(13) cm(3) mol(-1) s(-1). For two isotope combinations, NH+H and NH+D, quenching rate coefficients for the production of NH(X (3)Sigma(-)) or ND(X (3)Sigma(-)) were also determined; they are in the range of 1 x 10(13) cm(3) mol(-1) s(-1). The quenching rate coefficients directly reflect the strength of the Renner-Teller coupling between the (2)A(") and (2)A(') electronic states near linearity and so can be used to test theoretical models for describing this nonadiabatic process. The title reaction was modeled with a simple surface-hopping approach including a single parameter, which was adjusted to reproduce the quenching rate for NH+H; the same parameter value was used for all isotope combinations. The agreement with the measured total removal rate is good for all but one isotope combination. However, the quenching rates for the NH+D combination are only in fair (factor of 2) agreement with the corresponding measured data.

  16. Stratospheric aerosol acidity, density, and refractive index deduced from SAGE 2 and NMC temperature data

    NASA Technical Reports Server (NTRS)

    Yue, G. K.; Poole, L. R.; Wang, P.-H.; Chiou, E. W.

    1994-01-01

    Water vapor concentrations obtained by the Stratospheric Aerosol and Gas Experiment 2 (SAGE 2) and collocated temperatures provided by the National Meteorological Center (NMC) from 1986 to 1990 are used to deduce seasonally and zonally averaged acidity, density, and refractive index of stratospheric aerosols. It is found that the weight percentage of sulfuric acid in the aerosols increases from about 60 just above the tropopause to about 86 at 35 km. The density increases from about 1.55 to 1.85 g/cu cm between the same altitude limits. Some seasonal variations of composition and density are evident at high latitudes. The refractive indices at 1.02, 0.694, and 0.532 micrometers increase, respectively, from about 1.425, 1.430, and 1.435 just above the tropopause to about 1.445, 1.455, and 1.458 at altitudes above 27 km, depending on the season and latitude. The aerosol properties presented can be used in models to study the effectiveness of heterogeneous chemistry, the mass loading of stratospheric aerosols, and the extinction and backscatter of aerosols at different wavelengths. Computed aerosol surface areas, rate coefficients for the heterogeneous reaction ClONO2 + H2O yields HOCl + HNO3 and aerosol mass concentrations before and after the Pinatubo eruption in June 1991 are shown as sample applications.

  17. Hydraulics of subaqueous ash flows as deduced from their deposits

    NASA Astrophysics Data System (ADS)

    Doronzo, Domenico M.; Dellino, Pierfrancesco

    2012-09-01

    Subaqueous ash flows are gravity currents consisting of a mixture of sea water and ash particles. Also called volcaniclastic turbidity currents (VTCs), they can be generated because of remobilization of pyroclastic fall deposits, which are emplaced into the sea around a volcanic island, as well as far away, during an explosive eruption. The VTC upper part is the turbulent transport system for the flow, whereas the viscous basal one is the depositional system. Typical sequences of VTC deposits are characterized by cross-laminations, planar and convolute laminations, and massive beds, which reflect the stratified nature of the flow. Here, the analysis of some VTC hydraulic parameters is presented in order to depict flow behavior and sedimentation during deposition. A reverse engineering approach is proposed, which consists of calculating hydraulic parameters by starting from deposit features. The calculated values show that a VTC is homogeneously-turbulent for most of the thickness, but is viscous at its base. First, cross-laminations are directly acquired over the rough pre-existing seafloor, then planar or convolute laminations aggrade over the newly formed substrate. Finally, fine-grained suspended particles gently settle and cap the flow deposit.

  18. Self-force calculations with matched expansions and quasinormal mode sums

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

    Casals, Marc; Dolan, Sam; Ottewill, Adrian C.

    2009-06-15

    Accurate modeling of gravitational wave emission by extreme-mass ratio inspirals is essential for their detection by the LISA mission. A leading perturbative approach involves the calculation of the self-force acting upon the smaller orbital body. In this work, we present the first application of the Poisson-Wiseman-Anderson method of 'matched expansions' to compute the self-force acting on a point particle moving in a curved spacetime. The method employs two expansions for the Green function, which are, respectively, valid in the 'quasilocal' and 'distant past' regimes, and which may be matched together within the normal neighborhood. We perform our calculation in amore » static region of the spherically symmetric Nariai spacetime (dS{sub 2}xS{sup 2}), in which scalar-field perturbations are governed by a radial equation with a Poeschl-Teller potential (frequently used as an approximation to the Schwarzschild radial potential) whose solutions are known in closed form. The key new ingredients in our study are (i) very high order quasilocal expansions and (ii) expansion of the distant past Green function in quasinormal modes. In combination, these tools enable a detailed study of the properties of the scalar-field Green function. We demonstrate that the Green function is singular whenever x and x{sup '} are connected by a null geodesic, and apply asymptotic methods to determine the structure of the Green function near the null wave front. We show that the singular part of the Green function undergoes a transition each time the null wave front passes through a caustic point, following a repeating fourfold sequence {delta}({sigma}), 1/{pi}{sigma}, -{delta}({sigma}), -1/{pi}{sigma}, etc., where {sigma} is Synge's world function. The matched-expansion method provides insight into the nonlocal properties of the self-force. We show that the self-force generated by the segment of the worldline lying outside the normal neighborhood is not negligible. We apply the matched

  19. Deducing 2D Crystal Structure at the Solid/Liquid Interface with Atomic Resolution by Combined STM and SFG Study

    NASA Astrophysics Data System (ADS)

    McClelland, Arthur; Ahn, Seokhoon; Matzger, Adam J.; Chen, Zhan

    2009-03-01

    Supplemented by computed models, Scanning Tunneling Microscopy (STM) can provide detailed structure of 2D crystals formed at the liquid/solid interface with atomic resolution. However, some structural information such as functional group orientations in such 2D crystals needs to be tested experimentally to ensure the accuracy of the deduced structures. Due to the limited sensitivity, many other experimental techniques such as Raman and infrared spectroscopy have not been allowed to provide such structural information of 2D crystals. Here we showed that Sum Frequency Generation Vibrational Spectroscopy (SFG) can measure average orientation of functional groups in such 2D crystals, or physisorbed monolayers, providing key experimental data to aid in the modeling and interpretation of the STM images. The usefulness of combining these two techniques is demonstrated with a phthalate diesters monolayer formed at the 1-phenyloctane/ highly oriented pyrolytic graphite (HOPG) interface. The spatial orientation of the ester C=O of the monolayer was successfully determined using SFG.

  20. Active deformation processes of the Northern Caucasus deduced from the GPS observations

    NASA Astrophysics Data System (ADS)

    Milyukov, Vadim; Mironov, Alexey; Rogozhin, Eugeny; Steblov, Grigory; Gabsatarov, Yury

    2015-04-01

    The Northern Caucasus, as a part of the Alpine-Himalayan mobile belt, is a zone of complex tectonics associated with the interaction of the two major tectonic plates, Arabian and Eurasian. The first GPS study of the contemporary geodynamics of the Caucasus mountain system were launched in the early 1990s in the framework of the Russia-US joint project. Since 2005 observations of the modern tectonic motion of the Northern Caucasus are carried out using the continuous GPS network. This network encompasses the territory of three Northern Caucasian Republics of the Russian Federation: Karachay-Cherkessia, Kabardino-Balkaria, and North Ossetia. In the Ossetian part of the Northern Caucasus the network of GPS survey-mode sites has been deployed as well. The GPS velocities confirm weak general compression of the Northern Caucasus with at the rate of about 1-2 mm/year. This horizontal motion at the boundary of the Northern Caucasus with respect to the Eurasian plate causes the higher seismic and tectonic activity of this transition zone. This result confirms that the source of deformation of the Northern Caucasus is the sub-meridional drift of the Arabian plate towards the adjacent boundary of the Eastern European part of the Eurasian lithospheric plate. The concept of such convergence implies that the Caucasian segment of the Alpine-Himalayan mobile belt is under compression, the layers of sedimentary and volcanic rocks are folded, the basement blocks are subject to shifts in various directions, and the upper crust layers are ruptured by reverse faults and thrusts. Weak deviation of observed velocities from the pattern corresponding to homogeneous compression can also be revealed, and numerical modeling of deformations of major regional tectonic structures, such as the Main Caucasus Ridge, can explain this. The deformation tensor deduced from the velocity field also exhibits the sub-meridional direction of the major compressional axes which coincides with the direction of

  1. Atmospheric response to Saharan dust deduced from ECMWF reanalysis (ERA) temperature increments

    NASA Astrophysics Data System (ADS)

    Kishcha, P.; Alpert, P.; Barkan, J.; Kirchner, I.; Machenhauer, B.

    2003-09-01

    This study focuses on the atmospheric temperature response to dust deduced from a new source of data the European Reanalysis (ERA) increments. These increments are the systematic errors of global climate models, generated in the reanalysis procedure. The model errors result not only from the lack of desert dust but also from a complex combination of many kinds of model errors. Over the Sahara desert the lack of dust radiative effect is believed to be a predominant model defect which should significantly affect the increments. This dust effect was examined by considering correlation between the increments and remotely sensed dust. Comparisons were made between April temporal variations of the ERA analysis increments and the variations of the Total Ozone Mapping Spectrometer aerosol index (AI) between 1979 and 1993. The distinctive structure was identified in the distribution of correlation composed of three nested areas with high positive correlation (>0.5), low correlation and high negative correlation (<-0.5). The innermost positive correlation area (PCA) is a large area near the center of the Sahara desert. For some local maxima inside this area the correlation even exceeds 0.8. The outermost negative correlation area (NCA) is not uniform. It consists of some areas over the eastern and western parts of North Africa with a relatively small amount of dust. Inside those areas both positive and negative high correlations exist at pressure levels ranging from 850 to 700 hPa, with the peak values near 775 hPa. Dust-forced heating (cooling) inside the PCA (NCA) is accompanied by changes in the static instability of the atmosphere above the dust layer. The reanalysis data of the European Center for Medium Range Weather Forecast (ECMWF) suggest that the PCA (NCA) corresponds mainly to anticyclonic (cyclonic) flow, negative (positive) vorticity and downward (upward) airflow. These findings are associated with the interaction between dust-forced heating/cooling and

  2. Numerical Calculation and Exergy Equations of Spray Heat Exchanger Attached to a Main Fan Diffuser

    NASA Astrophysics Data System (ADS)

    Cui, H.; Wang, H.; Chen, S.

    2015-04-01

    In the present study, the energy depreciation rule of spray heat exchanger, which is attached to a main fan diffuser, is analyzed based on the second law of thermodynamics. Firstly, the exergy equations of the exchanger are deduced. The equations are numerically calculated by the fourth-order Runge-Kutta method, and the exergy destruction is quantitatively effected by the exchanger structure parameters, working fluid (polluted air, i.e., PA; sprayed water, i.e., SW) initial state parameters and the ambient reference parameters. The results are showed: (1) heat transfer is given priority to latent transfer at the bottom of the exchanger, and heat transfer of convection and is equivalent to that of condensation in the upper. (2) With the decrease of initial temperature of SW droplet, the decrease of PA velocity or the ambient reference temperature, and with the increase of a SW droplet size or initial PA temperature, exergy destruction both increase. (3) The exergy efficiency of the exchanger is 72.1 %. An approach to analyze the energy potential of the exchanger may be provided for engineering designs.

  3. Evolutionary relationships of a plant-pathogenic mycoplasmalike organism and Acholeplasma laidlawii deduced from two ribosomal protein gene sequences.

    PubMed Central

    Lim, P O; Sears, B B

    1992-01-01

    The families within the class Mollicutes are distinguished by their morphologies, nutritional requirements, and abilities to metabolize certain compounds. Biosystematic classification of the plant-pathogenic mycoplasmalike organisms (MLOs) has been difficult because these organisms have not been cultured in vitro, and hence their nutritional requirements have not been determined nor have physiological characterizations been possible. To investigate the evolutionary relationship of the MLOs to other members of the class Mollicutes, a segment of a ribosomal protein operon was cloned and sequenced from an aster yellows-type MLO which is pathogenic for members of the genus Oenothera and from Acholeplasma laidlawii. The deduced amino acid sequence data from the rpl22 and rps3 genes indicate that the MLOs are more closely related to A. laidlawii than to animal mycoplasmas, confirming previous results from 16S rRNA sequence comparisons. This conclusion is also supported by the finding that the UGA codon is not read as a tryptophan codon in the MLO and A. laidlawii, in contrast to its usage in Mycoplasma capricolum. PMID:1556079

  4. First Measurement of the 19F(α, p)22Ne Reaction at Energies of Astrophysical Relevance

    NASA Astrophysics Data System (ADS)

    Pizzone, R. G.; D'Agata, G.; La Cognata, M.; Indelicato, I.; Spitaleri, C.; Blagus, S.; Cherubini, S.; Figuera, P.; Grassi, L.; Guardo, G. L.; Gulino, M.; Hayakawa, S.; Kshetri, R.; Lamia, L.; Lattuada, M.; Mijatović, T.; Milin, M.; Miljanić D., Đ.; Prepolec, L.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Skukan, N.; Soić, N.; Tokić, V.; Tumino, A.; Uroić, M.

    2017-02-01

    The observational 19F abundance in stellar environments systematically exceeds the predicted one, thus representing one of the unsolved challenges for stellar modeling. It is therefore clear that further investigation is needed in this field. In this work, we focus our attention on the measurement of the {}19{{F}}{(α ,p)}22{Ne} reaction in the astrophysical energy range, between 0.2 and 0.8 MeV (far below the Coulomb barrier, 3.8 MeV), as it represents the main destruction channel in He-rich environments. The lowest energy at which this reaction has been studied with direct measurements is ˜0.66 MeV, covering only the upper tail of the Gamow window, causing the reaction-rate evaluation to be based on extrapolation. To investigate lower energies, the {}19{{F}}{(α ,p)}22{Ne} reaction has been studied by means of the Trojan horse method, applied to the quasi-free {}6{Li}{{(}19{{F}},{p}22{Ne})}2{{H}} reaction at E beam = 6 MeV. The indirect cross section of the {}19{{F}}{(α ,p)}22{Ne} reaction at energies ≲1 MeV was extracted, fully covering the astrophysical region of interest and overlapping existing direct data for normalization. Several resonances have been detected for the first time inside the Gamow window. The reaction rate has been calculated, showing an increase up to a factor of 4 with respect to the literature at astrophysical temperatures. This might lead to potential major astrophysical implications.

  5. Calculating Time-Integral Quantities in Depletion Calculations

    DOE PAGES

    Isotalo, Aarno

    2016-06-02

    A method referred to as tally nuclides is presented for accurately and efficiently calculating the time-step averages and integrals of any quantities that are weighted sums of atomic densities with constant weights during the step. The method allows all such quantities to be calculated simultaneously as a part of a single depletion solution with existing depletion algorithms. Some examples of the results that can be extracted include step-average atomic densities and macroscopic reaction rates, the total number of fissions during the step, and the amount of energy released during the step. Furthermore, the method should be applicable with several depletionmore » algorithms, and the integrals or averages should be calculated with an accuracy comparable to that reached by the selected algorithm for end-of-step atomic densities. The accuracy of the method is demonstrated in depletion calculations using the Chebyshev rational approximation method. Here, we demonstrate how the ability to calculate energy release in depletion calculations can be used to determine the accuracy of the normalization in a constant-power burnup calculation during the calculation without a need for a reference solution.« less

  6. The Molecular Structure of Phenetole Studied by Microwave Spectroscopy and Quantum Chemical Calculations

    NASA Astrophysics Data System (ADS)

    Ferres, Lynn; Stahl, Wolfgang; Nguyen, Ha Vinh Lam

    2016-06-01

    A pulsed molecular beam Fourier transform microwave spectrometer operating in the frequency range 2 - 26.5 GHz was used to measure the spectrum of phenetole (ethyl phenyl ether or ethoxybenzene, C6H5OC2H5). The conformational landscape is completely determined by the orientations of the phenyl ring and the ethyl group. A two-dimensional potential energy surface was calculated at the MP2/6-311++G(d,p) level of theory. Two conformers were found: The trans conformer has a Cs symmetry, and the gauche conformer has the ethyl group tilted out of the phenyl plane by about 70°. Totally 186 rotational transitions were assigned to the more stable planar trans conformer, and fitted using a semi-rigid rotor model to measurement accuracy of 2 kHz. Highly accurate rotational and centrifugal distortion constants were determined. Several method and basis set combinations were applied to check for convergence and to compare with the experimentally deduced molecular parameters. The inertial defect of the observed conformer Δc = (Ic - Ia - Ib) = -6.718 uÅ2 confirms that the heavy atom skeleton is planar with two pairs of hydrogen atoms out of plane. All lines in the spectrum could be assigned to the trans conformer, which confirms that the gauche conformer cannot be observed under our measurement conditions. In agreement with the rather high torsional barrier of the methyl group (V3 = 1168 wn) calculated by quantum chemical methods, all assigned lines appeared sharp and no signs of splittings were observed for the methyl internal rotation.

