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.

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.

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.

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

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.

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.

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

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.

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.

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

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|.

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.

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.

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

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.

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.

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.

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.

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

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

Oscillator strength of symmetry-forbidden d-d absorption of octahedral transition metal complex: theoretical evaluation.

PubMed

Saito, Ken; Eishiro, Yoshinori; Nakao, Yoshihide; Sato, Hirofumi; Sakaki, Shigeyoshi

2012-03-05

The theoretical evaluation of the oscillator strength of a symmetry-forbidden d-d transition is not easy even nowadays. A new approximate method is proposed here and applied to octahedral complexes [Co(NH(3))(6)](3+) and [Rh(NH(3))(6)](3+) as an example. Our method incorporates the effects of geometry distortion induced by molecular vibration and the thermal distribution of such distorted geometries but does not need the Herzberg-Teller approximation. The calculated oscillator strengths of [Co(NH(3))(6)](3+) agree well with the experimental values in both (1)A(1g) → (1)T(1g) and (1)A(1g) → (1)T(2g) transitions. In the Rh analogue, though the calculated oscillator strengths are somewhat smaller than the experimental values, computational results reproduce well the experimental trends that the oscillator strengths of [Rh(NH(3))(6)](3+) are much larger than those of the Co analogue and the oscillator strength of the (1)A(1g) → (1)T(1g) transition is larger than that of the (1)A(1g) → (1)T(2g) transition. It is clearly shown that the oscillator strength is not negligibly small even at 0 K because the distorted geometry (or the uncertainty in geometry) by zero-point vibration contributes to the oscillator strength at 0 K. These results are discussed in terms of frequency of molecular vibration, extent of distortion induced by molecular vibration, and charge-transfer character involved in the d-d transition. The computational results clearly show that our method is useful in evaluating and discussing the oscillator strength of symmetry-forbidden d-d absorption of transition metal complex.

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.

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.

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

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.

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…

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.

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…

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

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.

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.

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.

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....

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.

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.

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.

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.

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.

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.

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.

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.

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.

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

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.

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.

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.

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.

Electric Monopole Transition Strengths in 62Ni

NASA Astrophysics Data System (ADS)

Evitts, L. J.; Garnsworthy, A. B.; Kibédi, T.; Moukaddam, M.; Alshahrani, B.; Eriksen, T. K.; Holt, J. D.; Hota, S. S.; Lane, G. J.; Lee, B. Q.; McCormick, B. P.; Palalani, N.; Reed, M. W.; Stroberg, S. R.; Stuchbery, A. E.

2016-09-01

Excited states in 62Ni were populated with a (p, p') reaction using the 14UD Pelletron accelerator at the Australian National University. Electric monopole transition strengths, ρ2(E0), were measured through simultaneous detection of the internal conversion electrons and γ rays emitted from the de-excitation of populated states, using the Super-e spectrometer coupled with a germanium detector. The strength of the 02+ to 01+ transition has been measured to be 77-34+23 × 10-3 and agrees with previously reported values. Upper limits have been placed on the 03+ to 01+ and 03+ to 02+ transitions. The measured ρ2(E0) value of the 22+ to 21+ transition in 62Ni has been measured for the first time and found to be one of the largest ρ2(E0) values measured to date in nuclei heavier than Ca. The low-lying states of 62Ni have previously been classified as one- and two-phonon vibrational states based on level energies. The measured electric quadrupole transition strengths are consistent with this interpretation. However as electric monopole transitions are forbidden between states which differ by one phonon number, the simple harmonic quadrupole vibrational picture is not suffcient to explain the large ρ2(E0) value for the 22+ to 21+ transition.

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.

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.

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.

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

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.

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.

Electric Monopole Transition Strengths in the Stable Nickel Isotopes

NASA Astrophysics Data System (ADS)

Evitts, Lee John

A series of measurements of stable nickel isotopes were performed at the Australian National University in Canberra. Excited states in 58,60,62Ni were populated via inelastic scattering of proton beams delivered by the 14UD Pelletron accelerator. Multiple setups were used in order to determine the structure of low-lying states. The CAESAR array of Compton-suppressed HPGe detectors was used to measure the (E2/M1) mixing ratio of transitions from angular distributions of gamma rays. The Super-e spectrometer was used to measure conversion coefficients for a number of J to J transitions. The data obtained from both devices was combined with previously measured parent lifetimes and branching ratios to determine E0 transition strengths between J-pi transitions. The E0 transition strength for the second 0+ to first 0+ transitions in 60,62Ni have been measured for the first time through internal conversion electron detection. The experimental value of 132(+59,-70) for 62Ni agrees within 2 sigma of the previous result obtained from internal pair formation. However it is likely that the previous experimental results used an outdated theoretical model for internal pair formation emission. This work also represents the first measurements of E0 transition strengths between 2+ states in Ni isotopes. There is generally large E0 strength between the 2+ states, particularly in the second 2+ to first 2+ transition, however there is also a large uncertainty in the measurements owing to the difficulties involved in measuring conversion coefficients. In 62Ni, the E0 transition strength of 172(+62,-77) for the second 2+ to first 2+ transition gives further weight to the argument against the spherical vibrator model, as an E0 transition is forbidden if there is a change of only one phonon. The large measurement also indicates the presence of shape coexistence, complementing the recent experimental work carried out in the neutron-rich Ni isotopes.

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.

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.

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.

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.

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

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.

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.

Random matrix theory for transition strengths: Applications and open questions

NASA Astrophysics Data System (ADS)

Kota, V. K. B.

2017-12-01

Embedded random matrix ensembles are generic models for describing statistical properties of finite isolated interacting quantum many-particle systems. A finite quantum system, induced by a transition operator, makes transitions from its states to the states of the same system or to those of another system. Examples are electromagnetic transitions (then the initial and final systems are same), nuclear beta and double beta decay (then the initial and final systems are different) and so on. Using embedded ensembles (EE), there are efforts to derive a good statistical theory for transition strengths. With m fermions (or bosons) in N mean-field single particle levels and interacting via two-body forces, we have with GOE embedding, the so called EGOE(1+2). Now, the transition strength density (transition strength multiplied by the density of states at the initial and final energies) is a convolution of the density generated by the mean-field one-body part with a bivariate spreading function due to the two-body interaction. Using the embedding U(N) algebra, it is established, for a variety of transition operators, that the spreading function, for sufficiently strong interactions, is close to a bivariate Gaussian. Also, as the interaction strength increases, the spreading function exhibits a transition from bivariate Breit-Wigner to bivariate Gaussian form. In appropriate limits, this EE theory reduces to the polynomial theory of Draayer, French and Wong on one hand and to the theory due to Flambaum and Izrailev for one-body transition operators on the other. Using spin-cutoff factors for projecting angular momentum, the theory is applied to nuclear matrix elements for neutrinoless double beta decay (NDBD). In this paper we will describe: (i) various developments in the EE theory for transition strengths; (ii) results for nuclear matrix elements for 130Te and 136Xe NDBD; (iii) important open questions in the current form of the EE theory.

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.

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).

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.

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.

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%.

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…

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.

Can the oscillator strength of the quantum dot bandgap transition exceed unity?

NASA Astrophysics Data System (ADS)

Hens, Z.

2008-10-01

We discuss the apparent contradiction between the Thomas-Reiche-Kuhn sum rule for oscillator strengths and recent experimental data on the oscillator strength of the band gap transition of quantum dots. Starting from two simple single electron model systems, we show that the sum rule does not limit this oscillator strength to values below unity, or below the number of electrons in the highest occupied single electron state. The only upper limit the sum rule imposes on the oscillator strength of the quantum dot band gap transition is the total number of electrons in the quantum dot.

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.

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

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

Effective Collision Strengths for Fine-structure Transitions in Si VII

NASA Astrophysics Data System (ADS)

Sossah, A. M.; Tayal, S. S.

2014-05-01

The effective collision strengths for electron-impact excitation of fine-structure transitions in Si VII are calculated as a function of electron temperature in the range 5000-2,000,000 K. The B-spline Breit-Pauli R-matrix method has been used to calculate collision strengths by electron impact. The target wave functions have been obtained using the multi-configuration Hartree-Fock method with term-dependent non-orthogonal orbitals. The 92 fine-structure levels belonging to the 46 LS states of 2s 22p 4, 2s2p 5, 2p 6, 2s 22p 33s, 2s 22p 33p, 2s 22p 33d, and 2s2p 43s configurations are included in our calculations of oscillator strengths and collision strengths. There are 4186 possible fine-structure allowed and forbidden transitions among the 92 levels. The present excitation energies, oscillator strengths, and collision strengths have been compared with previous theoretical results and available experimental data. Generally, a good agreement is found with the 6 LS-state close-coupling approximation results of Butler & Zeippen and the 44 LS-state distorted wave calculation of Bhatia & Landi.

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...

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.

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...

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.

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

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…

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

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.

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

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.

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.

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.

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.

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

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

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.

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.

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.

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.

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.

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.

Identification of significant E0 strength in the 22+ → 21+ transitions of 58,60,62Ni

NASA Astrophysics Data System (ADS)

Evitts, L. J.; Garnsworthy, A. B.; Kibédi, T.; Smallcombe, J.; Reed, M. W.; Brown, B. A.; Stuchbery, A. E.; Lane, G. J.; Eriksen, T. K.; Akber, A.; Alshahrani, B.; de Vries, M.; Gerathy, M. S. M.; Holt, J. D.; Lee, B. Q.; McCormick, B. P.; Mitchell, A. J.; Moukaddam, M.; Mukhopadhyay, S.; Palalani, N.; Palazzo, T.; Peters, E. E.; Ramirez, A. P. D.; Stroberg, S. R.; Tornyi, T.; Yates, S. W.

2018-04-01

The E0 transition strength in the 22+ →21 + transitions of 58,60,62Ni have been determined for the first time following a series of measurements at the Australian National University (ANU) and the University of Kentucky (UK). The CAESAR Compton-suppressed HPGe array and the Super-e solenoid at ANU were used to measure the δ (E 2 / M 1) mixing ratio and internal conversion coefficient of each transition following inelastic proton scattering. Level half-lives, δ (E 2 / M 1) mixing ratios and γ-ray branching ratios were measured at UK following inelastic neutron scattering. The new spectroscopic information was used to determine the E0 strengths. These are the first 2+ →2+E0 transition strengths measured in nuclei with spherical ground states and the E0 component is found to be unexpectedly large; in fact, these are amongst the largest E0 transition strengths in medium and heavy nuclei reported to date.

Core excitation effects on oscillator strengths for transitions in four electron atomic systems

NASA Astrophysics Data System (ADS)

Chang, T. N.; Luo, Yuxiang

2007-06-01

By including explicitly the electronic configurations with two and three simultaneously excited electronic orbital, we have extended the BSCI (B-spline based configuration interaction) method [1] to estimate directly the effect of inner shell core excitation to oscillator strengths for transitions in four-electron atomic systems. We will present explicitly the change in oscillator strengths due to core excitations, especially for transitions involving doubly excited states and those with very small oscillator strengths. The length and velocity results are typically in agreement better than 1% or less. [1] Tu-nan Chang, in Many-body Theory of Atomic Structure and Photoionization, edited by T. N. Chang (World Scientific, Singapore, 1993), p. 213-47; and T. N. Chang and T. K. Fang, Elsevier Radiation Physics and Chemistry 70, 173-190 (2004).

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.

Oscillator strengths and branching fractions of 4d75p-4d75s Rh II transitions

NASA Astrophysics Data System (ADS)

Bouazza, Safa

2017-01-01

This work reports semi-empirical determination of oscillator strengths, transition probabilities and branching fractions for Rh II 4d75p-4d75s transitions in a wide wavelength range. The angular coefficients of the transition matrix, beforehand obtained in pure SL coupling with help of Racah algebra are transformed into intermediate coupling using eigenvector amplitudes of these two configuration levels determined for this purpose; The transition integral was treated as free parameter in the least squares fit to experimental oscillator strength (gf) values found in literature. The extracted value: <4d75s|r1|4d75p> =2.7426 ± 0.0007 is slightly smaller than that computed by means of ab-initio method. Subsequently to oscillator strength evaluations, transition probabilities and branching fractions were deduced and compared to those obtained experimentally or through another approach like pseudo-relativistic Hartree-Fock model including core-polarization effects.

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...

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

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

Level Energies, Oscillator Strengths and Lifetimes for Transitions in Pb IV

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

Colon, C.; Alonso-Medina, A.; Zanon, A.

2008-10-22

Oscillator strengths for several lines of astrophysical interest arising from some configurations and some levels radiative lifetimes of Pb IV have been calculated. These values were obtained in intermediate coupling (IC) and using ab initio relativistic Hartree-Fock calculations. We use for the IC calculations the standard method of least square fitting of experimental energy levels by means of computer codes from Cowan. Transition Probabilities and oscillator strengths obtained, although in general agreement with the rare experimental data, do present some noticeable discrepancies that are studied in the text.

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.

Towards a critical transition theory under different temporal scales and noise strengths

NASA Astrophysics Data System (ADS)

Shi, Jifan; Li, Tiejun; Chen, Luonan

2016-03-01

The mechanism of critical phenomena or critical transitions has been recently studied from various aspects, in particular considering slow parameter change and small noise. In this article, we systematically classify critical transitions into three types based on temporal scales and noise strengths of dynamical systems. Specifically, the classification is made by comparing three important time scales τλ, τtran, and τergo, where τλ is the time scale of parameter change (e.g., the change of environment), τtran is the time scale when a particle or state transits from a metastable state into another, and τergo is the time scale when the system becomes ergodic. According to the time scales, we classify the critical transition behaviors as three types, i.e., state transition, basin transition, and distribution transition. Moreover, for each type of transition, there are two cases, i.e., single-trajectory transition and multitrajectory ensemble transition, which correspond to the transition of individual behavior and population behavior, respectively. We also define the critical point for each type of critical transition, derive several properties, and further propose the indicators for predicting critical transitions with numerical simulations. In addition, we show that the noise-to-signal ratio is effective to make the classification of critical transitions for real systems.

Oscillator Strengths and Predissociation Widths for Rydberg Transitions in Carbon Monoxide

NASA Technical Reports Server (NTRS)

Federman, Steven R.; Sheffer, Y.; Eidelsberg, Michele; Lemaire, Jean-Louis; Fillion, Jean-Hugues; Rostas, Francois; Ruiz, J.

2006-01-01

CO is used as a probe of astronomical environments ranging from planetary atmospheres and comets to interstellar clouds and the envelopes surrounding stars near the end of their lives. One of the processes controlling the CO abundance and the ratio of its isotopomers is photodissociation. Accurate oscillator strengths for Rydberg transitions are needed for modeling this process. Absorption bands were analyzed by synthesizing the profiles with codes developed independently in Meudon and Toledo. Each synthetic spectrum was adjusted to match the experimental one in a non-linear least-squares fitting procedure with the band oscillator strength, the line width (instrumental and predissociation.

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

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.

Oscillator Strengths of Allowed and Intercombination Transitions in Neutral Sulfur

NASA Technical Reports Server (NTRS)

Tayal, S. S.

1998-01-01

We have calculated oscillator strengths and transition probabilities of electric-dipole allowed and intercombination transitions from fine-structure levels of the ground 3s(sup 2)3p(sup 4) configuration to the levels belonging to configurations 3s(sup 2)3p(sup 3)4s, 3s(sup 2) 3p(sup 3)5s, 3(sup 2)3p(sup 3)3d, 3s(sup 2)3p(sup 3)4d of neutral sulfur. Extensive configuration-interaction wave functions are used to represent these levels. The relativistic corrections have been included through the Breit-Pauli Hamiltonian. The results are compared with previous theoretical calculations and with measurements.

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.

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

Non percolative nature of the metal-insulator transition and persistence of local Jahn-Teller distortions in the rhombohedral regime of La 1-xCa xMnO 3

DOE PAGES

Shatnawi, Mouath; Bozin, Emil S.; Mitchell, J. F.; ...

2016-04-25

Evolution of the average and local crystal structure of Ca-doped LaMnO 3 has been studied across the metal to insulator (MI) and the orthorhombic to rhombohedral (OR) structural phase transitions over a broad temperature range for two Ca concentrations (x = 0.18,0.22). Combined Rietveld and high real space resolution atomic pair distribution function (PDF) analysis of neutron total scattering data was carried out with aims of exploring the possibility of nanoscale phase separation (PS) in relation to MI transition, and charting the evolution of local Jahn-Teller (JT) distortion of MnO 6 octahedra across the OR transition at T S~720 K.more » The study utilized explicit two-phase PDF structural modeling, revealing that away from T MI there is no evidence for nanoscale phase coexistence. The local JT distortions disappear abruptly upon crossing into the metallic regime both with doping and temperature, with only a small temperature-independent signature of quenched disorder being observable at low temperature as compared to CaMnO 3. The results hence do not support the percolative scenario for the MI transition in La 1–xCa xMnO 3 based on PS, and question its ubiquity in the manganites. In contrast to LaMnO 3 that exhibits long-range orbital correlations and sizable octahedral distortions at low temperature, the doped samples with compositions straddling the MI boundary exhibit correlations (in the insulating regime) limited to only ~1 nm with observably smaller distortions. In the x = 0.22 sample local JT distortions are found to persist across the OR transition and deep into the R phase (up to ~1050 K), where they are crystallographically prohibited. As a result, their magnitude and subnanometer spatial extent remain unchanged.« less

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

Determination of the Oscillator Strengths for the Third and Fourth Vibrational Overtone Transitions in Simple Alcohols

NASA Astrophysics Data System (ADS)

Wallberg, Jens; Kjaergaard, Henrik G.

2017-06-01

Absolute measurements of the weak transitions require sensitive spectroscopic techniques. With our recently constructed pulsed cavity ring down (CRD) spectrometer, we have recorded the third and fourth vibrational overtone of the OH stretching vibration in a series of simple alcohols: methanol (MeOH), ethanol (EtOH), 1-propanol (1-PrOH), 2-propanol (2-PrOH) and tert-butanol (tBuOH). The CRD setup (in a flow cell configuration) is combined with a conventional FTIR spectrometer to determine the partial pressure of the alcohols from the fundamental transitions of the OH-stretching vibration. The oscillator strengths of the overtone transitions are determined from the integrated absorbances of the overtone spectra and the partial pressures. Furthermore, the oscillator strengths were calculated using vibrational local mode theory with energies and dipole moments calculated at CCSD(T)/aug-cc-pVTZ level of theory. We find a good agreement between the observed and calculated oscillator strengths across the series of alcohols.

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.

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

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.

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.

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.