  7. ON-LINE CALCULATOR: FORWARD CALCULATION JOHNSON ETTINGER MODEL

    EPA Science Inventory

    On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

  8. Ba 3 (Cr 0.97(1) Te 0.03(1) ) 2 TeO 9 : in Search of Jahn–Teller Distorted Cr(II) Oxide

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

    Li, Man-Rong; Deng, Zheng; Lapidus, Saul H.

    2016-10-17

    A novel 6H - type hexagonal perovskite Ba 3 (Cr 0.97(1) Te 0.03 (1 ) ) 2 TeO 9 was prepared at high pressure (6 GPa) and temperature ( 1 773 K). Both transmission electron microscopy and synchrotron powder x - ray diffraction data demonstrate that Ba 3 (Cr 0.97(1) Te 0.03(1) ) 2 TeO 9 crystallize s in P6 3 / mmc with face - shared (Cr 0.97(1) Te 0.03(1) )O 6 octahedral pairs interconnected with TeO 6 octahedra via corner - sharing. Structure analysis shows a mixed Cr 2+ /Cr 3+ valence state with ~ 10% Cr 2+more » . The existence of Cr 2+ in Ba 3 (Cr 2+ 0.10(1) Cr 3+ 0.87(1) Te 6+ 0.03 ) 2 TeO 9 is further evidenced by x - ray absorption near edge spectr oscopy . Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy - state curvature at low temperature. In this work, the o ctahedral Cr 2+ O 6 component is stabilized in an oxide material for the first time ; the expected Jahn - Teller distortion of high - spin ( d 4 ) Cr 2+ is not found , which is attributed to the small proportion of Cr 2+ (~ 10%) and the face - sharing arrangement of CrO 6 octahedral pairs, that structu rally dis favor axial distortion.« less

  9. The 20Ne(d,p) 21Ne Transfer Reaction in Relation to the s-Process Abundances

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

    Nsangu, C. T.; Laird, A. M.; Parikh, A.

    2016-01-01

    A study of the Ne-20(d,p)Ne-21 transfer reaction was performed using the Quadrupole Dipole Dipole Dipole (Q3D) magnetic spectrograph in Garching, Germany. The experiment probed excitation energies in Ne-21 ranging from 6.9 MeV to 8.5 MeV. The aim was to investigate the spectroscopic information of Ne-21 within the Gamow window of core helium burning in massive stars. Further information in this region will help reduce the uncertainties on the extrapolation down to Gamow window cross sections of the O-17(alpha,gamma)Ne-21 reaction. In low metallicity stars, this reaction has a direct impact on s-process abundances by determining the fate of O-16 as eithermore » a neutron poison or a neutron absorber. The experiment used a 22-MeV deuteron beam, with intensities varying from 0.5-1 mu A, and an implanted target of Ne-20 of 7 mu g/cm(2) in 40 mu g/cm(2) carbon foils. Sixteen Ne-21 peaks have been identified in the E-x = 6.9-8.5 MeV range, of which only thirteen peaks correspond to known states. Only the previously-known E-x = 7.960 MeV state was observed within the Gamow window.« less

  10. Geodynamical behavior of some active area in Egypt, as deduced from geodetic and gravity data

    NASA Astrophysics Data System (ADS)

    Issawy, E.; Mrlina, J.; Radwan, A.; Mahmoud, S.; Rayan, A.

    2009-04-01

    Temporal gravity variation in parallel with the space geodetic technique (GPS) had been started in Egypt for real campaigns in 1997. The geodetic networks around the High Dam, Aswan area was the first net to be measured. More than five measurement epochs were performed. The results had a considerable limit of coincidence between gravity and GPS observations. The trend of gravity changes indicated a positive stress and had the vertical displacement observed for leveling points. The lowest gravity changes along Kalabsha fault reflect extensional and/or strike component of the stress field. Also, the areas around Cairo (Greater Cairo) and due to the occurrence of an earthquake of 1992, such type of measurements were useful for monitoring the recent activity. The data of the geodetic network around Cairo after 5 campaigns showed that, the estimated horizontal velocities for almost all points are 5.5± mm/year in approximately NW-SE direction. The non-tidal changes can explain the dynamic process within the upper crust related to the development of local stress conditions. The trends of gravity changes are more or less coincident with that deduced from GPS deformation analysis and the occurrence of the main shocks in the area. In additions, in 2005 the geodetic network around the southern part of Sinai and the Gulf of Suez were established. One campaign of measurements had been performed and the gravity values were obtained.

  11. Calculation of exchange integrals and Curie temperature for La-substituted barium hexaferrites.

    PubMed

    Wu, Chuanjian; Yu, Zhong; Sun, Ke; Nie, Jinlan; Guo, Rongdi; Liu, Hai; Jiang, Xiaona; Lan, Zhongwen

    2016-10-31

    As the macro behavior of the strength of exchange interaction, state of the art of Curie temperature T c , which is directly proportional to the exchange integrals, makes sense to the high-frequency and high-reliability microwave devices. Challenge remains as finding a quantitative way to reveal the relationship between the Curie temperature and the exchange integrals for doped barium hexaferrites. Here in this report, for La-substituted barium hexaferrites, the electronic structure has been determined by the density functional theory (DFT) and generalized gradient approximation (GGA). By means of the comparison between the ground and relative state, thirteen exchange integrals have been calculated as a function of the effective value U eff . Furthermore, based on the Heisenberg model, the molecular field approximation (MFA) and random phase approximation (RPA), which provide an upper and lower bound of the Curie temperature T c , have been adopted to deduce the Curie temperature T c . In addition, the Curie temperature T c derived from the MFA are coincided well with the experimental data. Finally, the strength of superexchange interaction mainly depends on 2b-4f 1 , 4f 2 -12k, 2a-4f 1 , and 4f 1 -12k interactions.

  12. The homologue of mannose-binding lectin in the carp family Cyprinidae is expressed at high level in spleen, and the deduced primary structure predicts affinity for galactose.

    PubMed

    Vitved, L; Holmskov, U; Koch, C; Teisner, B; Hansen, S; Salomonsen, J; Skjødt, K

    2000-09-01

    Mannose-binding lectin (MBL) participates in the innate immune system as an activator of the complement system and as an opsonin after binding to certain carbohydrate structures on microorganisms. We isolated and characterized cDNA transcripts encoding an MBL homologue from three members of the carp family Cyprinidae, the zebrafish Danio rerio, the goldfish Carassius auratus, and the carp Cyprinus carpio. The carp and zebrafish transcripts contain two polyadenylation sites and RT-PCR on mRNA from carp tissues revealed the carp transcript to be most prominently expressed in the spleen. The deduced mature proteins contain 228 or 233 amino acids with a short N-terminal segment containing a single conserved cysteine expected to form interchain disulfide bridges, a collagen domain interrupted by four amino acids between two glycine residues, a neck region predicted to form an alpha-helical coiled-coil structure, and a C-terminal carbohydrate recognition domain (CRD). Several of the structurally important residues in the CRD are conserved, but the residues known to interact with the calcium ion and hydroxyl groups of the carbohydrate ligand are different. The amino acid motif EPN, important for mannose specificity, was QPD in the Cyprinidae homologue, suggesting specificity for galactose instead. The identity between the deduced amino acid sequences is more than 90% between the carp and the goldfish and 68% and 65% between these two species, respectively, and the zebrafish. The identity with bird and mammalian MBLs ranges from 28 to 33%.

  13. Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles

    NASA Astrophysics Data System (ADS)

    Wang, Yan-Hua; Halik, Marcus; Wang, Chuan-Kui; Marder, Seth R.; Luo, Yi

    2005-11-01

    The vibronic profiles of one-photon absorption spectra of dioxaborine heterocycles in gas phase and solution have been calculated at the Hartree-Fock and density-functional-theory levels. The polarizable continuum model has been applied to simulate the solvent effect, while the linear coupling model is used to compute the Franck-Condon and Herzberg-Teller contributions. It is found that a good agreement between theory and experiment can be achieved when the solvent effect and electron correlation are taken into account simultaneously. For the first excited charge-transfer state, the maximum of its Herzberg-Teller profile is blueshifted from that of the Franck-Condon profile. The shifted energy is found to be around 0.2eV, which agrees well with the measured energy difference between two- and one-photon absorptions of the first excited state.

  14. Jet cooled cavity ringdown spectroscopy of the A ˜ 2 E ″ ← X ˜ 2 A2 ' transition of the NO3 radical

    NASA Astrophysics Data System (ADS)

    Codd, Terrance; Chen, Ming-Wei; Roudjane, Mourad; Stanton, John F.; Miller, Terry A.

    2015-05-01

    The A ˜ 2 E ″ ← X ˜ 2 A2 ' spectrum of NO3 radical from 7550 cm-1 to 9750 cm-1 has been recorded and analyzed. Our spectrum differs from previously recorded spectra of this transition due to jet-cooling, which narrows the rotational contours and eliminates spectral interference from hot bands. Assignments of numerous vibronic features can be made based on both band contour and position including the previously unassigned 30 1 band and several associated combination bands. We have analyzed our spectrum first with an independent anharmonic oscillator model and then by a quadratic Jahn-Teller vibronic coupling model. The fit achieved with the quadratic Jahn-Teller model is excellent, but the potential energy surface obtained with the fitted parameters is in only qualitative agreement with one obtained from ab initio calculations.

  15. cDNA, deduced polypeptide structure and chromosomal assignment of human pulmonary surfactant proteolipid, SPL(pVal)

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

    Glasser, S.W.; Korfhagen, T.R.; Weaver, T.E.

    1988-01-05

    In hyaline membrane disease of premature infants, lack of surfactant leads to pulmonary atelectasis and respiratory distress. Hydrophobic surfactant proteins of M/sub r/ = 5000-14,000 have been isolated from mammalian surfactants which enhance the rate of spreading and the surface tension lowering properties of phospholipids during dynamic compression. The authors have characterized the amino-terminal amino acid sequence of pulmonary proteolipids from ether/ethanol extracts of bovine, canine, and human surfactant. Two distinct peptides were identified and termed SPL(pVal) and SPL(Phe). An oligonucleotide probe based on the valine-rich amino-terminal amino acid sequence of SPL(pVal) was utilized to isolate cDNA and genomic DNAmore » encoding the human protein, termed surfactant proteolipid SPL(pVal) on the basis of its unique polyvaline domain. The primary structure of a precursor protein of 20,870 daltons, containing the SPL(pVal) peptide, was deduced from the nucleotide sequence of the cDNAs. Hybrid-arrested translation and immunoprecipitation of labeled translation products of human mRNA demonstrated a precursor protein, the active hydrophobic peptide being produced by proteolytic processing. Two classes of cDNAs encoding SPL(pVal) were identified. Human SPL(pVal) mRNA was more abundant in the adult than in fetal lung. The SPL(pVal) gene locus was assigned to chromosome 8.« less

  16. Effect of temperature on the electronic instability and the crystalline phase change at low temperature of V3Si type compounds

    NASA Technical Reports Server (NTRS)

    Labbe, J.; Friedel, J.

    1977-01-01

    Equations assuming a Jahn-Teller type effect for the d band electrons in V3Si compounds are given, and the results of free-energy change calculations by using some approximations based on these equations are depicted. The tetragonal structure is converted to cubic as the temperature rises past T sub m which is calculated as 13 K. by the Batterman-Barrett method and is measured to be 20-5 K. Other parameters such as change of C sub p with temperature are predicted better.

  17. Zero kinetic energy photoelectron spectroscopy of triphenylene.

    PubMed

    Harthcock, Colin; Zhang, Jie; Kong, Wei

    2014-06-28

    We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S1 of the neutral molecule is of A1' symmetry and is therefore electric dipole forbidden in the D3h group. Consequently, there are no observable Franck-Condon allowed totally symmetric a1' vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E' third electronically excited state S3. The assignment of all vibrational bands as e' symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C2v and resulting in two nearly degenerate electronic states of A2 and B1 symmetry. Here we follow a crude treatment by assuming that all e' vibrational modes resolve into b2 and a1 modes in the C2v molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63 365 ± 7 cm(-1). The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.

  18. Eigenfunction Expansions and Lippmann-Schwinger Formulas

    NASA Astrophysics Data System (ADS)

    Gadella, M.; Kielanowski, P.

    2011-12-01

    In this paper we discuss in the mathematically precise way the definition of a resonance, that requires two Hamiltonians (free and perturbed), the notion of Gamow vectors, Lippmann-Schwinger equations and the analytic properties of their solutions in the context of the Gamow vectors. Next we discuss the eigenfunction expansions in the presence of resonances. In the case of the Friedrichs model, the precise form of these generalized eigenfunctions has been given in the literature. Although there are two families of eigenfunction expansions which are related through the time reversal operator, free and perturbed Hamiltonians are time invariant. On the other hand, PT symmetries play no role in this discussion. Our discussion clarifies the results of the paper [1], which contains imprecise or even wrong statements.

  19. Neutron density distributions of {sup 204,206,208}Pb deduced via proton elastic scattering at E{sub p}=295 MeV

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

    Zenihiro, J.; Sakaguchi, H.; Murakami, T.

    Cross sections and analyzing powers for polarized proton elastic scattering from {sup 58}Ni, and {sup 204,206,208}Pb were measured at intermediate energy E{sub p}=295 MeV. An effective relativistic Love-Franey interaction is tuned to reproduce {sup 58}Ni scattering data within the framework of the relativistic impulse approximation. The neutron densities of the lead isotopes are deduced using model-independent sum-of-Gaussians distributions. Their error envelopes are estimated by a new {chi}{sup 2} criterion including uncertainties associated with the reaction model. The systematic behaviors of extracted error envelopes of the neutron density distributions in {sup 204,206,208}Pb are presented. The extracted neutron and proton density distributionmore » of {sup 208}Pb gives a neutron skin thickness of {Delta}r{sub np}=0.211{sub -0.063}{sup +0.054} fm.« less

  20. Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows

    NASA Astrophysics Data System (ADS)

    Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.

    2018-03-01

    The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.

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

    Jian, Tian; Lopez, Gary V.; Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu

    We report the observation of a manganese-centered tubular boron cluster (MnB{sub 16}{sup −}), which is characterized by photoelectron spectroscopy and ab initio calculations. The relatively simple pattern of the photoelectron spectrum indicates the cluster to be highly symmetric. Ab initio calculations show that MnB{sub 16}{sup −} has a Mn-centered tubular structure with C{sub 4v} symmetry due to first-order Jahn-Teller effect, while neutral MnB{sub 16} reduces to C{sub 2v} symmetry due to second-order Jahn-Teller effect. In MnB{sub 16}{sup −}, two unpaired electrons are observed, one on the Mn 3d{sub z{sup 2}} orbital and another on the B{sub 16} tube, making itmore » an unusual biradical. Strong covalent bonding is found between the Mn 3d orbitals and the B{sub 16} tube, which helps to stabilize the tubular structure. The current result suggests that there may exist a whole class of metal-stabilized tubular boron clusters. These metal-doped boron clusters provide a new bonding modality for transition metals, as well as a new avenue to design boron-based nanomaterials.« less

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

    Bhattacharyya, Swarnendu, E-mail: swarnendu.bhattacharyya@ch.tum.de; Domcke, Wolfgang, E-mail: wolfgang.domcke@ch.tum.de; Dai, Zuyang

    A diabatic three-sheeted six-dimensional potential-energy surface has been constructed for the ground state and the lowest excited state of the PH{sub 3}{sup +} cation. Coupling terms of Jahn-Teller and pseudo-Jahn-Teller origin up to eighth order had to be included to describe the pronounced anharmonicity of the surface due to multiple conical intersections. The parameters of the diabatic Hamiltonian have been optimized by fitting the eigenvalues of the potential-energy matrix to ab initio data calculated at the CASSCF/MRCI level employing the correlation-consistent triple-ζ basis. The theoretical photoelectron spectrum of phosphine and the non-adiabatic nuclear dynamics of the phosphine cation have beenmore » computed by propagating nuclear wave packets with the multiconfiguration time-dependent Hartree method. The theoretical photoelectron bands obtained by Fourier transformation of the autocorrelation function agree well with the experimental results. It is shown that the ultrafast non-radiative decay dynamics of the first excited state of PH{sub 3}{sup +} is dominated by the exceptionally strong Jahn-Teller coupling of the asymmetric bending vibrational mode together with a hyperline of conical intersections with the electronic ground state induced by the umbrella mode. Time-dependent population probabilities have been computed for the three adiabatic electronic states. The non-adiabatic Jahn-Teller dynamics within the excited state takes place within ≈5 fs. Almost 80% of the excited-state population decay to the ground state within about 10 fs. The wave packets become highly complex and delocalized after 20 fs and no further significant transfer of electronic population seems to occur up to 100 fs propagation time.« less

  3. Geochemical reanalysis of historical U.S. Geological Survey sediment samples from the Kougarok area, Bendeleben and Teller quadrangles, Seward Peninsula, Alaska

    USGS Publications Warehouse

    Werdon, Melanie B.; Granitto, Matthew; Azain, Jaime S.