Lithospheric strength across the ocean-continent transition in the NW of the Iberian Peninsula

NASA Astrophysics Data System (ADS)

Martín-Velázquez, Silvia; Martín-González, Fidel

2014-05-01

The main objective of this work is to investigate the relation between the strength of the lithosphere and the observed pattern of seismicity across the ocean-continent transition in the NW margin of the Iberian Peninsula. The seismicity is diffuse in this intraplate area, far from the seismically active margin of the plate: the Eurasia-African plate boundary, where convergence occurs at a rate of 4-5mm/year. The earthquake epicentres are mainly limited to an E-W trending zone (onshore seismicity is more abundant than offshore), and most earthquakes occur at depths less than 30 km, however, offshore depths are up to 150 km). Moreover, one of the problems to unravel in this area is that the seismotectonic interpretations of the anomalous seismicity in the NW peninsular are contradictory. The temperature and strength profiles have been modelled in three domains along the non-volcanic rifted West Iberian Margin: 1) the oceanic lithosphere of the Iberian Abyssal Plain, 2) the oceanic lithosphere near the ocean-continent transition of the Galicia Bank, and 3) the continental lithosphere of the NW Iberian Massif. The average bathymetry and topography have been used to fit the thermal structures of the three types of lithospheres, given that the heat flow and heat production values show a varied range. The geotherms, together with the brittle and ductile rheological laws, have been used to calculate the strength envelopes in different stress regimes (compression, shear and tensile). The continental lithosphere-asthenosphere boundary is located at 123 km and several brittle-ductile transitions appear in the crust and the mantle. However, the oceanic lithospheres are thinner (110 km near the Galicia Bank and 87 km in the Iberian Abbysal Plain) and more simple (brittle behaviour in the crust and upper mantle). The earthquake distribution is best explained by lithospheres with dry compositions and shear or tensile stress regimes. These results are similar can be compared to

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.

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)

Finite-size scaling with respect to interaction and disorder strength at the many-body localization transition

NASA Astrophysics Data System (ADS)

Kudo, Kazue; Deguchi, Tetsuo

2018-06-01

We present a finite-size scaling for both interaction and disorder strengths in the critical regime of the many-body localization (MBL) transition for a spin-1/2 X X Z spin chain with a random field by studying level statistics. We show how the dynamical transition from the thermal to MBL phase depends on interaction together with disorder by evaluating the ratio of adjacent level spacings, and thus, extend previous studies in which interaction coupling is fixed. We introduce an extra critical exponent in order to describe the nontrivial interaction dependence of the MBL transition. It is characterized by the ratio of the disorder strength to the power of the interaction coupling with respect to the extra critical exponent and not by the simple ratio between them.

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

Relative Band Oscillator Strengths for Carbon Monoxide: Alpha (1)Pi-Chi (1)Sigma(+) Transitions

NASA Technical Reports Server (NTRS)

Federman, S. R.; Menningen, K. L.; Lee, Wei; Stoll, J. B.

1997-01-01

Band oscillator strengths for CO transitions between the electronic states A (l)Pi and X(1)Sigma(+) were measured via absorption with a synchrotron radiation source. When referenced to the well-characterized (5,0) band oscillator strength, our relative values for the (7,0) to (11,0) bands are most consistent with the recent experiments of Chan et al. and the theoretical predictions of Kirby & Cooper. Since the results from various laboratory techniques and theory now agree, analyses of interstellar CO based on absorption from A-X bands are no longer hindered by uncertainties in oscillator strength.

Oscillator strengths of the optical transitions in a semiconductor superlattice under an electric field

NASA Astrophysics Data System (ADS)

Tronc, P.

1992-04-01

The oscillator strengths of the optical transitions in a semiconductor superlattice under an electric field parallel to the growth axis can be calculated using a perturbative model with Bloch envelope functions. The applied electric field and the electron-hole interaction inducing formation of indirect excitons both induce strength asymmetry between the oblique +p and -p transitions of the Wannier-Stark ladder. Features of the photocurrent spectra recorded at low temperature can be accounted for by the present model in a very simple manner. Les forces d'oscillateur des transitions optiques dans un superréseau semiconducteur soumis à un champ électrique parallèle à la direction de croissance, peuvent être calculées à l'aide d'un modèle de perturbation avec des fonctions enveloppes de Bloch. Le champ électrique appliqué ainsi que l'interaction électron-trou, qui induit la formation d'excitons indirects, entraînent une asymétrie entre les forces d'oscillateur des transitions +p et -p dans l'échelle de Wannier-Stark. Certaines caractéristiques des spectres de photocourant enregistrés à basse température peuvent être prévues d'une manière très simple.

Cooperative effect of random and time-periodic coupling strength on synchronization transitions in one-way coupled neural system: mean field approach.

PubMed

Jiancheng, Shi; Min, Luo; Chusheng, Huang

2017-08-01

The cooperative effect of random coupling strength and time-periodic coupling strengh on synchronization transitions in one-way coupled neural system has been investigated by mean field approach. Results show that cooperative coupling strength (CCS) plays an active role for the enhancement of synchronization transitions. There exist an optimal frequency of CCS which makes the system display the best CCS-induced synchronization transitions, a critical frequency of CCS which can not further affect the CCS-induced synchronization transitions, and a critical amplitude of CCS which can not occur the CCS-induced synchronization transitions. Meanwhile, noise intensity plays a negative role for the CCS-induced synchronization transitions. Furthermore, it is found that the novel CCS amplitude-induced synchronization transitions and CCS frequency-induced synchronization transitions are found.

Line strengths of QED-sensitive forbidden transitions in B-, Al-, F- and Cl-like ions

NASA Astrophysics Data System (ADS)

Bilal, M.; Volotka, A. V.; Beerwerth, R.; Fritzsche, S.

2018-05-01

The magnetic dipole (M 1 ) line strength between the fine-structure levels of the ground configurations in B-, F-, Al-, and Cl-like ions are calculated for the four elements argon, iron, molybdenum, and tungsten. Systematically enlarged multiconfiguration Dirac-Hartree-Fock (MCDHF) wave functions are employed to account for the interelectronic interaction with the Breit interaction included in first-order perturbation theory. The QED corrections are evaluated to all orders in α Z utilizing an effective potential approach. The calculated line strengths are compared with the results of other theories. The M 1 transition rates are reported using accurate energies from the literature. Moreover, the lifetimes in the range of millisecond to picosecond are predicted including the contributions from the transition rate due to the E 2 transition channel. The discrepancies of the predicted rates from those available from the literature are discussed and a benchmark data set of theoretical lifetimes is provided to support future experiments.

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.

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+.

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)

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.

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.

Energy Levels and Oscillator Strengths for Allowed Transitions in S III

NASA Technical Reports Server (NTRS)

Tayal, S. S.

1995-01-01

We have calculated energy levels and oscillator strengths for dipole-allowed transitions between the terms belonging to the 3s(sup 2)3p(sup 2), 3s3p(sup 3), 3S(sup 2)3p3d, 3S(sup 2)3p4s, 3S(sup 2)3p4p and 3s(sup 2)3p4d configurations of S iii in the LS-coupling scheme. We used flexible radial functions and included a large number of configurations in the configuration-interaction expansions to ensure convergence. The calculated energy levels are in close agreement with the recent laboratory measurement. The present oscillator strengths are compared with other calculations and experiments and most of the existing discrepancies between the available calculations are resolved.

Energy levels, oscillator strengths, and transition probabilities for sulfur-like scandium, Sc VI

NASA Astrophysics Data System (ADS)

El-Maaref, A. A.; Abou Halaka, M. M.; Saddeek, Yasser B.

2017-09-01

Energy levels, Oscillator strengths, and transition probabilities for sulfur-like scandium are calculated using CIV3 code. The calculations have been executed in an intermediate coupling scheme using Breit-Pauli Hamiltonian. The present calculations have been compared with the experimental data and other theoretical calculations. LANL code has been used to confirm the accuracy of the present calculations, where the calculations using CIV3 code agree well with the corresponding values by LANL code. The calculated energy levels and oscillator strengths are in reasonable agreement with the published experimental data and theoretical values. We have calculated lifetimes of some excited levels, as well.

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.

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.

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.

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.

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.

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.

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

Theoretical transition probabilities, oscillator strengths, and radiative lifetimes of levels in Pb IV

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

Alonso-Medina, A.; Colon, C., E-mail: cristobal.colon@upm.e; Porcher, P.

2011-01-15

Transition probabilities and oscillator strengths of 176 spectral lines with astrophysical interest arising from 5d{sup 10}ns (n = 7,8), 5d{sup 10}np (n = 6,7), 5d{sup 10}nd (n = 6,7), 5d{sup 10}5f, 5d{sup 10}5g, 5d{sup 10}nh (n = 6,7,8), 5d{sup 9}6s{sup 2}, and 5d{sup 9}6s6p configurations, and radiative lifetimes for 43 levels of Pb IV, have been calculated. These values were obtained in intermediate coupling (IC) and using relativistic Hartree-Fock calculations including core-polarization effects. For the IC calculations, we use the standard method of least-square fitting from experimental energy levels by means of the Cowan computer code. The inclusion in thesemore » calculations of the 5d{sup 10}7p and 5d{sup 10}5f configurations has facilitated a complete assignment of the energy levels in the Pb IV. Transition probabilities, oscillator strengths, and radiative lifetimes obtained are generally in good agreement with the experimental data.« less

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.

Effective collision strengths for fine-structure forbidden transitions among the 3s^23p^3 levels of AR IV

NASA Astrophysics Data System (ADS)

Ramsbottom, C. A.; Bell, K. L.; Keenan, F. P.

1997-01-01

The multichannel R-matrix method is used to compute electron impact excitation collision strengths in Ar iv for all fine-structure transitions among the ^4S^o, ^2D^o and ^2P^o levels in the 3s^23p^3 ground configuration. Included in the expansion of the total wavefunction are the lowest 13 LS target eigenstates of Ar iv formed from the 3s^23p^3, 3s3p^4 and 3s^23p^23d configurations. The effective collision strengths, obtained by averaging the electron collision strengths over a Maxwellian distribution of electron velocities, are presented for all 10 fine-structure transitions over a wide range of electron temperatures of astrophysical interest (T_e=2000-100 000K). Comparisons are made with an earlier 7-state close-coupling calculation by Zeippen, Butler & Le Bourlot, and significant differences are found to occur for many of the forbidden transitions considered, in particular those involving the ^4S^o ground state, where discrepancies of up to a factor of 3 are found in the low-temperature region.

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…

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.

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.

On the nature of the phase transition in uranium dioxide

NASA Astrophysics Data System (ADS)

Gofryk, K.; Mast, D.; Antonio, D.; Shrestha, K.; Andersson, D.; Stanek, C.; Jaime, M.

Uranium dioxide (UO2) is by far the most studied actinide material as it is a primary fuel used in light water nuclear reactors. Its thermal and magnetic properties remain, however, a puzzle resulting from strong couplings between magnetism and lattice vibrations. UO2 crystalizes in the face-centered-cubic fluorite structure and is a Mott-Hubbard insulator with well-localized uranium 5 f-electrons. In addition, below 30 K, a long range antiferromagnetic ordering of the electric-quadrupole of the uranium moments is observed, forming complex non-collinear 3-k magnetic structure. This transition is accompanied by Jahn-Teller distortion of oxygen atoms. It is believed that the first order nature of the transition results from the competition between the exchange interaction and the Jahn-Teller distortion. Here we present results of our extensive thermodynamic investigations on well-characterized and oriented single crystals of UO2+x (x = 0, 0.033, 0.04, and 0.11). By focusing on the transition region under applied magnetic field we are able to study the interplay between different competing interactions (structural, magnetic, and electrical), its dynamics, and relationship to the oxygen content. We will discuss implications of these results. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division.

Laboratory astrophysics under the ultraviolet, visible, and gravitational astrophysics research program: Oscillator strengths for ultraviolet atomic transitions

NASA Technical Reports Server (NTRS)

Federman, Steven R.

1992-01-01

The conditions within astrophysical environments can be derived from observational data on atomic and molecular lines. For instance, the density and temperature of the gas are obtained from relative populations among energy levels. Information on populations comes about only when the correspondence between line strength and abundance is well determined. The conversion from line strength to abundance involves knowledge of meanlives and oscillator strengths. For many ultraviolet atomic transitions, unfortunately, the necessary data are either relatively imprecise or not available. Because of the need for more and better atomic oscillator strengths, our program was initiated. Through beam-foil spectroscopy, meanlives of ultraviolet atomic transitions are studied. In this technique, a nearly isotopically pure ion beam of the desired element is accelerated. The beam passes through a thin carbon foil (2 mg/cu cm), where neutralization, ionization, and excitation take place. The dominant process depends on the energy of the beam. Upon exiting the foil, the decay of excited states is monitored via single-photon-counting techniques. The resulting decay curve yields a meanlife. The oscillator strength is easily obtained from the meanlife when no other decay channels are presented. When other channels are present, additional measurements or theoretical calculations are performed in order to extract an oscillator strength. During the past year, three atomic systems have been studied experimentally and/or theoretically; they are Ar, I, Cl I, and N II. The results for the first two are important for studies of interstellar space, while the work on N II bears on processes occurring in planetary atmospheres.

A liquid-liquid transition can exist in monatomic transition metals with a positive melting slope

PubMed Central

Lee, Byeongchan; Lee, Geun Woo

2016-01-01

Liquid-liquid transitions under high pressure are found in many elemental materials, but the transitions are known to be associated with either sp-valent materials or f-valent rare-earth elements, in which the maximum or a negative slope in the melting line is readily suggestive of the transition. Here we find a liquid-liquid transition with a positive melting slope in transition metal Ti from structural, electronic, and thermodynamic studies using ab-initio molecular dynamics calculations, showing diffusion anomaly, but no density anomaly. The origin of the transition in liquid Ti is a pressure-induced increase of local structures containing very short bonds with directionality in electronic configurations. This behavior appears to be characteristic of the early transition metals. In contrast, the late transition metal liquid Ni does not show the L-L transition with pressure. This result suggests that the possibility of the L-L transition decreases from early to late transition metals as electronic structures of late transition metals barely have a Jahn-Teller effect and bond directionality. Our results generalize that a phase transition in disordered materials is found with any valence band regardless of the sign of the melting slope, but related to the symmetry of electronic structures of constituent elements. PMID:27762334

Enhancement of yield strength in zirconium metal through high-pressure induced structural phase transition

NASA Astrophysics Data System (ADS)

Zhao, Yusheng; Zhang, Jianzhong

2007-11-01

We report here a high-pressure phase-transition induced strengthening in ultrapure zirconium metal. The determined yield strength shows more than sixfold abrupt increase at the transition pressure of Pc=6GPa, from σyα≈180MPa in the low-pressure phase of α-Zr to σyω≈1180MPa in the high-pressure phase of ω-Zr. The observed enhancement provides an alternate route for material strengthening and is the most significant among the known strengthening techniques for metals. Our findings support the theoretical simulations of the substantial covalent bonding and "rougher" corrugation of slip planes for dislocations in the ω-phase of zirconium.

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.

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.

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

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.

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).

Transition from orbital liquid to Jahn-Teller insulator in orthorhombic perovskites RTiO3.

PubMed

Cheng, J-G; Sui, Y; Zhou, J-S; Goodenough, J B; Su, W H

2008-08-22

Following the same strategy used for RVO3, thermal conductivity measurements have been made on a series of single-crystal perovskites RTiO3 (R=La,Nd,...,Yb). Results reveal explicitly a transition from an orbital liquid to an orbitally ordered phase at a magnetic transition temperature, which is common for both the antiferromagnetic and ferromagnetic phases in the phase diagram of RTiO3. This spin/orbital transition is consistent with the mode softening at T_{N} in antiferromagnetic LaTiO3 and is supported by an anomalous critical behavior at T_{c} in ferromagnetic YTiO3.

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N I

NASA Astrophysics Data System (ADS)

Tayal, S. S.

2006-03-01

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N I lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strengths over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s22p3 4So, 2Do, 2Po, 2s2p4 4P, 2s22p23s 4P, and 2P terms and from these levels to the levels of the 2s22p23p 2So, 4Do, 4Po, 4So, 2Do, 2Po, 2s22p23s 2D, 2s22p24s 4P, 2P, 2s22p23d 2P, 4F, 2F, 4P, 4D, and 2D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.

Relativistic many-body calculations of excitation energies, oscillator strengths, transition rates, and lifetimes in samarium like ions

NASA Astrophysics Data System (ADS)

Safronova, Ulyana; Safronova, Alla; Beiersdorfer, Peter

2013-05-01

Excitation energies, oscillator strengths, transition probabilities, and lifetimes are calculated for (5s2 + 5p2 + 5d2 + 5 s 5 d + 5 s 5 g + 5 p 5 f) - (5 s 5 p + 5 s 5 f + 5 p 5 d + 5 p 5 g) electric dipole transitions in Sm-like ions with nuclear charge Z ranging from 74 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 4f14 Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate coupling coefficients, and the second-order RMBPT is used to determine the matrix elements. The contributions from negative-energy states are included in the second-order E1 matrix elements to achieve agreement between length-form and velocity-form amplitudes. The resulting transition energies and transition probabilities, and lifetimes for Sm-like W12+ are compared with results obtained by the relativistic Hartree-Fock approximation (COWAN code) to estimate contribution of the 4 f -core-excited states. Trends of excitation energies and oscillator strengths as function of nuclear charge Z are shown graphically for selected states and transitions. This work provides a number of yet unmeasured properti. This research was sponsored by the grant DE-FG02-08ER54951.

Effect of transition metal impurities on the strength of grain boundaries in vanadium

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

Wu, Xuebang; Kong, Xiang-Shan; You, Yu-Wei

2016-09-07

Effects of 3d (Ti-Ni), 4d (Zr-Pd), and 5d (Hf-Pt) transition metal impurities on strength of two representative vanadium grain boundaries (GBs), symmetric Σ3(111) and asymmetric Σ5(210), were studied by first-principles calculations within the framework of the Rice-Wang thermodynamic model and within the computational tensile test. The desirable elements to increase the GB cohesion were predicted based on their segregation and strengthening behaviors across the different GB sites. It reveals that the elements Ti, Zr, Hf, Nb, and Ta are good choices for the GB cohesion enhancers. In addition, the GB strengthening by solutes is sensitive to the GB structures. Themore » elements Cr, Mn, Fe, Co, and Ni decrease the GB strength of the Σ3(111) GB but they can increase the cohesion of the Σ5(210) GB. Furthermore, the origin of Ti-induced change of the GB strength was uncovered by analyzing the atomic bonds and electronic structures as well as the tensile strength. This work provides a theoretical guidance to screen promising alloying elements in V-based materials with improved resistance to GB decohesion and also helps us to understand the formation mechanism of Ti-rich precipitates in the V-Cr-Ti alloys under neutron or ion irradiation environments.« less

Oscillator strengths of selected resonance transitions in neutral sulfur

NASA Technical Reports Server (NTRS)

Beideck, D. J.; Schectman, R. M.; Federman, S. R.; Ellis, D. G.

1994-01-01

Mean lives and branching ratios for the 4s (3)S(sup 0 sub 1) and 4s(double prime) (3)P(sup 0 sub 1, 2) levels of neutral sulfur were determined at the Toledo Heavy Ion Accelerator using beam-foil spectroscopic techniques. The mean lives obtained for the 4s (3)S(sup 0 sub 1) 4s(double prime) (3)P(sup 0 sub 1), and (3)P(sup 0 sub 2) levels, 1.875 +/- 0.094 ns, 2.034 +/- 0.102 ns, and 2.146 +/- 0.129 ns, respectively, represent the most accurate results available to date. Oscillator strengths for the transitions 3p(sup 4)(3)P(sub 2, 1, 0)-4s (3)S(sup 0 sub 1) and 3p(sup 4)(3)P(sub 2, 1, 0)-4s(double prime) (3)P(sup 0 sub 1, 2) were derived from these mean lives together with the measured branching ratios. For comparison with published results which present only multiplet f-values, such f-values were computed from the measured individual line oscillator strengths. The value obtained for the 3p(sup 4)(3)P-4s(sup 3)S(sup 0) multiplet at 1814 A is 0.088 +/- 0.005, in good agreement with the mean of previous experimental measurements and theoretical calculations. With the mean life for the 4s(double prime) 3P(sup 0 sub 0) level set equal to the mean of our determination for the other two 4s(double prime) (3)P(sup 0) levels (a valid assumption for LS coupling conditions, and consistent with the observed equality of the mean lives within the accuracy of our measurement), an oscillator strength for the 1299 A multiplet of 0.121 +/- 0.004 was found. Both results are in good agreement with recent large-scale theoretical calculations that incorporate the effects of configuration interaction.