    2015-01-01

    The State of Alaska’s Strategic and Critical Minerals (SCM) Assessment project, a State-funded Capital Improvement Project (CIP), is designed to evaluate Alaska’s statewide potential for SCM resources. The SCM Assessment is being implemented by the Alaska Division of Geological & Geophysical Surveys (DGGS), and involves obtaining new airborne-geophysical, geological, and geochemical data. As part of the SCM Assessment, thousands of historical geochemical samples from DGGS, U.S. Geological Survey (USGS), and U.S. Bureau of Mines archives are being reanalyzed by DGGS using modern, quantitative, geochemical-analytical methods. The objective is to update the statewide geochemical database to more clearly identify areas in Alaska with SCM potential. The USGS is also undertaking SCM-related geologic studies in Alaska through the federally funded Alaska Critical Minerals cooperative project. DGGS and USGS share the goal of evaluating Alaska’s strategic and critical minerals potential and together created a Letter of Agreement (signed December 2012) and a supplementary Technical Assistance Agreement (#14CMTAA143458) to facilitate the two agencies’ cooperative work. Under these agreements, DGGS contracted the USGS in Denver to reanalyze historical USGS sediment samples from Alaska. For this report, DGGS funded reanalysis of 302 historical USGS sediment samples from the statewide Alaska Geochemical Database Version 2.0 (AGDB2; Granitto and others, 2013). Samples were chosen from the Kougarok River drainage as well as smaller adjacent drainages in the Bendeleben and Teller quadrangles, Seward Peninsula, Alaska (fig. 1). The USGS was responsible for sample retrieval from the National Geochemical Sample Archive (NGSA) in Denver, Colorado through the final quality assurance/quality control (QA/QC) of the geochemical analyses obtained through the USGS contract lab. The new geochemical data are published in this report as a coauthored DGGS report, and will be incorporated

  4. Entrainment and cloud evaporation deduced from the stable isotope chemistry of clouds during ORACLES

    NASA Astrophysics Data System (ADS)

    Noone, D.; Henze, D.; Rainwater, B.; Toohey, D. W.

    2017-12-01

    The magnitude of the influence of biomass burning aerosols on cloud and rain processes is controlled by a series of processes which are difficult to measure directly. A consequence of this limitation is the emergence of significant uncertainty in the representation of cloud-aerosol interactions in models and the resulting cloud radiative forcing. Interaction between cloud and the regional atmosphere causes evaporation, and the rate of evaporation at cloud top is controlled in part by entrainment of air from above which exposes saturated cloud air to drier conditions. Similarly, the size of cloud droplets also controls evaporation rates, which in turn is linked to the abundance of condensation nuclei. To quantify the dependence of cloud properties on biomass burning aerosols the dynamic relationship between evaporation, drop size and entrainment on aerosol state, is evaluated for stratiform clouds in the southeast Atlantic Ocean. These clouds are seasonally exposed to biomass burning plumes from agricultural fires in southern Africa. Measurements of the stable isotope ratios of cloud water and total water are used to deduce the disequilibrium responsible for evaporation within clouds. Disequilibrium is identified by the relationship between hydrogen and oxygen isotope ratios of water vapor and cloud water in and near clouds. To obtain the needed information, a custom-built, dual inlet system was deployed alongside isotopic gas analyzers on the NASA Orion aircraft as part of the Observations of Aerosols above Clouds and their Interactions (ORACLES) campaign. The sampling system obtains both total water and cloud liquid content for the population of droplets above 7 micrometer diameter. The thermodynamic modeling required to convert the observed equilibrium and kinetic isotopic is linked to evaporation and entrainment is described, and the performance of the measurement system is discussed.

  5. Characteristics of Turbulent Airflow Deduced from Rapid Surface Thermal Fluctuations: An Infrared Surface Anemometer

    NASA Astrophysics Data System (ADS)

    Aminzadeh, Milad; Breitenstein, Daniel; Or, Dani

    2017-12-01

    The intermittent nature of turbulent airflow interacting with the surface is readily observable in fluctuations of the surface temperature resulting from the thermal imprints of eddies sweeping the surface. Rapid infrared thermography has recently been used to quantify characteristics of the near-surface turbulent airflow interacting with the evaporating surfaces. We aim to extend this technique by using single-point rapid infrared measurements to quantify properties of a turbulent flow, including surface exchange processes, with a view towards the development of an infrared surface anemometer. The parameters for the surface-eddy renewal (α and β ) are inferred from infrared measurements of a single-point on the surface of a heat plate placed in a wind tunnel with prescribed wind speeds and constant mean temperatures of the surface. Thermally-deduced parameters are in agreement with values obtained from standard three-dimensional ultrasonic anemometer measurements close to the plate surface (e.g., α = 3 and β = 1/26 (ms)^{-1} for the infrared, and α = 3 and β = 1/19 (ms)^{-1} for the sonic-anemometer measurements). The infrared-based turbulence parameters provide new insights into the role of surface temperature and buoyancy on the inherent characteristics of interacting eddies. The link between the eddy-spectrum shape parameter α and the infrared window size representing the infrared field of view is investigated. The results resemble the effect of the sampling height above the ground in sonic anemometer measurements, which enables the detection of larger eddies with higher values of α . The physical basis and tests of the proposed method support the potential for remote quantification of the near-surface momentum field, as well as scalar-flux measurements in the immediate vicinity of the surface.

  6. Nitric oxide concentration near the mesopause as deduced from ionospheric absorption measurements

    NASA Astrophysics Data System (ADS)

    Lastovicka, J.

    The upper-D-region NO concentration is calculated on the basis of published 2775-kHz-absorption, Lyman-alpha (OSO-5), and X-ray (Solrad-9) data obtained over Central Europe in June-August 1969, 1970, and 1972. Ionization-rate and radio-wave-absorption profiles for solar zenith angles of 60, 70 and 40 deg are computed, presented graphically, and compared with model calculations to derive the NO-concentration correction coefficients necessary to make the Lyman-alpha/X-ray flux ratios of the models of Meira (1971), Baker et al. (1977), Tohmatsu and Iwagami (1976), and Tisone (1973) agree with the observed ratios. Values of the corrected NO concentration include 6.5 and 8.5 x 10 to the 13th/cu m at 78 and 90 km, respectively. The values are shown to be higher than those of standard models but within the range of observed concentrations.

  7. Measurement of the β-asymmetry parameter of Cu67 in search for tensor-type currents in the weak interaction

    NASA Astrophysics Data System (ADS)

    Soti, G.; Wauters, F.; Breitenfeldt, M.; Finlay, P.; Herzog, P.; Knecht, A.; Köster, U.; Kraev, I. S.; Porobic, T.; Prashanth, P. N.; Towner, I. S.; Tramm, C.; Zákoucký, D.; Severijns, N.

    2014-09-01

    Background: Precision measurements at low energy search for physics beyond the standard model in a way complementary to searches for new particles at colliders. In the weak sector the most general β-decay Hamiltonian contains, besides vector and axial-vector terms, also scalar, tensor, and pseudoscalar terms. Current limits on the scalar and tensor coupling constants from neutron and nuclear β decay are on the level of several percent. Purpose: Extracting new information on tensor coupling constants by measuring the β-asymmetry parameter in the pure Gamow-Teller decay of Cu67, thereby testing the V-A structure of the weak interaction. Method: An iron sample foil into which the radioactive nuclei were implanted was cooled down to mK temperatures in a 3He-4He dilution refrigerator. An external magnetic field of 0.1 T, in combination with the internal hyperfine magnetic field, oriented the nuclei. The anisotropic β radiation was observed with planar high-purity germanium detectors operating at a temperature of about 10 K. An on-line measurement of the β asymmetry of Cu68 was performed as well for normalization purposes. Systematic effects were investigated using geant4 simulations. Results: The experimental value, Ã=0.587(14), is in agreement with the standard model value of 0.5991(2) and is interpreted in terms of physics beyond the standard model. The limits obtained on possible tensor-type charged currents in the weak interaction Hamiltonian are -0.045<(CT+CT')/CA<0.159 (90% C.L.). Conclusions: The obtained limits are comparable to limits from other correlation measurements in nuclear β decay and contribute to further constraining tensor coupling constants.

  8. Decadal variability in core surface flows deduced from geomagnetic observatory monthly means

    NASA Astrophysics Data System (ADS)

    Whaler, K. A.; Olsen, N.; Finlay, C. C.

    2016-10-01

    Monthly means of the magnetic field measurements at ground observatories are a key data source for studying temporal changes of the core magnetic field. However, when they are calculated in the usual way, contributions of external (magnetospheric and ionospheric) origin may remain, which make them less favourable for studying the field generated by dynamo action in the core. We remove external field predictions, including a new way of characterizing the magnetospheric ring current, from the data and then calculate revised monthly means using robust methods. The geomagnetic secular variation (SV) is calculated as the first annual differences of these monthly means, which also removes the static crustal field. SV time-series based on revised monthly means are much less scattered than those calculated from ordinary monthly means, and their variances and correlations between components are smaller. On the annual to decadal timescale, the SV is generated primarily by advection in the fluid outer core. We demonstrate the utility of the revised monthly means by calculating models of the core surface advective flow between 1997 and 2013 directly from the SV data. One set of models assumes flow that is constant over three months; such models exhibit large and rapid temporal variations. For models of this type, less complex flows achieve the same fit to the SV derived from revised monthly means than those from ordinary monthly means. However, those obtained from ordinary monthly means are able to follow excursions in SV that are likely to be external field contamination rather than core signals. Having established that we can find models that fit the data adequately, we then assess how much temporal variability is required. Previous studies have suggested that the flow is consistent with torsional oscillations (TO), solid body-like oscillations of fluid on concentric cylinders with axes aligned along the Earth's rotation axis. TO have been proposed to explain decadal

  9. The four hexamerin genes in the honey bee: structure, molecular evolution and function deduced from expression patterns in queens, workers and drones.

    PubMed

    Martins, Juliana R; Nunes, Francis M F; Cristino, Alexandre S; Simões, Zilá L P; Bitondi, Márcia M G

    2010-03-26

    Hexamerins are hemocyanin-derived proteins that have lost the ability to bind copper ions and transport oxygen; instead, they became storage proteins. The current study aimed to broaden our knowledge on the hexamerin genes found in the honey bee genome by exploring their structural characteristics, expression profiles, evolution, and functions in the life cycle of workers, drones and queens. The hexamerin genes of the honey bee (hex 70a, hex 70b, hex 70c and hex 110) diverge considerably in structure, so that the overall amino acid identity shared among their deduced protein subunits varies from 30 to 42%. Bioinformatics search for motifs in the respective upstream control regions (UCRs) revealed six overrepresented motifs including a potential binding site for Ultraspiracle (Usp), a target of juvenile hormone (JH). The expression of these genes was induced by topical application of JH on worker larvae. The four genes are highly transcribed by the larval fat body, although with significant differences in transcript levels, but only hex 110 and hex 70a are re-induced in the adult fat body in a caste- and sex-specific fashion, workers showing the highest expression. Transcripts for hex 110, hex 70a and hex70b were detected in developing ovaries and testes, and hex 110 was highly transcribed in the ovaries of egg-laying queens. A phylogenetic analysis revealed that HEX 110 is located at the most basal position among the holometabola hexamerins, and like HEX 70a and HEX 70c, it shares potential orthology relationship with hexamerins from other hymenopteran species. Striking differences were found in the structure and developmental expression of the four hexamerin genes in the honey bee. The presence of a potential binding site for Usp in the respective 5' UCRs, and the results of experiments on JH level manipulation in vivo support the hypothesis of regulation by JH. Transcript levels and patterns in the fat body and gonads suggest that, in addition to their primary

  10. Deducing Electronic Unit Internal Response During a Vibration Test Using a Lumped Parameter Modeling Approach

    NASA Technical Reports Server (NTRS)

    Van Dyke, Michael B.

    2014-01-01

    During random vibration testing of electronic boxes there is often a desire to know the dynamic response of certain internal printed wiring boards (PWBs) for the purpose of monitoring the response of sensitive hardware or for post-test forensic analysis in support of anomaly investigation. Due to restrictions on internally mounted accelerometers for most flight hardware there is usually no means to empirically observe the internal dynamics of the unit, so one must resort to crude and highly uncertain approximations. One common practice is to apply Miles Equation, which does not account for the coupled response of the board in the chassis, resulting in significant over- or under-prediction. This paper explores the application of simple multiple-degree-of-freedom lumped parameter modeling to predict the coupled random vibration response of the PWBs in their fundamental modes of vibration. A simple tool using this approach could be used during or following a random vibration test to interpret vibration test data from a single external chassis measurement to deduce internal board dynamics by means of a rapid correlation analysis. Such a tool might also be useful in early design stages as a supplemental analysis to a more detailed finite element analysis to quickly prototype and analyze the dynamics of various design iterations. After developing the theoretical basis, a lumped parameter modeling approach is applied to an electronic unit for which both external and internal test vibration response measurements are available for direct comparison. Reasonable correlation of the results demonstrates the potential viability of such an approach. Further development of the preliminary approach presented in this paper will involve correlation with detailed finite element models and additional relevant test data.

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

    Libby, S B

    Much has been written about Edward TEller, but little of it is objective. Given, on the one hand, his position as one of the most inventive theoretical physicists of the 20th century, and on the other, his central role in the development and advocacy of thermonuclear weapons, one might imagine it impossible at this point in history to write a scholarly, impartial account of Teller's life and his impact. Now, however, Istvan Hargittai, a prominent Hungarian physical chemist and historian of science, has written a balanced, thoughtful, and beautifully research biography that comes closest. Hargittai is uniquely qualified for thismore » difficult task. Coming a generation and a half later from a similar Hungarian-Jewish background, Hargittai understands well the influences and terrible events that shaped Teller. The advent of virulent, political anti-Semitism, first in Hungary and then in Germany, made Teller twice a refugee. Both Teller and Hargittai lost close family in the Holocaust; Hargittai was himself liberated from a Nazi concentration camp as a child. While Teller was in the US by then, his and Hargittai's surviving family members in Hungary suffered mistreatment at the hands of the postwar Hungarian Communist dictatorship. Hargittai's informed Eastern European perspective also provides a fresh viewpoint to the cold war context of the second half of Teller's career. Furthermore, Hargittai's own scientific work in molecular structure clearly makes him appreciate of Teller's breakthroughs in that field in the 1930s.« less

  12. Usability of a virtual reality environment simulating an automated teller machine for assessing and training persons with acquired brain injury.

    PubMed

    Fong, Kenneth N K; Chow, Kathy Y Y; Chan, Bianca C H; Lam, Kino C K; Lee, Jeff C K; Li, Teresa H Y; Yan, Elaine W H; Wong, Asta T Y

    2010-04-30

    This study aimed to examine the usability of a newly designed virtual reality (VR) environment simulating the operation of an automated teller machine (ATM) for assessment and training. Part I involved evaluation of the sensitivity and specificity of a non-immersive VR program simulating an ATM (VR-ATM). Part II consisted of a clinical trial providing baseline and post-intervention outcome assessments. A rehabilitation hospital and university-based teaching facilities were used as the setting. A total of 24 persons in the community with acquired brain injury (ABI)--14 in Part I and 10 in Part II--made up the participants in the study. In Part I, participants were randomized to receive instruction in either an "early" or a "late" VR-ATM program and were assessed using both the VR program and a real ATM. In Part II, participants were assigned in matched pairs to either VR training or computer-assisted instruction (CAI) teaching programs for six 1-hour sessions over a three-week period. Two behavioral checklists based on activity analysis of cash withdrawals and money transfers using a real ATM were used to measure average reaction time, percentage of incorrect responses, level of cues required, and time spent as generated by the VR system; also used was the Neurobehavioral Cognitive Status Examination. The sensitivity of the VR-ATM was 100% for cash withdrawals and 83.3% for money transfers, and the specificity was 83% and 75%, respectively. For cash withdrawals, the average reaction time of the VR group was significantly shorter than that of the CAI group (p = 0.021). We found no significant differences in average reaction time or accuracy between groups for money transfers, although we did note positive improvement for the VR-ATM group. We found the VR-ATM to be usable as a valid assessment and training tool for relearning the use of ATMs prior to real-life practice in persons with ABI.