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.

Energy levels, oscillator strengths, line strengths, and transition probabilities in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI

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

Chen, Zhan-Bin, E-mail: chenzb008@qq.com; Ma, Kun; Wang, Hong-Jian

2017-01-15

Detailed calculations using the multi-configuration Dirac–Fock (MCDF) method are carried out for the lowest 64 fine-structure levels of the 3s{sup 2}3p{sup 2}, 3s{sup 2}3p3d, 3s3p{sup 3}, 3s3p{sup 2}3d, 3s{sup 2}3d{sup 2}, and 3p{sup 4} configurations in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI. Energies, oscillator strengths, wavelengths, line strengths, and radiative electric dipole transition rates are given for all ions. A parallel calculation using the many-body perturbation theory (MBPT) method is also carried out to assess the present energy levels accuracy. Comparisons are performed between these two sets of energy levels, as well as withmore » other available results, showing that they are in good agreement with each other within 0.5%. These high accuracy results can be used to the modeling and the interpretation of astrophysical objects and fusion plasmas. - Highlights: • Energy levels and E1 transition rates of Si-like ions are presented. • Breit interaction and Quantum Electrodynamics effects are discussed. • Present results should be useful in the astrophysical application and plasma modeling.« less

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.

Effective collision strengths for forbidden transitions among the 3s23p3 fine-structure levels of CL IIIIII

NASA Astrophysics Data System (ADS)

Ramsbottom, C. A.; Bell, K. L.; Keenan, F. P.

1999-08-01

Effective collision strengths for the 10 astrophysically important fine-structure forbidden transitions among the ^4S^o, ^2D^o and ^2P^o levels in the 3s^23p^3 configuration of Cliii are presented. The calculation employs the multichannel R-matrix method to compute the electron-impact excitation collision strengths in a close-coupling expansion, which incorporates the lowest 23 LS target eigenstates of Cliii. These states are formed from the 3s^23p^3, 3s3p^4, 3s^23p^23d and 3s^23p^24s configurations. The Maxwellian-averaged effective collision strengths are presented graphically for all 10 fine-structure transitions over a wide range of electron temperatures appropriate for astrophysical applications [logT(K)=3.3-logT(K)=5.9]. Comparisons are made with the earlier seven-state close-coupling calculation of Butler & Zeippen, and in general excellent agreement is found in the low-temperature region where a comparison is possible [logT(K)=3.3-logT(K)=4.7]. However, discrepancies of up to 30 per cent are found to occur for the forbidden transitions which involve the ^4S^o ground state level, particularly for the lowest temperatures considered. At the higher temperatures, the present data are the only reliable results currently available.

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.

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.

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.

Phase transition and strength of vanadium under shock compression up to 88 GPa

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

Yu, Yuying, E-mail: yuyinyu@caep.cn; Tan, Ye; Dai, Chengda

A series of reverse-impact experiments were performed on vanadium at shock pressure ranging from 32 GPa to 88 GPa. Particle velocity profiles measured at sample/LiF window interface were used to estimate the sound velocities, shear modulus, and yield stress in shocked vanadium. A phase transition at ∼60.5 GPa that may be the body-centered cubic (BCC) to rhombohedral structure was identified by the discontinuity of the sound velocity against shock pressure. This transition pressure is consistent with the results from diamond anvil cell (DAC) experiments and first-principle calculations. However, present results show that the rhombohedral phase has higher strength and shear modulus than themore » BCC phase, which is contrast to the findings from DAC experiments and theoretical work.« less

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…

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…

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.

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.

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N1

NASA Technical Reports Server (NTRS)

Tayal, S. S.

2006-01-01

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N(I) lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strength over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s(sup 2)p(sup 3) (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0), 2s2p(sup 4) (sup 4)P, 2s(sup 2)2p(sup 2)3s (sup 4)P, and (sup 2)P terms and from these levels to the levels of the 2s(sup 2)2p(sup 2)3p (sup 2)S(sup 0), (sup 4)D(sup 0), (sup 4)P(sup 0), (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0),2s(sup 2)2p(sup 2)3s(sup 2)D, 2s(sup 2)2p(sup 2)4s(sup 4)P, (sup 2)P, 2s(sup 2)2p(sup 2)3d(sup 2)P, (sup 4)F,(sup 2)F,(sup 4)P, (sup 4)D, and (sup 2)D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.

Influence of droplet size, pH and ionic strength on endotoxin-triggered ordering transitions in liquid crystalline droplets

PubMed Central

Miller, Daniel S.; Abbott, Nicholas L.

2012-01-01

We report an investigation of ordering transitions that are induced in water-dispersed, micrometer-sized droplets of a thermotropic liquid crystal (LC) by the bacterial lipopolysaccharide endotoxin. We reveal that the ordering transitions induced by endotoxin – from a bipolar state of the droplets to a radial state – are strongly dependent on the size of the LC droplets. Specifically, as the diameters of the LC droplets increase from 2 μm to above 10 μm (in phosphate buffered saline with an ionic strength of 90 mM and a pH of 7.2), we measured the percentage of droplets exhibiting a radial configuration in the presence of 100 pg/mL endotoxin to decrease from 98 ± 1 % to 3 ± 2 %. In addition, we measured a decrease in either the ionic strength or pH of the aqueous phase to reduce the percentage of droplets exhibiting a radial configuration in the presence of endotoxin. These results, when interpreted within the context of a simple thermodynamic model that incorporates the contributions of elasticity and surface anchoring to the free energies of the LC droplets, lead us to conclude that (i) the elastic constant K24 plays a central role in determining the size-dependent response of the LC droplets to endotoxin, and (ii) endotoxin-triggered ordering transitions occur only under solution conditions (pH, ionic strength) where the combined contributions of elasticity and surface anchoring to the free energies of the bipolar and radial configurations of the LC droplets are similar in magnitude. Our analysis also suggests that the presence of endotoxin perturbs the free energies of the LC droplets by ~10−17 J/droplet, which is comparable to the standard free energy of self-association of ~103 endotoxin molecules. These results, when combined with prior reports of localization of endotoxin at the center of LC droplets, are consistent with the hypothesis that self-assembly of endotoxin within micrometer-sized LC droplets provides the driving force for the ordering

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.

Electron impact collision strengths in Ne VII

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

Di, L.; Shi, J.R.; Zhao, G., E-mail: gzhao@bao.ac.cn

2012-07-15

The lines of Ne VII have been observed in many astronomical objects, and some transitions from high energy levels were observed both in Seyfert galaxies and stellar coronae. Thus, the atomic data for these transitions are important for modeling. Using the code FAC we calculated the collision strengths based on the distorted-wave method with large configuration interactions included. The Maxwellian averaged effective collision strengths covering the typical temperature range of astronomical and laboratory hot plasmas are presented. We extend the calculation of the energy levels to n=4 and 5. The energy levels, wavelengths, spontaneous transition rates, weighted oscillator strengths, andmore » effective collision strengths were reported. Compared with the results from experiment or previous theoretical calculations a general agreement is found. It is found that the resonance effects are important in calculating the effective collision strengths.« less

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.

Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength across Molecular Absorption Spectra.

PubMed

Zheng, Lianjun; Polizzi, Nicholas F; Dave, Adarsh R; Migliore, Agostino; Beratan, David N

2016-03-24

The effectiveness of solar energy capture and conversion materials derives from their ability to absorb light and to transform the excitation energy into energy stored in free carriers or chemical bonds. The Thomas-Reiche-Kuhn (TRK) sum rule mandates that the integrated (electronic) oscillator strength of an absorber equals the total number of electrons in the structure. Typical molecular chromophores place only about 1% of their oscillator strength in the UV-vis window, so individual chromophores operate at about 1% of their theoretical limit. We explore the distribution of oscillator strength as a function of excitation energy to understand this circumstance. To this aim, we use familiar independent-electron model Hamiltonians as well as first-principles electronic structure methods. While model Hamiltonians capture the qualitative electronic spectra associated with π electron chromophores, these Hamiltonians mistakenly focus the oscillator strength in the fewest low-energy transitions. Advanced electronic structure methods, in contrast, spread the oscillator strength over a very wide excitation energy range, including transitions to Rydberg and continuum states, consistent with experiment. Our analysis rationalizes the low oscillator strength in the UV-vis spectral region in molecules, a step toward the goal of oscillator strength manipulation and focusing.

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.

Oscillator strengths and collision strengths for S v

NASA Technical Reports Server (NTRS)

Van Wyngaarden, W. L.; Henry, R. J. W.

1981-01-01

Observations of the optical extreme-ultraviolet spectrum of the Jupiter planetary system during the Voyager space mission revealed bright emission lines of some sulfur ions. The spectra of the torus at the orbit of Io are likely to contain S V lines. The described investigation provides oscillator strengths and collision strengths for the first four UV lines. The collision strengths from the ground state to four other excited states are also obtained. Use is made of a two-state calculation which is checked for convergence for some transitions by employing a three-state or a four-state approximation. Target wave functions for S V are calculated so that the oscillator strengths calculated in dipole length and dipole velocity approximations agree within 5%.

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.

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.

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.

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.

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.