  13. Usability of a virtual reality environment simulating an automated teller machine for assessing and training persons with acquired brain injury

    PubMed Central

    2010-01-01

    Objective This study aimed to examine the usability of a newly designed virtual reality (VR) environment simulating the operation of an automated teller machine (ATM) for assessment and training. Design Part I involved evaluation of the sensitivity and specificity of a non-immersive VR program simulating an ATM (VR-ATM). Part II consisted of a clinical trial providing baseline and post-intervention outcome assessments. Setting A rehabilitation hospital and university-based teaching facilities were used as the setting. Participants A total of 24 persons in the community with acquired brain injury (ABI) - 14 in Part I and 10 in Part II - made up the participants in the study. Interventions In Part I, participants were randomized to receive instruction in either an "early" or a "late" VR-ATM program and were assessed using both the VR program and a real ATM. In Part II, participants were assigned in matched pairs to either VR training or computer-assisted instruction (CAI) teaching programs for six 1-hour sessions over a three-week period. Outcome Measures Two behavioral checklists based on activity analysis of cash withdrawals and money transfers using a real ATM were used to measure average reaction time, percentage of incorrect responses, level of cues required, and time spent as generated by the VR system; also used was the Neurobehavioral Cognitive Status Examination. Results The sensitivity of the VR-ATM was 100% for cash withdrawals and 83.3% for money transfers, and the specificity was 83% and 75%, respectively. For cash withdrawals, the average reaction time of the VR group was significantly shorter than that of the CAI group (p = 0.021). We found no significant differences in average reaction time or accuracy between groups for money transfers, although we did note positive improvement for the VR-ATM group. Conclusion We found the VR-ATM to be usable as a valid assessment and training tool for relearning the use of ATMs prior to real-life practice in persons

  14. The 10B(p,α)7Be S(E)-factor from 5 keV to 1.5 MeV using the Trojan Horse Method

    NASA Astrophysics Data System (ADS)

    Puglia, Sebastiana Maria Regina; Spitaleri, Claudio; La Cognata, Marco; Lamia, Livio; Broggini, Carlo; Caciolli, Antonio; Carlin, Nelson; Cherubini, Silvio; Cvetinovic, Alexandra; D'Agata, Giuseppe; Dell'aquila, Daniele; Depalo, Rosanna; Gulino, Marisa; Guardo, Giovanni Luca; Indelicato, Iolanda; Lombardo, Ivano; Menegazzo, Roberto; Munhoz, Marcelo Gimenez; Pizzone, Rosario Gianluca; Rapisarda, Giuseppe Gabriele; Rigato, Valentino; Romano, Stefano; Sergi, Maria Letizia; Souza, Francisco; Sparta, Roberta; Tudisco, Salvo; Tumino, Aurora

    2018-01-01

    The 10B(p,α)7Be reaction is the main responsible for the 10B destruction in stellar interior [1]. In such environments this p-capture process occurs at a Gamow energy of 10 keV and takes places mainly through a resonant state (Ex = 8.701 MeV) of the compound 11C nucleus. Thus a resonance right in the region of the Gamow peak is expected to significantly influence the behavior of the astrophysical S(E)-factor. The 10B(p,α)7Be reaction was studied via the Trojan Horse Method (THM) applied to the 2H(10B,α7Be)n in order to extract the astrophysical S(E)-factor in a wide energy range from 5 keV to 1.5 MeV.

  15. Airplane stability calculations with a card programmable pocket calculator

    NASA Technical Reports Server (NTRS)

    Sherman, W. L.

    1978-01-01

    Programs are presented for calculating airplane stability characteristics with a card programmable pocket calculator. These calculations include eigenvalues of the characteristic equations of lateral and longitudinal motion as well as stability parameters such as the time to damp to one-half amplitude or the damping ratio. The effects of wind shear are included. Background information and the equations programmed are given. The programs are written for the International System of Units, the dimensional form of the stability derivatives, and stability axes. In addition to programs for stability calculations, an unusual and short program is included for the Euler transformation of coordinates used in airplane motions. The programs have been written for a Hewlett Packard HP-67 calculator. However, the use of this calculator does not constitute an endorsement of the product by the National Aeronautics and Space Administration.

  16. Storytelling as an age-dependent skill: oral recall of orally presented stories.

    PubMed

    Mergler, N L; Faust, M; Goldstein, M D

    During experiment 1, three taped prose passages read by college student, middle-aged, or old tellers were orally recalled by college students in an incidental memory paradigm. More story units were remembered as the age of the teller increased (r = +.642, p less than .05). Comparison of these results, with prior research using written, as opposed to oral, presentation and recall of these stories, showed no differences in specific story units remembered. Teller age predicted recall on the two "storied" passages. These passages elicited more favorable comments from listeners when read by older tellers. The third, descriptive passage was less favorably regarded by listeners hearing older tellers. During experiment 2, taped storied passages read by middle-aged tellers were falsely attributed to young, middle-aged, or old persons before the college students listened. Incidental recall did not show an age of teller effect in this case, but the listener's evaluation of the speaker exhibited age-dependent stereotypes. It was concluded that 1) physical qualities of older voices lead to more effective oral transmission; 2) that one expects to receive certain types of oral information from older persons; and 3) that a mismatch between physical vocal quality and age attribution effects evaluation of the speaker, not recall of the information.

  17. Speed dependence of CH335Cl-O2 line-broadening parameters probed on rotational transitions: Measurements and semi-classical calculations

    NASA Astrophysics Data System (ADS)

    Buldyreva, J.; Margulès, L.; Motiyenko, R. A.; Rohart, F.

    2013-11-01

    Relaxation parameters for K-components (K≤6) of six J→J+1 rotational transitions (J=6, 10, 17, 22, 31 and 33) of CH335Cl perturbed by O2 are measured at room temperature with Voigt, speed-dependent Voigt and Galatry profiles in order to probe the speed-dependence effects. With respect to the previous study of CH335Cl-N2 system [Guinet et al., J Quant Spectrosc Radiat Transfer 2012;113:1113], higher active-gas pressures are reached, providing better signal-to-noise ratios, and the exact expression of the Beer-Lambert law is introduced in the fitting procedure, leading, among other advantages, to much more realistic low-pressure results. The broadening parameters of the considered lines are also computed by a semi-classical method for various relative velocities of colliders and the powers characterizing the dependence of the collisional cross-sections on relative speeds are deduced as functions of the rotational numbers J and K. Additional calculations performed with the Maxwell-Boltzmann distribution of velocities show no significant difference with the earlier results [Buldyreva et al., Phys Chem Chem Phys 2011;13:20326] obtained within the mean thermal velocity approximation. Weighted sums of the presently measured Voigt-profile O2-broadening parameters and of the previously published N2-broadening ones are calculated to yield experimental air-broadening coefficients for spectroscopic databases.

  18. The Sidebands of the Equatorial Electrojet: General Characteristic of the Westward Currents, as Deduced From CHAMP

    NASA Astrophysics Data System (ADS)

    Zhou, Yun-Liang; Lühr, Hermann; Alken, Patrick

    2018-02-01

    Based on 5 years (2001-2005) of magnetic field measurements made by the CHAMP satellite, latitudinal profiles of the equatorial electrojet (EEJ) have been derived. This study provides a comprehensive characterization of the reverse current EEJ sidebands. These westward currents peak at ±5° quasi-dipole latitude with typical amplitudes of 35% of the main EEJ. The diurnal amplitude variation is quite comparable with that of the EEJ. Similarly to the EEJ, the intensity is increasing with solar EUV flux, but with a steeper slope, indicating that not only the conductivity plays a role. For the longitude distribution we find, in general, larger amplitudes in the Western than in the Eastern Hemisphere. It is presently a common understanding that the reverse current EEJ sidebands are generated by eastward zonal winds at altitudes above about 120 km. In particular, a positive vertical gradient of wind speed generates westward currents at magnetic latitudes outside of 2° dip latitude. Interesting information about these features can be deduced from the sidebands' tidal characteristics. The longitudinal variation of the amplitude is dominated by a wave-1 pattern, which can primarily be attributed to the tidal components SPW1 and SW3. In case of the hemispheric amplitude differences these same two wave-1 components dominate. The ratio between sideband amplitude and main EEJ is largely controlled by the tidal features of the EEJ. The longitudinal patterns of the latitude, where the sidebands peak, resemble to some extent those of the amplitude. Current densities become larger when the peaks move closer to the magnetic equator.

  19. An increase in the 12C + 12C fusion rate from resonances at astrophysical energies.

    PubMed

    Tumino, A; Spitaleri, C; La Cognata, M; Cherubini, S; Guardo, G L; Gulino, M; Hayakawa, S; Indelicato, I; Lamia, L; Petrascu, H; Pizzone, R G; Puglia, S M R; Rapisarda, G G; Romano, S; Sergi, M L; Spartá, R; Trache, L

    2018-05-01

    Carbon burning powers scenarios that influence the fate of stars, such as the late evolutionary stages of massive stars 1 (exceeding eight solar masses) and superbursts from accreting neutron stars 2,3 . It proceeds through the 12 C +  12 C fusion reactions that produce an alpha particle and neon-20 or a proton and sodium-23-that is, 12 C( 12 C, α) 20 Ne and 12 C( 12 C, p) 23 Na-at temperatures greater than 0.4 × 10 9 kelvin, corresponding to astrophysical energies exceeding a megaelectronvolt, at which such nuclear reactions are more likely to occur in stars. The cross-sections 4 for those carbon fusion reactions (probabilities that are required to calculate the rate of the reactions) have hitherto not been measured at the Gamow peaks 4 below 2 megaelectronvolts because of exponential suppression arising from the Coulomb barrier. The reference rate 5 at temperatures below 1.2 × 10 9 kelvin relies on extrapolations that ignore the effects of possible low-lying resonances. Here we report the measurement of the 12 C( 12 C, α 0,1 ) 20 Ne and 12 C( 12 C, p 0,1 ) 23 Na reaction rates (where the subscripts 0 and 1 stand for the ground and first excited states of 20 Ne and 23 Na, respectively) at centre-of-mass energies from 2.7 to 0.8 megaelectronvolts using the Trojan Horse method 6,7 and the deuteron in 14 N. The cross-sections deduced exhibit several resonances that are responsible for very large increases of the reaction rate at relevant temperatures. In particular, around 5 × 10 8 kelvin, the reaction rate is boosted to more than 25 times larger than the reference value 5 . This finding may have implications such as lowering the temperatures and densities 8 required for the ignition of carbon burning in massive stars and decreasing the superburst ignition depth in accreting neutron stars to reconcile observations with theoretical models 3 .

  20. HENRY'S LAW CALCULATOR

    EPA Science Inventory

    On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

  1. Hybrid dose calculation: a dose calculation algorithm for microbeam radiation therapy

    NASA Astrophysics Data System (ADS)

    Donzelli, Mattia; Bräuer-Krisch, Elke; Oelfke, Uwe; Wilkens, Jan J.; Bartzsch, Stefan

    2018-02-01

    Microbeam radiation therapy (MRT) is still a preclinical approach in radiation oncology that uses planar micrometre wide beamlets with extremely high peak doses, separated by a few hundred micrometre wide low dose regions. Abundant preclinical evidence demonstrates that MRT spares normal tissue more effectively than conventional radiation therapy, at equivalent tumour control. In order to launch first clinical trials, accurate and efficient dose calculation methods are an inevitable prerequisite. In this work a hybrid dose calculation approach is presented that is based on a combination of Monte Carlo and kernel based dose calculation. In various examples the performance of the algorithm is compared to purely Monte Carlo and purely kernel based dose calculations. The accuracy of the developed algorithm is comparable to conventional pure Monte Carlo calculations. In particular for inhomogeneous materials the hybrid dose calculation algorithm out-performs purely convolution based dose calculation approaches. It is demonstrated that the hybrid algorithm can efficiently calculate even complicated pencil beam and cross firing beam geometries. The required calculation times are substantially lower than for pure Monte Carlo calculations.

  2. Vibrationally high-resolved electronic spectra of MCl2 (M=C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2(.).

    PubMed

    Ran, Yibin; Pang, Min; Shen, Wei; Li, Ming; He, Rongxing

    2016-10-05

    We systematically studied the vibrational-resolved electronic spectra of group IV dichlorides using the Franck-Condon approximation combined with the Duschinsky and Herzberg-Teller effects in harmonic and anharmonic frameworks (only the simulation of absorption spectra includes the anharmonicity). Calculated results showed that the band shapes of simulated spectra are in accordance with those of the corresponding experimental or theoretical ones. We found that the symmetric bend mode in progression of absorption is the most active one, whereas the main contributor in photoelectron spectra is the symmetric stretching mode. Moreover, the Duschinsky and anharmonic effects exert weak influence on the absorption spectra, except for PbCl2 molecule. The theoretical insights presented in this work are significant in understanding the photophysical properties of MCl2 (M=C, Si, Ge, Sn, Pb) and studying the Herzberg-Teller and the anharmonic effects on the absorption spectra of new dichlorides of this main group. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Deducing protein structures using logic programming: exploiting minimum data of diverse types.

    PubMed

    Sibbald, P R

    1995-04-21

    The extent to which a protein can be modeled from constraint data depends on the amount and quality of the data. This report quantifies a relationship between the amount of data and the achievable model resolution. In an information-theoretic framework the number of bits of information per residue needed to constrain a solution was calculated. The number of bits provided by different kinds of constraints was estimated from a tetrahedral lattice where all unique molecules of 6, 9, ..., 21 atoms were enumerated. Subsets of these molecules consistent with different constraint sets were then chosen, counted, and the root-mean-square distance between them calculated. This provided the desired relations. In a discrete system the number of possible models can be severely limited with relatively few constraints. An expert system that can model a protein from data of different types was built to illustrate the principle and was tested using known proteins as examples. C-alpha resolutions of 5 A are obtainable from 5 bits of information per amino acid and, in principle, from data that could be rapidly collected using standard biophysical techniques.

  4. Crystal structure, oxidation state and magnetism of Sr{sub x}La{sub 2−x}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (x=1, 1.5)

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

    Lü, Minfeng, E-mail: m.f.lv@ciac.jl.cn; Deng, Xiaolong; Waerenborgh, João C.

    2014-03-15

    Sr{sub x}La{sub 2−x}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (x=1, 1.5) oxides with K{sub 2}NiF{sub 4}-type structure were prepared by solid state reaction and characterized by powder X-ray diffraction, X-ray photoelectron spectroscopy, magnetic and electrical resistivity measurements. The SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} phase was obtained for the first time with a negligible amount of impurities. The octahedral Cu/RuO{sub 6} units are more elongated in SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} than in Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} indicating a greater extent of static Jahn–Teller distortion. XPS suggests that mixed ion pairs Ru{sup 5+}/Ru{sup 4+}↔Cu{sup +}/Cu{sup 2+} are present in SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4}, whilemore » Ru remains as Ru{sup 5+} and Cu as Cu{sup 2+} in Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4}. Both samples show spin-glass behavior, which can be explained by competition between ferromagnetic and antiferromagnetic superexchange interactions. The negative Weiss temperature estimated for SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4}, −318 K, is significantly lower than −11.5 K deduced for Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} which may be related to the higher static Jahn–Teller distortion in the former oxide. -- Graphical abstract: SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} with K{sub 2}NiF{sub 4}-type structure show a larger static Jahn–Teller distortion than Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4}, which may be related to stronger antiferromagnetic superexchange interactions. Highlights: • SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} (I) larger Jahn–Teller (J–T) distortion than Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (II). • Octahedral Cu/RuO{sub 6} units are more elongated in I than in II. • Mixed ion pairs Ru{sup 5+}/Ru{sup 4+}↔Cu{sup +}/Cu{sup 2+} are present in I, while Ru remains as Ru{sup 5+} and Cu as Cu{sup 2+} in II. • Negative Weiss temperature of I significantly lower

  5. Ionization potential depression and optical spectra in a Debye plasma model

    NASA Astrophysics Data System (ADS)

    Lin, Chengliang; Röpke, Gerd; Reinholz, Heidi; Kraeft, Wolf-Dietrich

    2017-11-01

    We show how optical spectra in dense plasmas are determined by the shift of energy levels as well as the broadening owing to collisions with the plasma particles. In lowest approximation, the interaction with the plasma particles is described by the RPA dielectric function, leading to the Debye shift of the continuum edge. The bound states remain nearly un-shifted, their broadening is calculated in Born approximation. The role of ionization potential depression as well as the Inglis-Teller effect are shown. The model calculations have to be improved going beyond the lowest (RPA) approximation when applying to WDM spectra.

  6. The four hexamerin genes in the honey bee: structure, molecular evolution and function deduced from expression patterns in queens, workers and drones

    PubMed Central

    2010-01-01

    Background Hexamerins are hemocyanin-derived proteins that have lost the ability to bind copper ions and transport oxygen; instead, they became storage proteins. The current study aimed to broaden our knowledge on the hexamerin genes found in the honey bee genome by exploring their structural characteristics, expression profiles, evolution, and functions in the life cycle of workers, drones and queens. Results The hexamerin genes of the honey bee (hex 70a, hex 70b, hex 70c and hex 110) diverge considerably in structure, so that the overall amino acid identity shared among their deduced protein subunits varies from 30 to 42%. Bioinformatics search for motifs in the respective upstream control regions (UCRs) revealed six overrepresented motifs including a potential binding site for Ultraspiracle (Usp), a target of juvenile hormone (JH). The expression of these genes was induced by topical application of JH on worker larvae. The four genes are highly transcribed by the larval fat body, although with significant differences in transcript levels, but only hex 110 and hex 70a are re-induced in the adult fat body in a caste- and sex-specific fashion, workers showing the highest expression. Transcripts for hex 110, hex 70a and hex70b were detected in developing ovaries and testes, and hex 110 was highly transcribed in the ovaries of egg-laying queens. A phylogenetic analysis revealed that HEX 110 is located at the most basal position among the holometabola hexamerins, and like HEX 70a and HEX 70c, it shares potential orthology relationship with hexamerins from other hymenopteran species. Conclusions Striking differences were found in the structure and developmental expression of the four hexamerin genes in the honey bee. The presence of a potential binding site for Usp in the respective 5' UCRs, and the results of experiments on JH level manipulation in vivo support the hypothesis of regulation by JH. Transcript levels and patterns in the fat body and gonads suggest that

  7. Exospheric Neutral Density at the Earth's subsolar magnetopause deduced from the XMM-Newton X-ray observations

    NASA Astrophysics Data System (ADS)

    Connor, H. K.; Carter, J. A.

    2017-12-01

    Soft X-rays can be emitted when highly charged solar wind ions and exospheric neutrals exchange electrons. Astrophysics missions, such as XMM-Newton and ROSAT X-ray telescopes, have found that such solar wind charge exchange happens at the Earth's exosphere. The Earth's magnetosphere can be imaged via soft X-rays in order to understand its interaction with solar wind. Consequently, two soft X-ray telescope missions (CuPID and SMILE) are scheduled to launch in 2019 and 2021. They will provide wide field-of-view soft X-ray images of the Earth's dayside magnetosphere. The imagers will track the location and movement of the cusps, magnetopause, and bow shock in response to solar wind variations. To support these missions, an understanding of exospheric neutral density profile is needed. The neutral density is one of the controlling factors of soft X-ray signals. Strong neutral density can help to obtain high-resolution and high-cadence of soft X-ray images. In this study, we estimate the exospheric neutral density at 10 RE subsolar point using XMM X-ray observations, Cluster plasma observations, and OpenGGCM global magnetosphere - ionosphere MHD model. XMM-Newton observes line-of-sight, narrow field-of-view, integrated soft X-ray emissions when it looks through the dayside magnetosphere. OpenGGCM reproduces soft X-ray signals seen by the XMM spacecraft, assuming exospheric neutral density as a function of the neutral density at the 10RE subsolar point and the radial distance. Cluster observations are used to confirm OpenGGCM plasma results. Finally, we deduce the neutral density at 10 RE subsolar point by adjusting the model results to the XMM-Newton soft X-ray observations.

  8. Structural transition in Mg-doped LiMn 2O 4: a comparison with other M-doped Li-Mn spinels

    NASA Astrophysics Data System (ADS)

    Capsoni, Doretta; Bini, Marcella; Chiodelli, Gaetano; Massarotti, Vincenzo; Mozzati, Maria Cristina; Azzoni, Carlo B.

    2003-01-01

    The charge distribution in the Mg-doped lithium manganese spinel Li 1.02Mg xMn 1.98- xO 4 with 0.00< x≤0.20 is discussed and compared to those pertinent to other M-doped samples (M=Ni 2+, Co 3+, Cr 3+, Al 3+ and Ga 3+). EPR spectra, low temperature X-ray diffraction and conductivity data are related to the cooperative Jahn-Teller (J-T) transition occurring at about 280 K in the undoped sample. The sensitivity of the cationic sublattice in displaying electronic and magnetic changes after substitution is remarked. The inhibition of the J-T transition is related to the ratio r=|Mn 4+|/|Mn 3+| as deduced from the charge distribution model [Li 1- xt+Mg xt2+] tetr[Li y+ xt+Mg xo2+Mn 1-3 y-2 x3+Mn 1+2 y+ x4+] octa where x= xo+ xt. For y=0.02 and x=0.02, a value r=1.177 is obtained, very close to rlim=1.18, the limit value beyond which the transition is inhibited.

  9. New mixed ligand palladium(II) complexes based on the antiepileptic drug sodium valproate and bioactive nitrogen-donor ligands: Synthesis, structural characterization, binding interactions with DNA and BSA, in vitro cytotoxicity studies and DFT calculations

    NASA Astrophysics Data System (ADS)

    Tabrizi, Leila; Chiniforoshan, Hossein; Tavakol, Hossein

    2015-04-01

    The complexes [Pd(valp)2(imidazole)2] (1), [Pd(valp)2(pyrazine)2] (2) (valp is sodium valproate) have been synthesized and characterized using IR, 1H NMR, 13C{1H} NMR and UV-Vis spectrometry. The interaction of complexes with CT-DNA has been investigated using spectroscopic tools and viscosity measurement. In each case, the association constant (Kb) was deduced from the absorption spectral study and the number of binding sites (n) and the binding constant (K) were calculated from relevant fluorescence quenching data. As a result, a non-covalent interaction between the metal complex and DNA was suggested, which could be assigned to an intercalative binding. In addition, the interaction of 1 and 2 was ventured with bovine serum albumin (BSA) with the help of absorption and fluorescence spectroscopy measurements. Through these techniques, the apparent association constant (Kapp) and the binding constant (K) could be calculated for each complex. Evaluation of cytotoxic activity of the complexes against four different cancer cell lines proved that the complexes exhibited cytotoxic specificity and significant cancer cell inhibitory rate. Moreover, density functional theory (DFT) calculations were employed to provide more evidence about the observed data. The majority of trans isomers were supported not only by energies, but also by the similarity of its calculated IR frequencies, UV adsorptions and NMR chemical shifts to the experimental values.

  10. Teller Award acceptance speech

    NASA Astrophysics Data System (ADS)

    Kirillov, Gennady A.

    Since I am not good at speaking English, I would like to ask Dr.Kochemasov to translate my Russian. Here I would like to talk shortly about studies on ion-laser physics at Arzamas-16. We have begun these investigations since 1965. The group was under the leadership of Khariton and Kohmir, and I was one of the active scientists. In the beginning, the research was proceeded in collaboration with Basov and Krohkin at Levedev institute. In 1961, it was reported that in terms of molecular dissociation it is possible to achieve inversion population. It was 1965 when a practical ion-laser system was first realized. We then got started on the research with the following experimental set up. First, a crystal tube was filled with xenon gas. Then, by means of a high explosive a strong shock wave was launched. The shock wave propagated along the tube. The radiation temperature observed was as high as 46,000C. Through the experiments, we could obtain various dependencies of physical quantities under different conditions. In the end, we could develop a laser system without using the crystal tube. The laser was further improved by changing the configuration of the surrounding explosives. As a result, laser energy of 100 kJ was successfully extracted at the quantum efficiency of about 100%.

  11. The R-matrix investigation of 8Li(α, n)11B reaction below 6 MeV

    NASA Astrophysics Data System (ADS)

    Kilic, Ali Ihsan; Muecher, Dennis; Garret, Paul; Svensson, Carl

    2017-09-01

    The investigation of cross sections for the 8Li(α, n)11B reaction has important impact for both primordial nucleosynthesis in the inhomogeneous models as well as constraining the physical conditions characterizing the r-process. However, there are large discrepancies existing between inclusive and exclusive measurements of the cross section below 3 MeV. The R-Matrix technique is a powerful tool for the analysis of the nuclear data for the purpose of extracting level information of compound nucleus 12B and extrapolation of the astrophysical S-Factor to Gamow energies. We have applied the R-matrix calculations for the 8Li(α, n)11B reaction and will present results for both the reaction rates and the partial S-factor. Combining the direct reaction contribution with the results from our R-matrix calculations, we can well describe the experimental data from the inclusive measurements. However, new experiments are needed in order to understand the role of neutron detection close to the threshold, for which we describe our experimental plans at ISAC, TRIUMF, using the newly developed DESCANT array.

  12. Metabolic switches and adaptations deduced from the proteomes of Streptomyces coelicolor wild type and phoP mutant grown in batch culture.

    PubMed

    Thomas, Louise; Hodgson, David A; Wentzel, Alexander; Nieselt, Kay; Ellingsen, Trond E; Moore, Jonathan; Morrissey, Edward R; Legaie, Roxane; Wohlleben, Wolfgang; Rodríguez-García, Antonio; Martín, Juan F; Burroughs, Nigel J; Wellington, Elizabeth M H; Smith, Margaret C M

    2012-02-01

    Bacteria in the genus Streptomyces are soil-dwelling oligotrophs and important producers of secondary metabolites. Previously, we showed that global messenger RNA expression was subject to a series of metabolic and regulatory switches during the lifetime of a fermentor batch culture of Streptomyces coelicolor M145. Here we analyze the proteome from eight time points from the same fermentor culture and, because phosphate availability is an important regulator of secondary metabolite production, compare this to the proteome of a similar time course from an S. coelicolor mutant, INB201 (ΔphoP), defective in the control of phosphate utilization. The proteomes provide a detailed view of enzymes involved in central carbon and nitrogen metabolism. Trends in protein expression over the time courses were deduced from a protein abundance index, which also revealed the importance of stress pathway proteins in both cultures. As expected, the ΔphoP mutant was deficient in expression of PhoP-dependent genes, and several putatively compensatory metabolic and regulatory pathways for phosphate scavenging were detected. Notably there is a succession of switches that coordinately induce the production of enzymes for five different secondary metabolite biosynthesis pathways over the course of the batch cultures.

  13. Hemispheric Asymmetry in Transition from Equatorial Plasma Bubble to Blob as Deduced from 630.0 nm Airglow Observations at Low Latitudes

    NASA Technical Reports Server (NTRS)

    Park, Jaeheung; Martinis, Carlos R.; Luehr, Hermann; Pfaff, Robert F.; Kwak, Young-Sil

    2016-01-01

    Transitions from depletions to enhancements of 630.0 nm nighttime airglow have been observed at Arecibo. Numerical simulations by Krall et al. (2009) predicted that they should occur only in one hemisphere, which has not yet been confirmed observationally. In this study we investigate the hemispheric conjugacy of the depletion-to-enhancement transition using multiple instruments. We focus on one event observed in the American longitude sector on 22 December 2014: 630.0 nm airglow depletions evolved into enhancements in the Northern Hemisphere while the evolution did not occur in the conjugate location in the Southern Hemisphere. Concurrent plasma density measured by low Earth orbit (LEO) satellites and 777.4 nm airglow images support that the depletions and enhancements of 630.0 nm night time airglow reflect plasma density decreases and increases (blobs), respectively. Characteristics of the airglow depletions, in the context of the LEO satellite data, further suggest that the plasma density depletion deduced from the airglow data represents equatorial plasma bubbles (EPBs) rather than medium-scale traveling ionospheric disturbances from midlatitudes. Hence, the event in this study can be interpreted as EPB-to-blob transition.

  14. Morphology of high-latitude plasma density perturbations as deduced from the total electron content measurements onboard the Swarm constellation

    NASA Astrophysics Data System (ADS)

    Park, Jaeheung; Lühr, Hermann; Kervalishvili, Guram; Rauberg, Jan; Stolle, Claudia; Kwak, Young-Sil; Lee, Woo Kyoung

    2017-01-01

    In this study, we investigate the climatology of high-latitude total electron content (TEC) variations as observed by the dual-frequency Global Navigation Satellite Systems (GNSS) receivers onboard the Swarm satellite constellation. The distribution of TEC perturbations as a function of geographic/magnetic coordinates and seasons reasonably agrees with that of the Challenging Minisatellite Payload observations published earlier. Categorizing the high-latitude TEC perturbations according to line-of-sight directions between Swarm and GNSS satellites, we can deduce their morphology with respect to the geomagnetic field lines. In the Northern Hemisphere, the perturbation shapes are mostly aligned with the L shell surface, and this anisotropy is strongest in the nightside auroral (substorm) and subauroral regions and weakest in the central polar cap. The results are consistent with the well-known two-cell plasma convection pattern of the high-latitude ionosphere, which is approximately aligned with L shells at auroral regions and crossing different L shells for a significant part of the polar cap. In the Southern Hemisphere, the perturbation structures exhibit noticeable misalignment to the local L shells. Here the direction toward the Sun has an additional influence on the plasma structure, which we attribute to photoionization effects. The larger offset between geographic and geomagnetic poles in the south than in the north is responsible for the hemispheric difference.

  15. The Band Structure of Polymers: Its Calculation and Interpretation. Part 2. Calculation.

    ERIC Educational Resources Information Center

    Duke, B. J.; O'Leary, Brian

    1988-01-01

    Details ab initio crystal orbital calculations using all-trans-polyethylene as a model. Describes calculations based on various forms of translational symmetry. Compares these calculations with ab initio molecular orbital calculations discussed in a preceding article. Discusses three major approximations made in the crystal case. (CW)

  16. Strong ion calculator--a practical bedside application of modern quantitative acid-base physiology.

    PubMed

    Lloyd, P

    2004-12-01

    To review acid-base balance by considering the physical effects of ions in solution and describe the use of a calculator to derive the strong ion difference and Atot and strong ion gap. A review of articles reporting on the use of strong ion difference and Atot in the interpretation of acid base balance. Tremendous progress has been made in the last decade in our understanding of acid-base physiology. We now have a quantitative understanding of the mechanisms underlying the acidity of an aqueous solution. We can now predict the acidity given information about the concentration of the various ion-forming species within it. We can predict changes in acid-base status caused by disturbance of these factors, and finally, we can detect unmeasured anions with greater sensitivity than was previously possible with the anion gap, using either arterial or venous blood sampling. Acid-base interpretation has ceased to be an intuitive and arcane art. Much of it is now an exact computation that can be automated and incorporated into an online hospital laboratory information system. All diseases and all therapies can affect a patient's acid-base status only through the final common pathway of one or more of the three independent factors. With Constable's equations we can now accurately predict the acidity of plasma. When there is a discrepancy between the observed and predicted acidity we can deduce the net concentration of unmeasured ions to account for the difference.

  17. Investigation of deformation effects on the decay properties of 12 C + α Cluster states in 16O

    NASA Astrophysics Data System (ADS)

    Soylu, A.; Koyuncu, F.; Coban, A.; Bayrak, O.; Freer, M.

    2018-04-01

    We have analyzed the elastic scattering angular distributions data of the α +12C reaction over a wide energy range (Elab = 28 . 2 to 35.5 MeV) within the framework of the Optical Model formalism. A double folding (DF) type real potential was used with a phenomenological Woods-Saxon-squared (WS2) type imaginary potential. Good agreement between the calculations and experimental data was obtained. By using the real DF potential we have calculated the properties of the α-cluster states in 16O by using the Gamow code as well as the α-decay widths by using the WKB method. We implemented a 12C + α cluster framework for the calculation of the excitation energies and decay widths of 16O as a function of the orientation of the planar 12C nucleus with respect to the α-particle. These calculations showed strong sensitivity of the widths and excitation energies to the orientation. Branching ratios were also calculated and though less sensitive to the 12C orientation, it was found that 12Cgs + α structure, with the α-particle orbiting the 12C in its ground state, is dominant. This work demonstrates that deformation, and the orientation, of 12C plays a crucial role in the understanding of the nature of the α-cluster states in 16O.

  18. MEMS Calculator

    National Institute of Standards and Technology Data Gateway

    SRD 166 MEMS Calculator (Web, free access)   This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.

  19. Obliged to Calculate: "My School", Markets, and Equipping Parents for Calculativeness

    ERIC Educational Resources Information Center

    Gobby, Brad

    2016-01-01

    This paper argues neoliberal programs of government in education are equipping parents for calculativeness. Regimes of testing and the publication of these results and other organizational data are contributing to a public economy of numbers that increasingly oblige citizens to calculate. Using the notions of calculative and market devices, this…

  20. Torsion effect of swing frame on the measurement of horizontal two-plane balancing machine

    NASA Astrophysics Data System (ADS)

    Wang, Qiuxiao; Wang, Dequan; He, Bin; Jiang, Pan; Wu, Zhaofu; Fu, Xiaoyan

    2017-03-01

    In this paper, the vibration model of swing frame of two-plane balancing machine is established to calculate the vibration center position of swing frame first. The torsional stiffness formula of spring plate twisting around the vibration center is then deduced by using superposition principle. Finally, the dynamic balancing experiments prove the irrationality of A-B-C algorithm which ignores the torsion effect, and show that the torsional stiffness deduced by experiments is consistent with the torsional stiffness calculated by theory. The experimental datas show the influence of the torsion effect of swing frame on the separation ratio of sided balancing machines, which reveals the sources of measurement error and assesses the application scope of A-B-C algorithm.