Monopole transition strength function of 12C in a three-α model

NASA Astrophysics Data System (ADS)

Ishikawa, Souichi

2016-12-01

The energy-level structure of the 12C nucleus at a few MeV above the three-α (3 α ) threshold is still unsatisfactorily known. For instance, most microscopic calculations predicted that there exist one 0+ state in this energy region besides the well-known Hoyle state, whereas some experimental and theoretical studies show the existence of two 0+ states. In this paper, I will take a 3 α -boson model for bound and continuum states in 12C and study a transition process from the 12C(01+) ground state to 3 α 0+ continuum states by the electric monopole (E 0 ) operator. The strength distribution of the process will be calculated as a function of 3 α energy using the Faddeev three-body theory. The Hamiltonian for the 3 α system consists of two- and three-α potentials, and some three-α potentials with different range parameters will be examined. Results of the strength function show a double-peaked bump at the low-energy region, which can be considered as two 0+ states. The peak at higher energy may originate from a 3 α resonant state. However, it is unlikely that the peak at the lower energy is related to a resonant state, which suggests that it may be due to a so-called "ghost anomaly." Distributions of decaying particles are also calculated.

Impact of hole doping on spin transition in perovskite-type cobalt oxides.

PubMed

Che, Xiangli; Li, Liping; Hu, Wanbiao; Li, Guangshe

2016-06-28

Series of perovskite PrCo1-xNixO3-δ (x = 0-0.4) were prepared and carefully investigated to understand the spin state transition driven by hole doping and further to reveal the effect of spin state transition on electronic conduction. It is shown that with increasing doping level, the transition temperature Ts for Co(3+) ions from low-spin (LS) to intermediate-spin (IS) reduces from 211.9 K for x = 0 to 190.5 K for x = 0.4. XPS and FT-IR spectra demonstrate that hole doping promoted this transition due to a larger Jahn-Teller distortion. Moreover, a thermal activation of spin disorder caused by thermal population of the spin states for Co ions has a great impact on the electrical transport of these perovskite samples. This work may shed light on the comprehension of spin transition in cobalt oxides through hole doping, which is promising for finding new strategies of enhancing electronic conduction, especially for energy and catalysis applications.

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.

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.

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.

MgH Rydberg series: Transition energies from electron propagator theory and oscillator strengths from the molecular quantum defect orbital method

NASA Astrophysics Data System (ADS)

Corzo, H. H.; Velasco, A. M.; Lavín, C.; Ortiz, J. V.

2018-02-01

Vertical excitation energies belonging to several Rydberg series of MgH have been inferred from 3+ electron-propagator calculations of the electron affinities of MgH+ and are in close agreement with experiment. Many electronically excited states with n > 3 are reported for the first time and new insight is given on the assignment of several Rydberg series. Valence and Rydberg excited states of MgH are distinguished respectively by high and low pole strengths corresponding to Dyson orbitals of electron attachment to the cation. By applying the Molecular Quantum Defect Orbital method, oscillator strengths for electronic transitions involving Rydberg states also have been determined.

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.

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.

Application of the Zero-Order Reaction Rate Model and Transition State Theory to predict porous Ti6Al4V bending strength.

PubMed

Reig, L; Amigó, V; Busquets, D; Calero, J A; Ortiz, J L

2012-08-01

Porous Ti6Al4V samples were produced by microsphere sintering. The Zero-Order Reaction Rate Model and Transition State Theory were used to model the sintering process and to estimate the bending strength of the porous samples developed. The evolution of the surface area during the sintering process was used to obtain sintering parameters (sintering constant, activation energy, frequency factor, constant of activation and Gibbs energy of activation). These were then correlated with the bending strength in order to obtain a simple model with which to estimate the evolution of the bending strength of the samples when the sintering temperature and time are modified: σY=P+B·[lnT·t-ΔGa/R·T]. Although the sintering parameters were obtained only for the microsphere sizes analysed here, the strength of intermediate sizes could easily be estimated following this model. Copyright © 2012 Elsevier B.V. All rights reserved.

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

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

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.

Atomic data from the IRON Project. XXXII. On the accuracy of the effective collision strength for the electron impact excitation of the quadrupole transition in AR III

NASA Astrophysics Data System (ADS)

Galavís, M. E.; Mendoza, C.; Zeippen, C. J.

1998-12-01

Since te[Burgess et al. (1997)]{bur97} have recently questioned the accuracy of the effective collision strength calculated in the IRON Project for the electron impact excitation of the 3ssp23p sp4 \\ sp1 D -sp1 S quadrupole transition in Ar iii, an extended R-matrix calculation has been performed for this transition. The original 24-state target model was maintained, but the energy regime was increased to 100 Ryd. It is shown that in order to ensure convergence of the partial wave expansion at such energies, it is necessary to take into account partial collision strengths up to L=30 and to ``top-up'' with a geometric series procedure. By comparing effective collision strengths, it is found that the differences from the original calculation are not greater than 25% around the upper end of the common temperature range and that they are much smaller than 20% over most of it. This is consistent with the accuracy rating (20%) previously assigned to transitions in this low ionisation system. Also the present high-temperature limit agrees fairly well (15%) with the Coulomb-Born limit estimated by Burgess et al., thus confirming our previous accuracy rating. It appears that Burgess et al., in their data assessment, have overextended the low-energy behaviour of our reduced effective collision strength to obtain an extrapolated high-temperature limit that appeared to be in error by a factor of 2.

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.

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.

Bond-length fluctuations and the spin-state transition in LCoO3 (L=La, Pr, and Nd)

NASA Astrophysics Data System (ADS)

Yan, J.-Q.; Zhou, J.-S.; Goodenough, J. B.

2004-04-01

The temperature dependence of thermal conductivity, κ(T), and magnetic susceptibility, χ(T), have been measured on single crystals of LCoO3 (L=La, Pr, Nd) grown by the floating-zone method. The susceptibility measurement shows a progressive stabilization of the low-spin (LS) state of Co(III) with decreasing size of the L3+ ion, and the population of excited intermediate-spin (IS) or high-spin (HS) state Co(III) ions begins to increase at 200 K and 300 K for PrCoO3 and NdCoO3 compared with 35 K in LaCoO3. The low-temperature Curie-Weiss paramagnetic susceptibility of LCoO3 is an intrinsic property arising from surface cobalt and, possibly, a LS ground state bearing some IS character caused by the virtual excitation to the IS state. The transition from a LS to a IS/HS state introduces bond-length fluctuations that suppress the phonon contribution to κ(T) below 300 K. The suppressed κ(T) could be further reduced by dynamic Jahn-Teller distortions associated with the IS/HS species. A smooth transition in ρ(T) and α(T) and a nearly temperature independent α(T)≈20 μV/K above 600 K do not support a thermally induced, homogeneous Mott-Hubbard transition model for the high-temperature transition of LaCoO3 from an insulating to a conductive state. A two-phase process is proposed for the interval 300 KTeller distortions that may be dynamic.

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

Lifetimes and Oscillator Strengths for Ultraviolet Transitions in P II, Cl II and Cl III

NASA Technical Reports Server (NTRS)

Cheng, S.; Federman, S. R.; Schectman, R. M.; Brown, M.; Irving, R. E.; Fritts, M. C.; Gibson, N. D.

2006-01-01

Oscillator strengths for transitions in P II, Cl II and Cl III are derived from lifetimes and branching factions measured with beam-foil techniques. The focus is on the multiplets with a prominent interstellar line at 1153 A in P II which is seen in spectra of hot stars, and the lines at 1071 A in Cl II and 1011 A in Cl III whose lines are seen in spectra of diffuse interstellar clouds and the Io torus acquired with the Far Ultraviolet Spectroscopic Explorer. These data represent the first complete set of experimental f-values for the lines in the multiplets. Our results for P II (lambda)1153 agree well with Curtis semi-empirical predictions, as well as the large scale computations by Hibbert and by Tayal. The data for Cl II (lambda)1071 also agree very well with the most recent theoretical effort and with Morton s newest recommendations. For Cl III, however, our f-values are significantly larger than those given by Morton; instead, they are more consistent with recent large-scale theoretical calculations. Extensive tests provide confirmation that LS coupling rules apply to the transitions for the multiplets in Cl II and Cl III.

Supporting Early Adolescent Learning and Social Strengths: Promoting Productive Contexts for Students At-Risk for EBD during the Transition to Middle School

ERIC Educational Resources Information Center

Farmer, Thomas W.; Hamm, Jill V.; Petrin, Robert A.; Robertson, Dylan; Murray, Robert A.; Meece, Judith L.; Brooks, Debbie Sprott

2010-01-01

This study involved a pilot examination of the impact of the Supporting Early Adolescent Learning and Social Strengths (SEALS) model on the 6th grade academic and social context following the transition to middle school. Two middle schools from a high poverty Appalachian school district were randomly assigned to the intervention and control…

Transition-metal alloying of γ'-Ni3Al : Effects on the ideal uniaxial compressive strength from first-principles calculations

NASA Astrophysics Data System (ADS)

Wen, Minru; Wang, Chong-Yu

2018-01-01

The addition of transition-metal (TM) elements into the γ' precipitate phase of a Ni-based single-crystal superalloy can significantly affect its mechanical properties, including the intrinsic mechanical property of compressive strength. Using first-principles density functional calculations, the effects of 3 d (Sc-Zn), 4 d (Y-Cd), and 5 d (Hf-Au) TM alloying elements on the ideal uniaxial compressive strength of γ'-Ni3Al were investigated. The stress-strain relationships of pure Ni3Al under [100], [110], and [111] compressive loads and the site occupancy behavior of TM elements in Ni3Al were previously studied using a total-energy method based on density functional theory. Our results showed that the capacity of TM elements for strengthening the ideal compressive strength was associated with the d -electron number. The alloying elements with half-filled d bands (i.e., Cr, Mo, W, Tc, and Re) manifested the greatest efficacy for improving the ideal strength of Ni3Al under a deformation along the weakest compressive direction. Furthermore, the charge redistribution of Ni3Al doped with 5 d elements were also analyzed to understand the strengthening mechanisms of TM elements in the γ'-Ni3Al phase.

Causal strength induction from time series data.

PubMed

Soo, Kevin W; Rottman, Benjamin M

2018-04-01

One challenge when inferring the strength of cause-effect relations from time series data is that the cause and/or effect can exhibit temporal trends. If temporal trends are not accounted for, a learner could infer that a causal relation exists when it does not, or even infer that there is a positive causal relation when the relation is negative, or vice versa. We propose that learners use a simple heuristic to control for temporal trends-that they focus not on the states of the cause and effect at a given instant, but on how the cause and effect change from one observation to the next, which we call transitions. Six experiments were conducted to understand how people infer causal strength from time series data. We found that participants indeed use transitions in addition to states, which helps them to reach more accurate causal judgments (Experiments 1A and 1B). Participants use transitions more when the stimuli are presented in a naturalistic visual format than a numerical format (Experiment 2), and the effect of transitions is not driven by primacy or recency effects (Experiment 3). Finally, we found that participants primarily use the direction in which variables change rather than the magnitude of the change for estimating causal strength (Experiments 4 and 5). Collectively, these studies provide evidence that people often use a simple yet effective heuristic for inferring causal strength from time series data. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

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.

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.

Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba 2 M(VO 4 ) 2 (OH), M = V 3+ , Mn 3+ , and Fe 3+ , with Interesting Jahn–Teller and Spin-Liquid Behavior

DOE PAGES

Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; ...

2015-07-08

In a new series of transition metal vanadates, namely, Ba 2M(VO 4) 2(OH) (M = V 3+, Mn 3+, and Fe 3+), was synthesized as large single crystals hydrothermally in 5 M NaOH solution at 580 °C and 1 kbar. This new series of compounds is structurally reminiscent of the brackebuschite mineral type. The structure of Ba 2V(VO 4) 2(OH) is monoclinic in space group P2 1/m, a = 7.8783(2) Å, b = 6.1369(1) Å, c = 9.1836(2) Å, β = 113.07(3)°, V = 408.51(2) Å 3. Moreover, the other structures are similar and consist of one-dimensional trans edge-shared distortedmore » octahedral chains running along the b-axis. The vanadate groups bridge across edges of their tetrahedra. Structural analysis of the Ba 2Mn(VO 4) 2(OH) analogue yielded a new understanding of the Jahn–Teller effect in this structure type. Raman and infrared spectra were investigated to observe the fundamental vanadate and hydroxide vibrational modes. Finally, single-crystal temperature-dependent magnetic studies on Ba 2V(VO 4) 2(OH) reveal a broad feature over a wide temperature range with maximum at ~100 K indicating that an energy gap could exist between the antiferromagnetic singlet ground state and excited triplet states, making it potentially of interest for quantum magnetism studies.« less

Effective collision strengths for the electron impact excitation of Mg

NASA Astrophysics Data System (ADS)

Hudson, C. E.; Ramsbottom, C. A.; Norrington, P. H.; Scott, M. P.

2008-05-01

Electron impact excitation collision strengths for fine structure transitions of Mg,have been determined by a Breit-Pauli R-matrix calculation. The target states are represented by configuration interaction wavefunctions and consist of the 19 lowest LS states, having configurations 2s^22p^4, 2s2p^5, 2p^6, 2s^22p^33s and 2s^22p^33p. These target states give rise to 37 fine structure levels and 666 possible transitions. The effective collision strengths are calculated by averaging the electron collision strengths over a Maxwellian distribution of electron velocities. Effective collision strengths for transitions between the fine structure levels are given for electron temperatures in the range 10Te(K) = 3.0 - 7.0. Results are compared with the previous R-matrix calculation of Butler & Zeippen (AASS, 1994) and the recent Distorted Wave evaluations of Bhatia, Landi & Eissner (ADNDT, 2006).

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

Strength and Deformation of Solid Krypton and Xenon to Mbar Pressures

NASA Astrophysics Data System (ADS)

Brugman, B. L.; Lv, M.; Liu, J.; Park, C.; Popov, D.; Prakapenka, V. B.; Dorfman, S.

2017-12-01

Studying phase equilibria and deformation of rare gas solids (RGS) under pressure provides insight into their behavior in planetary bodies. Their simple bonding properties make them useful analogs for materials with similar structures and other van der Waals bonded materials. He, Ne, and Ar are useful as pressure-transmitting media in diamond anvil cell (DAC) experiments due to their low strength and inert chemistry, and Xe has been proposed as a pressure medium as well, but relatively little is known about the strength of Kr and Xe. The strength of heavy RGS may be affected by a martensitic transition from fcc to hcp structure, which is observed at lower pressures with higher Z. The pressure ranges of this transition in Kr and Xe in previous experimental and computational studies vary from 5 to 29 GPa for Xe and as high as 130 GPa for Kr. The transition may be further complicated by kinetics and multiple transition mechanisms. Modeling of phase equilibria and evaluation of Kr and Xe as pressure media may be improved by examination of elastic and plastic properties at extreme pressure. We studied phase transitions and deformation of Kr and Xe using synchrotron x-ray diffraction at Advanced Photon Source beamlines 13-ID-D and 16-BM-D in the DAC at pressures up to 118 GPa. The martensitic fcc-hcp phase transition begins as peak asymmetry and weak peaks in both Kr and Xe at pressures as low as 5 GPa. Intensity of hcp peaks in Xe increases continuously to 118 GPa. Weak hcp peaks were evident in Kr alongside fcc peaks from 5 to 94 GPa, contrary to theoretical predictions that the hcp transition does not begin below 110-130 GPa. Strength and plasticity of Kr and Xe were obtained by complementary lattice strain and peak width analysis of diffraction patterns in both axial and radial geometries as well as observation of pressure gradients by ruby fluorescence. Xe is approximately hydrostatic with strength comparable to common pressure media at pressures up to 10-12 GPa

Crystal Field Splitting is Limiting the Stability and Strength of Ultra-incompressible Orthorhombic Transition Metal Tetraborides

PubMed Central

Zhang, R. F.; Wen, X. D.; Legut, D.; Fu, Z. H.; Veprek, S.; Zurek, E.; Mao, H. K.

2016-01-01

The lattice stability and mechanical strengths of the supposedly superhard transition metal tetraborides (TmB4, Tm = Cr, Mn and Fe) evoked recently much attention from the scientific community due to the potential applications of these materials, as well as because of general scientific interests. In the present study, we show that the surprising stabilization of these compounds from a high symmetry to a low symmetry structure is accomplished by an in-plane rotation of the boron network, which maximizes the in-plane hybridization by crystal field splitting between d orbitals of Tm and p orbitals of B. Studies of mechanical and electronic properties of TmB4 suggest that these tetraborides cannot be intrinsically superhard. The mechanical instability is facilitated by a unique in-plane or out-of-plane weakening of the three-dimensional covalent bond network of boron along different shear deformation paths. These results shed a novel view on the origin of the stability and strength of orthorhombic TmB4, highlighting the importance of combinational analysis of a variety of parameters related to plastic deformation of the crystalline materials when attempting to design new ultra-incompressible, and potentially strong and hard solids. PMID:26976479

Trunk strength and mobility changes in children with slow transit constipation.

PubMed

Chase, Janet W; Stillman, Barry C; Gibb, Susan M; Clarke, Melanie C C; Robertson, Val J; Catto-Smith, Anthony G; Hutson, John M; Southwell, Bridget R

2009-12-01

It appears that there are no published reports on childhood slow transit constipation (STC) that have considered the state of the musculoskeletal components of the trunk in these children. The present study aimed to determine whether children with STC have different trunk musculoskeletal characteristics that might be related to their defecation difficulties, compared to controls. With the aid of computer-analyzed photographs and clinical testing, 41 children with STC and 41 age-matched controls were examined for Marfanoid features, sitting posture, spinal joint mobility and trunk muscle strength. The latter was assessed by measuring maximum voluntary abdominal bulging and retraction in sitting, and active trunk extension in prone-lying. Levels of general exercise and sedentary activities were evaluated by questionnaire. STC subjects were more slumped in relaxed sitting (P < or = 0.001), less able to bulge (P < or = 0.03) and less able to actively extend the trunk (P = 0.02) compared to controls. All subjects sat more erect during abdominal bulging (P < or = 0.03). The results show that STC children have reduced trunk control and posture, which indicates that clinicians should include training of trunk muscles and correction of sitting posture. There was no evidence that children with STC exercised less than the controls.

Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for sulfur-like iron, Fe XI

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

Abou El-Maaref, A., E-mail: aahmh@hotmail.com; Ahmad, Mahmoud; Allam, S.H.

Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s{sup 2}3p{sup 4}, 3s3p{sup 5}, 3s{sup 2}3p{sup 3}3d, 3s{sup 2}3p{sup 3}4s, 3s{sup 2}3p{sup 3}4p, and 3s{sup 2}3p{sup 3}4d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit–Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term,more » and spin–orbit, spin–other-orbit, and spin–spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications. -- Highlights: •Accurate atomic data of iron ions are needed for identification of solar corona. •Extensive configuration interaction wavefunctions including 123 fine-structure levels have been calculated. •The relativistic effects by means of the Breit–Pauli Hamiltonian terms are incorporated. •This incorporation adjusts the energy levels, therefore the calculated values are close to experimental values.« less

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.

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.

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.

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.

Spin-phonon coupling and high-pressure phase transitions of RMnO 3 (R=Ca and Pr): An inelastic neutron scattering and first-principles study

DOE PAGES

Mishra, S. K.; Gupta, M. K.; Mittal, R.; ...