  1. The strength of electron electron correlation in Cs3C60

    NASA Astrophysics Data System (ADS)

    Baldassarre, L.; Perucchi, A.; Mitrano, M.; Nicoletti, D.; Marini, C.; Pontiroli, D.; Mazzani, M.; Aramini, M.; Riccó, M.; Giovannetti, G.; Capone, M.; Lupi, S.

    2015-10-01

    Cs3C60 is an antiferromagnetic insulator that under pressure (P) becomes metallic and superconducting below Tc = 38 K. The superconducting dome present in the T - P phase diagram close to a magnetic state reminds what found in superconducting cuprates and pnictides, strongly suggesting that superconductivity is not of the conventional Bardeen-Cooper-Schrieffer (BCS) type We investigate the insulator to metal transition induced by pressure in Cs3C60 by means of infrared spectroscopy supplemented by Dynamical Mean-Field Theory calculations. The insulating compound is driven towards a metallic-like behaviour, while strong correlations survive in the investigated pressure range. The metallization process is accompanied by an enhancement of the Jahn-Teller effect. This shows that electronic correlations are crucial in determining the insulating behaviour at ambient pressure and the bad metallic nature for increasing pressure. On the other hand, the relevance of the Jahn-Teller coupling in the metallic state confirms that phonon coupling survives in the presence of strong correlations.

  2. Estimation of true serum thyroglobulin concentration using simultaneous measurement of serum antithyroglobulin antibody.

    PubMed

    Ahn, Byeong-Cheol; Lee, Won Kee; Jeong, Shin Young; Lee, Sang-Woo; Lee, Jaetae

    2013-01-01

    We investigated the analytical interference of antithyroglobulin antibody (TgAb) to thyroglobulin (Tg) measurement and tried to convert measured Tg concentration to true Tg concentration using a mathematical equation which includes a concentration of TgAb. Methods. Tg was measured by immunoradiometric assay and TgAb by radioimmunoassy. Experimental samples were produced by mixing Tg and TgAb standard solutions or mixing patients' serum with high Tg or high TgAb. Mathematical equations for prediction of expected Tg concentration with measured Tg and TgAb concentrations were deduced. The Tg concentration calculated using the equations was compared with the expected Tg concentration. Results. Measured Tg concentrations of samples having high TgAb were significantly lower than their expected Tg concentration. Magnitude of TgAb interference with the Tg assay showed a positive correlation with concentration of TgAb. Mathematical equations for estimation of expected Tg concentration using measured Tg and TgAb concentrations were successfully deduced and the calculated Tg concentration showed excellent correlation with expected Tg concentration. Conclusions. A mathematic equation for estimation of true Tg concentration using measured Tg and TgAb concentration was deduced. Tg concentration calculated by use of the equation might be more valuable than measured Tg concentration in patients with differentiated thyroid cancer.

  3. Alpha-capture reaction rates for 22 Ne (α , n) via sub-Coulomb alpha-transfer and its effect on final abundances of s-process isotopes

    NASA Astrophysics Data System (ADS)

    Jayatissa, Heshani; Rogachev, Grigory; Koshchiy, Yevgeny; Goldberg, Vladilen; Hooker, Joshua; Hunt, Curtis; Magana, Cordero; Roeder, Brian; Saastamoinen, Antti; Spiridon, Alexandria; Upadhyayula, Sriteja; Trippella, Oscar

    2017-09-01

    The 22 Ne (α , n) reaction is a very important neutron source reaction for the slow neutron capture process (s-process) in asymptotic giant branch stars. These direct measurements are very difficult to carry out at the energy regimes of interest for astrophysics (Gamow energies) due to the extremely small reaction cross section. The large uncertainties introduced when extrapolating direct measurements at high energies down to the Gamow energies can be overcome by measuring the Asymptotic Normalization Coefficients (ANC) of the relevant states using α-transfer reactions at sub-Coulomb energies to reduce the optical model dependence. The study of the 22Ne(6Li,d) and 22Ne(7Li,t) reaction was carried out at the Cyclotron Institute at Texas A&M University. The α-ANC measurements for the near α-threshold resonances of 26Mg provide constraints for the 22Ne(α,n) reaction rate. The effect of this reaction rate on the final abundances of the s-process isotopes will be discussed.

  4. Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase: ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations.

    PubMed

    Lamhasni, T; Ait Lyazidi, S; Hnach, M; Haddad, M; Desmaële, D; Spanget-Larsen, J; Nguyen, D D; Ducasse, L

    2013-09-01

    The photophysical properties of the antiviral 7-nicotinoyl-styrylquinoline (MB96) were investigated by means of UV-Vis linear dichroism (LD) spectroscopy on molecular samples aligned in stretched polyvinylalcohol (PVA), supported by time dependent density functional theory (TD-DFT) calculations. Experimentally, the directions of the transitions moments with respect to the long axis of the molecule were deduced from the orientation K factors, determined by means of "trial-and-error" procedure. The absorption spectrum presents two parts. The main transition in the lowest energy part, observed around 365 nm and showing the highest K value 0.8, is longitudinally in-plane polarized. The highest energy part which is extended between 230 and 320 nm, large, diffuse, and of weak intensity, shows estimated K values between 0.2 and 0.5. This complex structure is transversally polarized with some contamination by the longitudinal character of the first strong band. The TD-DFT results agree fairly well with the LD measurements. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. IR Imager Exposure Calculator

    Science.gov Websites

    CTIO Infrared Imager Exposure Time Calculator Note: ISPI throughput values updated 12 March 2005 S/N ratio 10 Exposure Time 1 (seconds) Calculate S/N for specified Total Integration Time Calculate Total Integration Time to reach Desired S/N Submit Exposure Calculation Request [CTIO Home] [CTIO IR

  6. Deducing the magma chamber processes of middle Eocene volcanics, Sivas and Tokat regions; NE Turkey: Insights from clinopyroxene chemistry

    NASA Astrophysics Data System (ADS)

    Göçmengil, Gönenç; Karacık, Zekiye; Genç, Ş. Can; Prelevic, Dejan

    2016-04-01

    Middle Eocene Tokat and Sivas volcanic successions occur within the İzmir-Ankara-Erzincan suture zone. Different models are suggested for the development of the middle Eocene volcanism such as post-collisional, delamination and slab-breakoff models as well as the arc magmatism. In both areas, volcanic units cover all the basement units with a regional disconformity and comprise lavas spanning a compositional range from mainly basalt-basaltic andesite to a lesser amount trachyte. Here, we report mineral chemistry of different basaltic lavas through transect from northern continent (Tokat region, Pontides) to southern continent (Sivas region, Kırşehir block) to deduce the characteristics of the magma chamber processes which are active during the middle Eocene. Basaltic lavas include olivine bearing basalts (Ol-basalt: ± olivine + clinopyroxene + plagioclase); amphibole bearing basaltic andesite (Amp-basaltic andesite: amphibole + clinopyroxene + plagioclase ± biotite) and pyroxene bearing basaltic andesite (Px-basaltic andesite: clinopyroxene + plagioclase). Microlitic, glomeroporphyric and pilotaxitic texture are common. Clinopyroxene phenocrystals (macro ≥ 750 μm and micro ≤300 μm) are common in all three lava series which are investigated by transecting core to rim compositional profiles. They are generally augite and diopside; euhedral to subhedral in shape with oscillatory, normal and reverse zoning patterns. Also, all clinopyroxene phenocrystals are marked by moderately high Mg# (for Ol-basalt: 67-91; avg. 80; Amp-basaltic andesite: 76-83, avg: 80; Px -basaltic andesite 68-95, avg: 81). In Ol-basalt, clinopyroxene phenocrystals show normal zonation (high Mg# cores and low Mg# rims). In Amp-basaltic andesite, clinopyroxenes are generally homogenous in composition with minor variation of Mg# towards the rims. On the contrary, in Px-basaltic andesite, clinopyroxene macro phenocrystals show reverse zonation with the core with low Mg# and the rims with

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

    Libby, S B; Sessler, A M

    Edward Teller died on September 9, 2003 in Stanford, California at the age of 95. He was both one of the great theoretical physicists of the twentieth century and a leading figure in the development of nuclear weapons and broader defense advocacy. Teller's work in physics, spanning many decades of the twentieth century, includes some of the most fundamental insights in the quantum behaviors of molecules and their spectra, nuclei, surfaces, solid state and spin systems, and plasmas. In the defense arena, Teller is best known for his key insight that made thermonuclear weapons possible. Teller was both a greatmore » scientific collaborator and physics teacher at all levels, known for his openness, generosity, personal warmth, and powerful physical intuition. Many of his graduate students went on to illustrious careers.« less

  8. Crystal structure, vibrational, spectral investigation, quantum chemical DFT calculations and thermal behavior of Diethyl [hydroxy (phenyl) methyl] phosphonate

    NASA Astrophysics Data System (ADS)

    Ouksel, Louiza; Chafaa, Salah; Bourzami, Riadh; Hamdouni, Noudjoud; Sebais, Miloud; Chafai, Nadjib

    2017-09-01

    Single Diethyl [hydroxy (phenyl) methyl] phosphonate (DHPMP) crystal with chemical formula C11H17O4P, was synthesized via the base-catalyzed Pudovik reaction and Lewis acid as catalyst. The results of SXRD analyzes indicate that this compound crystallizes into a mono-clinic system with space group P21/n symmetry and Z = 4. The crystal structure parameters are a = 9.293 Å, b = 8.103 Å, c = 17.542 Å, β = 95.329° and V = 1315.2 Å3, the structure displays one inter-molecular O-H⋯O hydrogen bonding. The UV-Visible absorption spectrum shows that the crystal exhibits a good optical transmission in the visible domain, and strong absorption in middle ultraviolet one. The vibrational frequencies of various functional groups present in DHPMP crystal have been deduced from FT-IR and FT-Raman spectra and then compared with theoretical values performed with DFT (B3LYP) method using 6-31G (p, d) basis sets. Chemical and thermodynamic parameters such as: ionization potential (I), electron affinity (A), hardness (σ), softness (η), electronegativity (χ) and electrophilicity index (ω), are also calculated using the same theoretical method. The thermal decomposition behavior of DHPMP, studied by using thermogravimetric analysis (TDG), shows a thermal stability until to 125 °C.

  9. Online plasma calculator

    NASA Astrophysics Data System (ADS)

    Wisniewski, H.; Gourdain, P.-A.

    2017-10-01

    APOLLO is an online, Linux based plasma calculator. Users can input variables that correspond to their specific plasma, such as ion and electron densities, temperatures, and external magnetic fields. The system is based on a webserver where a FastCGI protocol computes key plasma parameters including frequencies, lengths, velocities, and dimensionless numbers. FastCGI was chosen to overcome security problems caused by JAVA-based plugins. The FastCGI also speeds up calculations over PHP based systems. APOLLO is built upon the WT library, which turns any web browser into a versatile, fast graphic user interface. All values with units are expressed in SI units except temperature, which is in electron-volts. SI units were chosen over cgs units because of the gradual shift to using SI units within the plasma community. APOLLO is intended to be a fast calculator that also provides the user with the proper equations used to calculate the plasma parameters. This system is intended to be used by undergraduates taking plasma courses as well as graduate students and researchers who need a quick reference calculation.

  10. Comparison of transcripts in Phalaenopsis bellina and Phalaenopsis equestris (Orchidaceae) flowers to deduce monoterpene biosynthesis pathway

    PubMed Central

    Hsiao, Yu-Yun; Tsai, Wen-Chieh; Kuoh, Chang-Sheng; Huang, Tian-Hsiang; Wang, Hei-Chia; Wu, Tian-Shung; Leu, Yann-Lii; Chen, Wen-Huei; Chen, Hong-Hwa

    2006-01-01

    Background Floral scent is one of the important strategies for ensuring fertilization and for determining seed or fruit set. Research on plant scents has hampered mainly by the invisibility of this character, its dynamic nature, and complex mixtures of components that are present in very small quantities. Most progress in scent research, as in other areas of plant biology, has come from the use of molecular and biochemical techniques. Although volatile components have been identified in several orchid species, the biosynthetic pathways of orchid flower fragrance are far from understood. We investigated how flower fragrance was generated in certain Phalaenopsis orchids by determining the chemical components of the floral scent, identifying floral expressed-sequence-tags (ESTs), and deducing the pathways of floral scent biosynthesis in Phalaneopsis bellina by bioinformatics analysis. Results The main chemical components in the P. bellina flower were shown by gas chromatography-mass spectrometry to be monoterpenoids, benzenoids and phenylpropanoids. The set of floral scent producing enzymes in the biosynthetic pathway from glyceraldehyde-3-phosphate (G3P) to geraniol and linalool were recognized through data mining of the P. bellina floral EST database (dbEST). Transcripts preferentially expressed in P. bellina were distinguished by comparing the scent floral dbEST to that of a scentless species, P. equestris, and included those encoding lipoxygenase, epimerase, diacylglycerol kinase and geranyl diphosphate synthase. In addition, EST filtering results showed that transcripts encoding signal transduction and Myb transcription factors and methyltransferase, in addition to those for scent biosynthesis, were detected by in silico hybridization of the P. bellina unigene database against those of the scentless species, rice and Arabidopsis. Altogether, we pinpointed 66% of the biosynthetic steps from G3P to geraniol, linalool and their derivatives. Conclusion This systems

  11. Comparison of transcripts in Phalaenopsis bellina and Phalaenopsis equestris (Orchidaceae) flowers to deduce monoterpene biosynthesis pathway.

    PubMed

    Hsiao, Yu-Yun; Tsai, Wen-Chieh; Kuoh, Chang-Sheng; Huang, Tian-Hsiang; Wang, Hei-Chia; Wu, Tian-Shung; Leu, Yann-Lii; Chen, Wen-Huei; Chen, Hong-Hwa

    2006-07-13

    Floral scent is one of the important strategies for ensuring fertilization and for determining seed or fruit set. Research on plant scents has hampered mainly by the invisibility of this character, its dynamic nature, and complex mixtures of components that are present in very small quantities. Most progress in scent research, as in other areas of plant biology, has come from the use of molecular and biochemical techniques. Although volatile components have been identified in several orchid species, the biosynthetic pathways of orchid flower fragrance are far from understood. We investigated how flower fragrance was generated in certain Phalaenopsis orchids by determining the chemical components of the floral scent, identifying floral expressed-sequence-tags (ESTs), and deducing the pathways of floral scent biosynthesis in Phalaneopsis bellina by bioinformatics analysis. The main chemical components in the P. bellina flower were shown by gas chromatography-mass spectrometry to be monoterpenoids, benzenoids and phenylpropanoids. The set of floral scent producing enzymes in the biosynthetic pathway from glyceraldehyde-3-phosphate (G3P) to geraniol and linalool were recognized through data mining of the P. bellina floral EST database (dbEST). Transcripts preferentially expressed in P. bellina were distinguished by comparing the scent floral dbEST to that of a scentless species, P. equestris, and included those encoding lipoxygenase, epimerase, diacylglycerol kinase and geranyl diphosphate synthase. In addition, EST filtering results showed that transcripts encoding signal transduction and Myb transcription factors and methyltransferase, in addition to those for scent biosynthesis, were detected by in silico hybridization of the P. bellina unigene database against those of the scentless species, rice and Arabidopsis. Altogether, we pinpointed 66% of the biosynthetic steps from G3P to geraniol, linalool and their derivatives. This systems biology program combined

  12. Aggregate frequency width, nuclear hyperfine coupling and Jahn-Teller effect of Cu2+ impurity ion ESR in SrLaAlO4 dielectric resonator at 20 millikelvin

    NASA Astrophysics Data System (ADS)

    Hosain, M. A.; Le Floch, J.-M.; Krupka, J.; Tobar, M. E.

    2018-01-01

    The impurity paramagnetic ion, Cu2+ substitutes Al in the SrLaAlO4 single crystal lattice, this results in a CuO6 elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal SrLaAlO4 at 20 millikelvin. Measured parallel hyperfine constants, A\\Vert Cu , were determined to be -155.7×10-4~cm-1, ~ -163.0×10-4~cm-1, ~ -178.3×10-4~cm-1 and -211.1×10-4~cm-1 at 9.072~GHz~(WGH4, 1, 1) for the nuclear magnetic quantum number M_I=+\\frac{3}{2}, +\\frac{1}{2}, -\\frac{1}{2} , and -\\frac{3}{2} respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, ˜ (\\fracspin{-orbit~coupling}{10D_q}){\\hspace{0pt}}2 , is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, β=9.23× 10-24 JT-1 , (within -0.43% so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter P\\Vert=12.3×10-4~cm-1 shows that the mean inverse third power of the electron distance from the nucleus is < r-3_q>≃ 5.23 a.u. for Cu2+ ion in the substituted Al3+ ion site assuming nuclear electric quadruple moment Q=-0.211 barn.

  13. Been there before? Examining "familiarity" as a moderator for discriminating between true and false intentions.

    PubMed

    Knieps, Melanie; Granhag, Pär A; Vrij, Aldert

    2014-01-01

    Prospection is thinking about possible future states of the world. Commitment to perform a future action-commonly referred to as intention-is a specific type of prospection. This knowledge is relevant when trying to assess whether a stated intention is a lie or the truth. An important observation is that thinking of, and committing to, future actions often evoke vivid and detailed mental images. One factor that affects how specific a person experiences these simulations is location-familiarity. The purpose of this study was to examine to what extent location-familiarity moderates how liars and truth tellers describe a mental image in an investigative interview. Liars were instructed to plan a criminal act and truth tellers were instructed to plan a non-criminal act. Before they could carry out these acts, the participants were intercepted and interviewed about the mental images they may have had experienced in this planning phase. Truth tellers told the truth whereas liars used a cover story to mask their criminal intentions. As predicted, the results showed that the truth tellers reported a mental image significantly more often than the liars. If a mental image was reported, the content of the descriptions did not differ between liars and truth tellers. In a post interview questionnaire, the participants rated the vividness (i.e., content and clarity) of their mental images. The ratings revealed that the truth tellers had experienced their mental images more vividly during the planning phase than the liars. In conclusion, this study indicates that both prototypical and specific representations play a role in prospection. Although location-familiarity did not moderate how liars and truth tellers describe their mental images of the future, this study allows some interesting insights into human future thinking. How these findings can be helpful for distinguishing between true and false intentions will be discussed.

  14. Been there before? Examining “familiarity” as a moderator for discriminating between true and false intentions

    PubMed Central

    Knieps, Melanie; Granhag, Pär A.; Vrij, Aldert

    2014-01-01

    Prospection is thinking about possible future states of the world. Commitment to perform a future action—commonly referred to as intention—is a specific type of prospection. This knowledge is relevant when trying to assess whether a stated intention is a lie or the truth. An important observation is that thinking of, and committing to, future actions often evoke vivid and detailed mental images. One factor that affects how specific a person experiences these simulations is location-familiarity. The purpose of this study was to examine to what extent location-familiarity moderates how liars and truth tellers describe a mental image in an investigative interview. Liars were instructed to plan a criminal act and truth tellers were instructed to plan a non-criminal act. Before they could carry out these acts, the participants were intercepted and interviewed about the mental images they may have had experienced in this planning phase. Truth tellers told the truth whereas liars used a cover story to mask their criminal intentions. As predicted, the results showed that the truth tellers reported a mental image significantly more often than the liars. If a mental image was reported, the content of the descriptions did not differ between liars and truth tellers. In a post interview questionnaire, the participants rated the vividness (i.e., content and clarity) of their mental images. The ratings revealed that the truth tellers had experienced their mental images more vividly during the planning phase than the liars. In conclusion, this study indicates that both prototypical and specific representations play a role in prospection. Although location-familiarity did not moderate how liars and truth tellers describe their mental images of the future, this study allows some interesting insights into human future thinking. How these findings can be helpful for distinguishing between true and false intentions will be discussed. PMID:25071648

  15. Personal Finance Calculations.

    ERIC Educational Resources Information Center

    Argo, Mark

    1982-01-01

    Contains explanations and examples of mathematical calculations for a secondary level course on personal finance. How to calculate total monetary cost of an item, monthly payments, different types of interest, annual percentage rates, and unit pricing is explained. (RM)

  16. Distorted allotropes of bi-benzene: vibronic interactions and electronic excitations

    NASA Astrophysics Data System (ADS)

    Krasnenko, V.; Boltrushko, V.; Hizhnyakov, V.

    2017-05-01

    Bi-benzene - chemically bound two benzene molecules in stuck position is studied both analytically and numerically. There are several allotropes of bi-benzene having different geometry. The reason of the existence of sundry distorted structures is the pseudo-Jahn-Teller effect. The parameters of vibronic couplings causing distortions are found. For the calculation of these parameters both, the vibronic coupling of carbon atoms in different C6 rings and the vibronic coupling in the rings are considered. The contribution of the distortion of C6-planes to the latter coupling is also found. The energies of all the electronic states of π-electrons in all bi-benzene allotropes are determined by using the calculated vibronic interaction parameters.

  17. Theory for Deducing Volcanic Activity From Size Distributions in Plinian Pyroclastic Fall Deposits

    NASA Astrophysics Data System (ADS)

    Iriyama, Yu; Toramaru, Atsushi; Yamamoto, Tetsuo

    2018-03-01

    Stratigraphic variation in the grain size distribution (GSD) of plinian pyroclastic fall deposits reflects volcanic activity. To extract information on volcanic activity from the analyses of deposits, we propose a one-dimensional theory that provides a formula connecting the sediment GSD to the source GSD. As the simplest case, we develop a constant-source model (CS model), in which the source GSD and the source height are constant during the duration of release of particles. We assume power laws of particle radii for the terminal fall velocity and the source GSD. The CS model can describe an overall (i.e., entire vertically variable) feature of the GSD structure of the sediment. It is shown that the GSD structure is characterized by three parameters, that is, the duration of supply of particles to the source scaled by the fall time of the largest particle, ts/tM, and the power indices of the terminal fall velocity p and of the source GSD q. We apply the CS model to samples of the Worzel D ash layer and compare the sediment GSD structure calculated by using the CS model to the observed structure. The results show that the CS model reproduces the overall structure of the observed GSD. We estimate the duration of the eruption and the q value of the source GSD. Furthermore, a careful comparison of the observed and calculated GSDs reveals new interpretation of the original sediment GSD structure of the Worzel D ash layer.

  18. Ray-tracing in three dimensions for calculation of radiation-dose calculations. Master's thesis

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

    Kennedy, D.R.

    1986-05-27

    This thesis addresses several methods of calculating the radiation-dose distribution for use by technicians or clinicians in radiation-therapy treatment planning. It specifically covers the calculation of the effective pathlength of the radiation beam for use in beam models representing the dose distribution. A two-dimensional method by Bentley and Milan is compared to the method of Strip Trees developed by Duda and Hart and then a three-dimensional algorithm built to perform the calculations in three dimensions. The use of PRISMS conforms easily to the obtained CT Scans and provides a means of only doing two-dimensional ray-tracing while performing three-dimensional dose calculations.more » This method is already being applied and used in actual calculations.« less

  19. Symmetry breaking in the planar configurations of disilicon tetrahalides: Pseudo-Jahn-Teller effect parameters, hardness and electronegativity.

    PubMed

    Kouchakzadeh, Ghazaleh; Nori-Shargh, Davood

    2015-11-21

    CCSD(T), MP2, LC-BLYP, LC-ωPBE and B3LYP methods with the Def2-TZVPP basis set and natural bond orbital (NBO) interpretations were performed to investigate the correlations between the Pseudo-Jahn-Teller Effect (PJTE) parameters [i.e. vibronic coupling constant values (F), energy gaps between reference states (Δ) and the primary force constant (K0)], structural and configurational properties, global hardness, global electronegativity, natural bond orders, stabilization energies associated with electron delocalizations and natural atomic charges of disilicon tetrafluoride (1), disilicon tetrachloride (2), disilicon tetrabromide (3) and disilicon tetraiodide (4). All levels of theory showed the trans-bent (C2h) configurations as the energy minimum structures of compounds 1-4, and the flap angles between the X2Si planes and the Si=Si bonds in the distorted (C2h) configurations decrease from compound 1 to compound 4. The negative curvatures of the ground state electronic configurations and the positive curvatures of the excited states of the adiabatic potential energy surfaces (APESs) which resulted from the mixing of the ground Ag and excited B2g states are due to the PJTE (i.e. PJT(Ag + B2g) ⊗ b2g problem). Contrary to the usual expectation, with the decrease of the energy gaps between reference states (Δ), the PJTE stabilization energy, E(PJT), decreases from compound 1 to compound 4. The canonical molecular orbital (CMO) analysis revealed that the contributions of the ψ(HOMO)(b3u) and ψL(UMO)(b1u) molecular orbitals in the vibronic coupling constant (F) decrease from compound 1 to compound 4. This fact clearly justifies the decrease of the vibronic coupling constant (F) and the primary force constant (the force constant without the PJTE) values on going from compound 1 to compound 4, leading to the decrease of the negative curvatures of the ground state electronic configuration curves of their corresponding APESs. The results obtained showed that the

  20. Advance of the perihelion of Mercury deduced from QFT

    NASA Astrophysics Data System (ADS)

    Chen, Shao-Guang

    I deduce the new gravitational formula from the variance in mass of QFT and GR (H05-0029-08, E15-0039 -08, E14-0032-08, D31-0054-10) in the partial differential: f (QFT) = f (GR) = delta∂ (m v)/delta∂ t = f _{P} + f _{C} , f _{P} = m delta∂ v / delta∂ t = - ( G m M /r (2) ) r / r, f _{C} = v delta∂ m / delta∂ t = - ( G m M / r (2) ) v / c (1), f (QFT) is the quasi-Casimir pressure of net virtual neutrinos nuν _{0} flux (after counteract contrary direction nuν _{0}). f (GR) is equivalent to Einstein’s equation, Eq. (1) is a new version of GR and can be solved exactly. Its core content is that the gravity produced by particles collide cannot linear addition, i.e., the nonlinearity of Einstein equation had been replaced by the nonlinearity caused by the variable mass in Eq.(1). Einstein equation can be inferred from Eq.(1) thereby from QFT, but QFT cannot be inferred from Eq.(1) or GR. f (QFT) is essential but f (GR) is phenomenological. Eq.(1) is obtained just by to absorb the essence of corpuscule collided gravitation origin ism proposed by Fatio in 1690 and 1920 Majorana’s experiment concept about gravitational shield effect again fuse with QFT. In my paper ‘QFT’S advance of the perihelion of Mercury, China Science &Technology Overview 125 88-90 (2011)’ QFT gravitational potential U = - G M /r is just the distribution density of net nuν _{0} flux, from SR we again get that: f (QFT) = f _{P} + f _{C}, f _{P} = - m ( delta∂ U / delta∂ r) r / r, f _{C} = - m ( delta∂U / delta∂ r) v / c (2), f _{ P} correspond the change rate of three-dimensional momentum p, f _{C} correspond the change rate of fourth dimensional momentum i m c which show directly as a dissipative force of mass change. According to Eq.(2) the circular motion is instability and elliptic motion is in the auto-stability state. In the fluctuation vacuum a particle with mass M neighbor another particle with mass m, the renormalization mass M and m will be less than that when

  1. Theoretical formulation of optical conductivity of La0.7Ca0.3MnO3 exhibiting paramagnetic insulator - ferromagnetic metal transition

    NASA Astrophysics Data System (ADS)

    Satiawati, L.; Majidi, M. A.

    2017-07-01

    A theory of high-energy optical conductivity of La0.7Ca0.3MnO3 has been proposed previously. The proposed theory works to explain the temperature-dependence of the optical conductivity for the photon energy region above ˜0.5 eV for up to ˜22 eV, but fails to capture the correct physics close to the dc limit in which metal-insulator transition occurs. The missing physics at the low energy has been acknowledged as mainly due to not incorporating phonon degree of freedom and electron-phonon interactions. In this study, we aim to complete the above theory by proposing a more complete Hamiltonian incorporating additional terms such as crystal field, two modes of Jahn-Teller vibrations, and coupling between electrons and the two Jahn-Teller vibrational modes. We solve the model by means of dynamical mean-field theory. At this stage, we aim to derive the analytical formulae involved in the calculation, and formulate the algorithmic implementation for the self-consistent calculation process. Our final goal is to compute the density of states and the optical conductivity for the complete photon energy range from 0 to 22 eV at various temperatures, and compare them with the experimental data. We expect that the improved model preserves the correct temperature-dependent physics at high photon energies, as already captured by the previous model, while it would also reveal ferromagnetic metal - paramagnetic insulator transition at the dc limit.

  2. Multiphase flow calculation software

    DOEpatents

    Fincke, James R.

    2003-04-15

    Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.

  3. Nonadiabatic dynamics of O(1D) + N2(X1Σg+) → O(3P) + N2(X1Σg+) on three coupled potential surfaces: symmetry, Coriolis, spin-orbit, and Renner-Teller effects.

    PubMed

    Defazio, Paolo; Gamallo, Pablo; Petrongolo, Carlo

    2012-02-07

    We present the spin-orbit (SO) and Renner-Teller (RT) quantum dynamics of the spin-forbidden quenching O((1)D) + N(2)(X(1)Σ(g)(+)) → O((3)P) + N(2)(X(1)Σ(g)(+)) on the N(2)O X(1)A', ã(3)A", and b(3)A' coupled PESs. We use the permutation-inversion symmetry, propagate coupled-channel (CC) real wavepackets, and compute initial-state-resolved probabilities and cross sections σ(j(0)) for the ground vibrational and the first two rotational states of N(2), j(0) = 0 and 1. Labeling symmetry angular states by j and K, we report selection rules for j and for the minimum K value associated with any electronic state, showing that ã(3)A" is uncoupled in the centrifugal-sudden (CS) approximation at j(0) = 0. The dynamics is resonance-dominated, the probabilities are larger at low K, σ(j(0)) decrease with the collision energy and increase with j(0), and the CS σ(0) is lower than the CC one. The nonadiabatic interactions play different roles on the quenching dynamics, because the X(1)A'-b(3)A' SO effects are those most important while the ã(3)A"-b(3)A' RT ones are negligible.

  4. Resonance-state properties from a phase shift analysis with the S -matrix pole method and the effective-range method

    NASA Astrophysics Data System (ADS)

    Irgaziev, B. F.; Orlov, Yu. V.

    2015-02-01

    Asymptotic normalization coefficients (ANCs) are fundamental nuclear constants playing an important role in nuclear physics and astrophysics. We derive a new useful relationship between ANCs of the Gamow radial wave function and the renormalized (due to the Coulomb interaction) Coulomb-nuclear partial scattering amplitude. We use an analytical approximation in the form of a series for the nonresonant part of the phase shift which can be analytically continued to the point of an isolated resonance pole in the complex plane of the momentum. Earlier, this method which we call the S -matrix pole method was used by us to find the resonance pole energy. We find the corresponding fitting parameters for the 5He,5Li , and 16O concrete resonance states. Additionally, based on the theory of the effective range, we calculate the parameters of the p3 /2 and p1 /2 resonance states of the nuclei 5He and 5Li and compare them with the results obtained by the S -matrix pole method. ANC values are found which can be used to calculate the reaction rate through the 16O resonances which lie slightly above the threshold for the α 12C channel.

  5. NPR Reactor shield calculations

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

    Peterson, E.G.

    1961-09-27

    At the request of IPD Personnel, calculations on neutron and gamma attenuation were made for the NPR shield. The calculations were made using a new shielding computer code developed for the IBM 7090. The calculations show the thermal neutron flux, total neutron dose rate, and gamma dose rate distribution through the entire shield assembly. The calculations show that the side and top primary shield design is adequate to reduce the radiation level below design tolerances. The radiation leakage through the front shield was higher than the design tolerances. Two alternate biological shield materials were studied for use on the frontmore » face. These two materials were iron serpentine concrete mixtures with densities of 245 lb/ft{sup 3} and 265 lb/ft{sup 3} (designated by I-S-245-P and I-S-265-P, respectively). Both of these concretes reduced the radiation below design tolerances. It is recommended that the present front face biological shield be changed from I-S-220-P to I-S-245-P. With this change the NPR shield is adequate according to these calculations. The calculations reported here do not include leakage through penetration in the shield.« less

  6. Electron impact excitation of carbon monoxide in comet Hale-Bopp

    NASA Astrophysics Data System (ADS)

    Campbell, L.; Brunger, M. J.

    2009-02-01

    The fourth positive emissions of carbon monoxide in the coma of comet Hale-Bopp have been assumed to be due mainly to fluorescence induced by sunlight. Based on this assumption they were used to deduce the abundance of carbon monoxide in the comet, giving a value higher than in other comets. Emissions produced by electron impact excitation of CO were not considered. Recent measurements and theoretical calculations of integral cross sections for electron impact excitation of CO allow the contribution of electron impact to be calculated, giving about 40% of the total. This implies that the abundance of CO in the outer coma of comet Hale-Bopp was only 60% of that previously deduced. However, as the high proportion of CO in comet Hale-Bopp was also seen in some other measurements, alternative explanations are considered. The method of calculation is tested by successfully predicting the O I emission at 1356 Å, supporting the belief that this line is due to electron impact excitation.

  7. Linking Bakhtin with feminist poststructuralism to unravel the allure of auto/biographies

    NASA Astrophysics Data System (ADS)

    Rodriguez, Alberto J.

    2000-03-01

    By linking feminist poststructuralism with Bakhtin's concepts of voice and ventriloquation, an approach is proposed for the critical engagement with auto/biographical text. It is argued that by becoming better aware of the teller's intentionality and her/his insights gained from telling a (re)constructed version of self, the listener and the teller can engage in personal and socially transformative dialog. This dialog can assist the teller/listener to move from superficial affirmation of (re)interpreted lived experiences to more socially responsive action. An example is provided to illustrate implications of this approach for science teaching and education research.

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

    Chinn, D J

    This month's issue has the following articles: (1) The Edward Teller Centennial--Commentary by George H. Miller; (2) Edward Teller's Century: Celebrating the Man and His Vision--Colleagues at the Laboratory remember Edward Teller, cofounder of Lawrence Livermore, adviser to U.S. presidents, and physicist extraordinaire, on the 100th anniversary of his birth; (3) Quark Theory and Today's Supercomputers: It's a Match--Thanks to the power of BlueGene/L, Livermore has become an epicenter for theoretical advances in particle physics; and (4) The Role of Dentin in Tooth Fracture--Studies on tooth dentin show that its mechanical properties degrade with age.

  9. Magneto-structural correlation in Co0.8Cu0.2Cr2O4 cubic spinel

    NASA Astrophysics Data System (ADS)

    Kumar, Ram; Rayaprol, S.; Siruguri, V.; Xiao, Y.; Ji, W.; Pal, D.

    2018-05-01

    Neutron and X-ray diffraction, magnetic susceptibility, and specific heat measurements have been used to investigate the magneto-structural phase transitions in 20% Cu substituted multiferroic CoCr2O4 spinel. The Jahn-Teller active Cu2+ ion in the tetrahedral A-site of the spinel configuration induces the Jahn-Teller distortion slightly above the Néel temperature. In this compound, we observe a Jahn-Teller distortion of the crystal structure at 90 K. It was further observed that the high temperature cubic (Fd 3 ‾ m) structure coexists with the low temperature orthorhombic (Fddd) structure till the lowest temperature of measurement.

  10. The vibronic level structure of the cyclopentadienyl radical

    NASA Astrophysics Data System (ADS)

    Ichino, Takatoshi; Wren, Scott W.; Vogelhuber, Kristen M.; Gianola, Adam J.; Lineberger, W. Carl; Stanton, John F.

    2008-08-01

    The 351.1 nm photoelectron spectrum of the cyclopentadienide ion has been measured, which reveals the vibronic structure of the X~ 2E1'' state of the cyclopentadienyl radical. Equation-of-motion ionization potential coupled-cluster (EOMIP-CCSD) calculations have been performed to construct a diabatic model potential of the X~ 2E1'' state, which takes into account linear Jahn-Teller effects along the e2' normal coordinates as well as bilinear Jahn-Teller effects along the e2' and ring-breathing a1' coordinates. A simulation based on this ab initio model potential reproduces the spectrum very well, identifying the vibronic levels with linear Jahn-Teller angular momentum quantum numbers of +/-1/2. The angular distributions of the photoelectrons for these vibronic levels are highly anisotropic with the photon energies used in the measurements. A few additional weak photoelectron peaks are observed when photoelectrons ejected parallel to the laser polarization are examined. These peaks correspond to the vibronic levels for out-of-plane modes in the ground X~ 2E1'' state, which arise due to several pseudo-Jahn-Teller interactions with excited states of the radical and quadratic Jahn-Teller interaction in the X~ 2E1'' state. A variant of the first derivative of the energy for the EOMIP-CCSD method has been utilized to evaluate the strength of these nonadiabatic couplings, which have subsequently been employed to construct the model potential of the X~ 2E1'' state with respect to the out-of-plane normal coordinates. Simulations based on the model potential successfully reproduce the weak features that become conspicuous in the 0° spectrum. The present study of the photoelectron spectrum complements a previous dispersed fluorescence spectroscopic study Miller and co-workers [J. Chem. Phys. 114, 4855 (2001); 4869 (2001) Miller and co-workers [J. Chem. Phys.114, 4869 (2001)] to provide a detailed account of the vibronic structure of X~ 2E1'' cyclopentadienyl. The electron

  11. Unconventional high-Tc superconductivity in fullerides

    PubMed Central

    Takabayashi, Yasuhiro; Prassides, Kosmas

    2016-01-01

    A3C60 molecular superconductors share a common electronic phase diagram with unconventional high-temperature superconductors such as the cuprates: superconductivity emerges from an antiferromagnetic strongly correlated Mott-insulating state upon tuning a parameter such as pressure (bandwidth control) accompanied by a dome-shaped dependence of the critical temperature, Tc. However, unlike atom-based superconductors, the parent state from which superconductivity emerges solely by changing an electronic parameter—the overlap between the outer wave functions of the constituent molecules—is controlled by the C603− molecular electronic structure via the on-molecule Jahn–Teller effect influence of molecular geometry and spin state. Destruction of the parent Mott–Jahn–Teller state through chemical or physical pressurization yields an unconventional Jahn–Teller metal, where quasi-localized and itinerant electron behaviours coexist. Localized features gradually disappear with lattice contraction and conventional Fermi liquid behaviour is recovered. The nature of the underlying (correlated versus weak-coupling Bardeen–Cooper–Schrieffer theory) s-wave superconducting states mirrors the unconventional/conventional metal dichotomy: the highest superconducting critical temperature occurs at the crossover between Jahn–Teller and Fermi liquid metal when the Jahn–Teller distortion melts. This article is part of the themed issue ‘Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene’. PMID:27501971

  12. Synthesis, DFT calculations, electronic structure, electronic absorption spectra, natural bond orbital (NBO) and nonlinear optical (NLO) analysis of the novel 5-methyl-8H-benzo[h]chromeno[2,3-b][1,6] naphthyridine-6(5H),8-dione (MBCND)

    NASA Astrophysics Data System (ADS)

    Halim, Shimaa Abdel; Ibrahim, Magdy A.

    2017-02-01

    New derivative of heteroannulated chromone identified as 5-methyl-8H-benzo[h]chromeno[2,3-b][1,6]naphthyridine-6(5H),8-dione (5, MBCND) was easily and efficiently synthesized from DBU catalyzed condensation reaction of 2-aminochromone-3-carboxaldehyde (1) with 4-hydroxy-1-methylquinolin-2(1H)-one (2). The same product 5 was isolated from condensation reaction of aldeyde 1 with 3-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-oxopropanoic acid (3) or ethyl 4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-2,4-dioxobutanoate (4). Structure of compound (5, MBCND) was deduced based on their elemental analyses and spectral data (IR, 1H NMR and mass spectra). Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p) level of theory have been carried out to investigate the equilibrium geometry of the novel compound (5, MBCND). Moreover, total energy, energy of HOMO and LUMO and Mullikan atomic charges were calculated. In addition, the dipole moment, theoretical study of the electronic structure, nonlinear optical properties (NLO), and natural bonding orbital (NBO) analysis and orientation have been performed and discussed. Also the electronic absorption spectra were measured in polar (methanol) as well as non polar (dioxane) solvents and the assignment of the observed bands has been discussed by TD-DFT calculations. The correspondences between calculated and experimental transitions energies are satisfactory.

  13. Electronic instability and change of crystalline phase in compounds of the V3Si type at low temperature

    NASA Technical Reports Server (NTRS)

    Labbe, J.; Friedel, J.

    1978-01-01

    In V3Si, the V atoms form an array of dense linear chains; a tight-binding approximation in one dimension was used to describe the d electrons. The electronic energy calculated by this method was reduced when the lattice is deformed. This lead to a band type of the Jahn Teller effect, which may explain the cubic to tetragonal transition which was observed at low temperatures. The theory can be extended to other superconductors of the V3X type when X=Ga, Ge, Sn, etcetera, or NB3SN.

  14. A binuclear Mn(III) complex of a scorpiand-like ligand displaying a single unsupported Mn(III)-O-Mn(III) bridge.

    PubMed

    Blasco, Salvador; Cano, Joan; Clares, M Paz; García-Granda, Santiago; Doménech, Antonio; Jiménez, Hermas R; Verdejo, Begoña; Lloret, Francesc; García-España, Enrique

    2012-11-05

    The crystal structure of a binuclear Mn(III) complex of a scorpiand-like ligand (L) displays an unsupported single oxo bridging ligand with a Mn(III)-O-Mn(III) angle of 174.7°. Magnetic susceptibility measurements indicate strong antiferromagnetic coupling between the two metal centers. DFT calculations have been carried out to understand the magnetic behavior and to analyze the nature of the observed Jahn-Teller distortion. Paramagnetic (1)H NMR has been applied to rationalize the formation and magnetic features of the complexes formed in solution.

  15. Vibronic coupling simulations for linear and nonlinear optical processes: Theory

    NASA Astrophysics Data System (ADS)

    Silverstein, Daniel W.; Jensen, Lasse

    2012-02-01

    A comprehensive vibronic coupling model based on the time-dependent wavepacket approach is derived to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering. This approach is particularly well suited for combination with first-principles calculations. Expressions for the Franck-Condon terms, and non-Condon effects via the Herzberg-Teller coupling approach in the independent-mode displaced harmonic oscillator model are presented. The significance of each contribution to the different spectral types is discussed briefly.

  16. Current deformation in Central Afar and triple junction kinematics deduced from GPS and InSAR measurements

    NASA Astrophysics Data System (ADS)

    Doubre, Cécile; Déprez, Aline; Masson, Frédéric; Socquet, Anne; Lewi, Elias; Grandin, Raphaël; Nercessian, Alexandre; Ulrich, Patrice; De Chabalier, Jean-Bernard; Saad, Ibrahim; Abayazid, Ahmadine; Peltzer, Gilles; Delorme, Arthur; Calais, Eric; Wright, Tim

    2017-02-01

    Kinematics of divergent boundaries and Rift-Rift-Rift junctions are classically studied using long-term geodetic observations. Since significant magma-related displacements are expected, short-term deformation provides important constraints on the crustal mechanisms involved both in active rifting and in transfer of extensional deformation between spreading axes. Using InSAR and GPS data, we analyse the surface deformation in the whole Central Afar region in detail, focusing on both the extensional deformation across the Quaternary magmato-tectonic rift segments, and on the zones of deformation transfer between active segments and spreading axes. The largest deformation occurs across the two recently activated Asal-Ghoubbet (AG) and Manda Hararo-Dabbahu (MH-D) magmato-tectonic segments with very high strain rates, whereas the other Quaternary active segments do not concentrate any large strain, suggesting that these rifts are either sealed during interdyking periods or not mature enough to remain a plate boundary. Outside of these segments, the GPS horizontal velocity field shows a regular gradient following a clockwise rotation of the displacements from the Southeast to the East of Afar, with respect to Nubia. Very few shallow creeping structures can be identified as well in the InSAR data. However, using these data together with the strain rate tensor and the rotations rates deduced from GPS baselines, the present-day strain field over Central Afar is consistent with the main tectonic structures, and therefore with the long-term deformation. We investigate the current kinematics of the triple junction included in our GPS data set by building simple block models. The deformation in Central Afar can be described by adding a central microblock evolving separately from the three surrounding plates. In this model, the northern block boundary corresponds to a deep EW-trending trans-tensional dislocation, locked from the surface to 10-13 km and joining at depth the

  17. Cosmic Microwave Background Timeline

    Science.gov Websites

    about 2.3 K 1948: George Gamow, Ralph Alpher, and Robert Herman predict that a Big Bang universe perfect blackbody spectrum and thereby strongly supporting the hot big bang model, the thermal history of anisotropy in the cosmic microwave background, this strongly supports the big bang model with gravitational

  18. Electron-spin-resonance studies of 12CH3F + , 13CH3F + , and 12CH2DF + in neon matrices at 4 K: Comparison with theoretical calculations

    NASA Astrophysics Data System (ADS)

    Knight, Lon B., Jr.; Gregory, Brian W.; Hill, Devon W.; Arrington, C. A.; Momose, Takamasa; Shida, Tadamasa

    1991-01-01

    Various isotopic forms of the methyl fluoride cation 12CH3F+, 13CH3F+, and 12CH2DF+ have been generated by photoionization at 16.8 eV and separately by electron bombardment at 50 eV. The first electron-spin-resonance (ESR) results are reported for this radical cation which was isolated in neon matrices at 4 K. The measured A tensors or nuclear hyperfine parameters were compared with the results obtained from various computational approaches. Surprising observations were the large amounts of spin density on the methyl group, especially the hydrogen atoms, and the extreme differences in the deuterated spectra compared to the nondeuterated case. The presence of a single D atom apparently acts to prevent dynamic Jahn-Teller averaging which makes the methyl hydrogens equivalent on the ESR time scale. Such a dramatic Jahn-Teller effect has been previously observed for the similar methane cations CH+4 and CH2D+2. The magnetic parameters for CH2DF+ in neon at 4 K are gX=2.0032(5), gY=2.0106(8), and gZ=2.0120(5); for H: AX = 483(1), AY=476(1), and AZ=483(1) MHz; for D: ‖AX‖=5.0(3), ‖AY‖<3, and ‖AZ‖=7.1(3) MHz; for 19F : AX=965(1), AY=-130(2), and AZ=-166(1) MHz. For CH3F+, the g tensor and 19F A tensor were similar to those above but the H atoms were equivalent with values of AX=317(1), AY=323(2), and AZ=312 MHz.

  19. Structural evolution of the methane cation in subfemtosecond photodynamics

    NASA Astrophysics Data System (ADS)

    Mondal, T.; Varandas, A. J. C.

    2015-07-01

    An ab initio quantum dynamics study has been performed to explore the structural rearrangement of ground state CH 4+ in subfemtosecond resolved photodynamics. The method utilizes time-dependent wave-packet propagation on the X ˜ 2 T 2 electronic manifold of the title cation in full dimensionality, including nonadiabatic coupling of the three electronic sheets. Good agreement is obtained with recent experiments [Baker et al., Science 312, 424 (2006)] which use high-order harmonic generation to probe the attosecond proton dynamics. The novel results provide direct theoretical support of the observations while unravelling the underlying details. With the geometrical changes obtained by calculating the expectation values of the nuclear coordinates as a function of time, the structural evolution is predicted to begin through activation of the totally symmetric a1 and doubly degenerate e modes. While the former retains the original Td symmetry of the cation, the Jahn-Teller active e mode conducts it to a D2d structure. At ˜1.85 fs, the intermediate D2d structure is further predicted to rearrange to local C2v minimum geometry via Jahn-Teller active bending vibrations of t2 symmetry.

  20. COMPARATIVE STUDY ON THE LEVEL OF BACTERIOLOGICAL CONTAMINATION OF AUTOMATIC TELLER MACHINES, PUBLIC TOILETS AND PUBLIC TRANSPORT COMMERCIAL MOTORCYCLE CRASH HELMETS IN KIGALI CITY, RWANDA.

    PubMed

    Nigatu, W; Fabiola, N S; Flora, I J; Mukahirwa, M A; Omar, M; Nsengimana, J; Nsabimana, A

    2014-12-01

    The environments can be contaminated by infectious agents that constitute a major health hazards as sources of community and hospital-acquired infections due to various activities. A comparative study on the level of bacteriological contamination of automatic teller machines (ATMs), public toilets and commercial motorcycle crash helmets were conducted in Kigali city during the period of January to March, 2013. Samples were collected from selected ATMs, public toilets and commercial motorcycle crash helmets surfaces. Micro-organisms identified from these samples were associated to infecting organisms recovered from unwashed hands surfaces and recorded results in the nearby hospital. Samples from each device and subject were transported to the laboratory where they were analysed for the presence of coliforms and other airborne, human skin and intestinal disease causing microorganisms. Microbiological methods including spread plate techniques and some biochemical tests were used to partially identify the microorganisms. Subjects involved in this study were consented students from University of Rwanda and Kigali motorcyclists for collections of samples from hands and crash helmets respectively. The following pathogenic bacteria have been found on the devices, Staphylococcus aureus, Staphylococcus epidermis, Streptococcus species, Escherichia coli, Salmonella, Klebsiella, Enterobacter aerogenes, Pseudomonas. The commercial motorcycle crash helmets had the highest level of bacteriological contamination compared to ATMs and public toilets. There was no growth observed on samples collected after treatment from ATMs, public toilets, and commercial motorcycle crash helmets. Attempt to correlate this finding with infecting organisms recovered from unwashed hands surfaces and recorded results in the nearby hospital show that the presences of some of these infectious pathogens. This study has revealed the ability of these public devices to serve as vehicle of transmission of