2016-06-22

Here, we report inelastic neutron scattering measurements over 7–1251 K in CaMnO 3 covering various phase transitions, and over 6–150 K in PrMnO 3 covering the magnetic transition. The excitations around 20 meV in CaMnO 3 and at 17 meV in PrMnO 3 at low temperatures are found to be associated with magnetic origin. We observe coherent magnetic neutron scattering in localized regions in reciprocal space and show it to arise from long-range correlated magnetic spin-waves below the magnetic transition temperature (TN) and short-range stochastic spin-spin fluctuations above T N. In spite of the similarity of the structure of themore » two compounds, the neutron inelastic spectrum of PrMnO 3 exhibits broad features at 150 K unlike well-defined peaks in the spectrum of CaMnO 3. This might result from the difference in the nature of interactions in the two compounds (magnetic and Jahn-Teller distortion). Ab initio phonon calculations have been used to interpret the observed phonon spectra. The ab initio calculations at high pressures show that the variations of Mn-O distances are isotropic for CaMnO 3 and highly anisotropic for PrMnO 3. The calculation in PrMnO 3 shows the suppression of Jahn-Teller distortion and simultaneous insulator-to-metal transition. It appears that this transition may not be associated with the occurrence of the tetragonal phase above 20 GPa as reported in the literature, since the tetragonal phase is found to be dynamically unstable, although it is found to be energetically favored over the orthorhombic phase above 20 GPa. CaMnO 3 does not show any phase transition up to 60 GPa.« less

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...

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.

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.

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)..

Coupled channels description of the α-decay fine structure

NASA Astrophysics Data System (ADS)

Delion, D. S.; Ren, Zhongzhou; Dumitrescu, A.; Ni, Dongdong

2018-05-01

We review the coupled channels approach of α transitions to excited states. The α-decaying states are identified as narrow outgoing Gamow resonances in an α-daughter potential. The real part of the eigenvalue corresponds to the Q-value, while the imaginary part determines the half of the total α-decay width. We first review the calculations describing transitions to rotational states treated by the rigid rotator model, in even–even, odd-mass and odd–odd nuclei. It is found that the semiclassical method overestimates the branching ratios to excited 4+ for some even–even α-emitters and fails in explaining the unexpected inversion of branching ratios of some odd-mass nuclei, while the coupled-channels results show good agreement with the experimental data. Then, we review the coupled channels method for α-transitions to 2+ vibrational and transitional states. We present the results of the Coherent State Model that describes in a unified way the spectra of vibrational, transitional and rotational nuclei. We evidence general features of the α-decay fine structure, namely the linear dependence between α-intensities and excitation energy, the linear correlation between the strength of the α-core interaction and spectroscopic factor, and the inverse correlation between the nuclear collectivity, given by electromagnetic transitions, and α-clustering.

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).

Relativistic distorted-wave collision strengths for Δn = 0 transitions in the 67 Li-like, F-like and Na-like ions with 26 ≤ Z ≤ 92

NASA Astrophysics Data System (ADS)

Fontes, Christopher J.; Zhang, Hong Lin

2017-01-01

Relativistic distorted-wave collision strengths have been calculated for all possible Δn = 0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤ 92. This choice produces 3 transitions with n = 2 in the Li-like and F-like ions, and 10 transitions with n = 3 in the Na-like ions. For the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E‧ = 0.008 , 0.04 , 0.10 , 0.21 , 0.41, and 0.75, where E‧ is in units of Zeff2 Ry with Zeff = Z - 1.66 for Li-like ions and Zeff = Z - 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E‧ = 0.0025 , 0.015 , 0.04 , 0.10 , 0.21, and 0.40, with Zeff = Z - 8.34. In the present calculations, an improved "top-up" method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb-Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. The collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.

Relativistic distorted-wave collision strengths for Δn = 0 transitions in the 67 Li-like, F-like and Na-like ions with 26 ≤ Z ≤ 92

DOE PAGES

Fontes, Christopher J.; Zhang, Hong Lin

2017-01-01

We calculated relativistic distorted-wave collision strength for all possible Δn=0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤92. This choice produces 3 transitions with n=2 in the Li-like and F-like ions, and 10 transitions with n=3 in the Na-like ions. Moreover, for the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E'=0.008,0.04,0.10,0.21,0.41, and 0.75, where E' is in units of Zmore » $$2\\atop{eff}$$ Ry with Z eff = Z- 1.66 for Li-like ions and Z eff= Z- 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E'=0.0025,0.015,0.04,0.10,0.21, and 0.40, with Z eff = Z- 8.34. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. Finally, the collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.« less

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.

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

Evolution of E 2 transition strength in deformed hafnium isotopes from new measurements on 172Hf,174Hf, and 176Hf

NASA Astrophysics Data System (ADS)

Rudigier, M.; Nomura, K.; Dannhoff, M.; Gerst, R.-B.; Jolie, J.; Saed-Samii, N.; Stegemann, S.; Régis, J.-M.; Robledo, L. M.; Rodríguez-Guzmán, R.; Blazhev, A.; Fransen, Ch.; Warr, N.; Zell, K. O.

2015-04-01

Background: The available data for E 2 transition strengths in the region between neutron-deficient hafnium and platinum isotopes are far from complete. More and precise data are needed to enhance the picture of structure evolution in this region and to test state-of-the-art nuclear models. In a simple model, the maximum collectivity is expected at the middle of the major shell. However, for actual nuclei, particularly in heavy-mass regions, which should be highly complex, this picture may no longer be the case, and one should use a more realistic nuclear-structure model. We address this point by studying the spectroscopy of Hf as a representative case. Purpose: We remeasure the 21+ half-lives of 172,174,176Hf, for which there is some disagreement in the literature. The main goal is to measure, for the first time, the half-lives of higher-lying states of the rotational band. The new results are compared to a theoretical calculation for absolute transition strengths. Method: The half-lives were measured using γ -γ and conversion-electron-γ delayed coincidences with the fast timing method. For the determination of half-lives in the picosecond region, the generalized centroid difference method was applied. For the theoretical calculation of the spectroscopic properties, the interacting boson model is employed, whose Hamiltonian is determined based on microscopic energy-density functional calculations. Results: The measured 21+ half-lives disagree with results from earlier γ -γ fast timing measurements, but are in agreement with data from Coulomb excitation experiments and other methods. Half-lives of the 41+ and 61+ states were measured, as well as a lower limit for the 81+ states. Conclusions: This work shows the importance of a mass-dependent effective boson charge in the interacting boson model for the description of E 2 transition rates in chains of nuclei. It encourages further studies of the microscopic origin of this mass dependence. New experimental

Cholesteric pitch transitions induced by mechanical strain.

PubMed

Lelidis, I; Barbero, G; Alexe-Ionescu, A L

2013-02-01

We investigate thickness and surface anchoring strength influence on pitch transitions in a planar cholesteric liquid crystal layer. The cholesteric-nematic transition is also investigated. We assume planar boundary conditions, with strong anchoring strength at one interface and weak anchoring strength at the other. The surface anchoring energy we consider to describe the deviation of the surface twist angle from the easy axis induced by a bulk deformation is a parabolic potential or Rapini and Papoular periodic potential, respectively. We show that under strain, all pitch transitions take place at a critical thickness that is equal to the quarter of the natural cholesteric pitch. The latter result does not depend on the anchoring strength, the particular surface potential, or material properties. The twist angle on the limiting surface characterized by weak anchoring varies with strain either by slipping and or in a discontinuous manner according to the thickness of the sample. The position of the bifurcation point depends only on the ratio of the extrapolation length over the layer thickness, but its value is model dependent. Multistability and multiplicity of the transition are discussed.

Transition Probabilities for Hydrogen-Like Atoms

NASA Astrophysics Data System (ADS)

Jitrik, Oliverio; Bunge, Carlos F.

2004-12-01

E1, M1, E2, M2, E3, and M3 transition probabilities for hydrogen-like atoms are calculated with point-nucleus Dirac eigenfunctions for Z=1-118 and up to large quantum numbers l=25 and n=26, increasing existing data more than a thousandfold. A critical evaluation of the accuracy shows a higher reliability with respect to previous works. Tables for hydrogen containing a subset of the results are given explicitly, listing the states involved in each transition, wavelength, term energies, statistical weights, transition probabilities, oscillator strengths, and line strengths. The complete results, including 1 863 574 distinct transition probabilities, lifetimes, and branching fractions are available at http://www.fisica.unam.mx/research/tables/spectra/1el

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

Improving the toughness of ultrahigh strength steel

NASA Astrophysics Data System (ADS)

Sato, Koji

2002-01-01

The ideal structural steel combines high strength with high fracture toughness. This dissertation discusses the toughening mechanism of the Fe/Co/Ni/Cr/Mo/C steel, AerMet 100, which has the highest toughness/strength combination among all commercial ultrahigh strength steels. The possibility of improving the toughness of this steel was examined by considering several relevant factors. Chapter 1 reviews the mechanical properties of ultrahigh strength steels and the physical metallurgy of AerMet 100. It also describes the fracture mechanisms of steel, i.e. ductile microvoid coalescence, brittle transgranular cleavage, and intergranular separation. Chapter 2 examines the strength-toughness relationship for three heats of AerMet 100. A wide variation of toughness is obtained at the same strength level. The toughness varies despite the fact that all heat fracture in the ductile fracture mode. The difference originates from the inclusion content. Lower inclusion volume fraction and larger inclusion spacing gives rise to a greater void growth factor and subsequently a higher fracture toughness. The fracture toughness value, JIc, is proportional to the particle spacing of the large non-metallic inclusions. Chapter 3 examines the ductile-brittle transition of AerMet 100 and the effect of a higher austenitization temperature, using the Charpy V-notch test. The standard heat treatment condition of AerMet 100 shows a gradual ductile-brittle transition due to its fine effective grain size. Austenitization at higher temperature increases the prior austenite grain size and packet size, leading to a steeper transition at a higher temperature. Both transgranular cleavage and intergranular separation are observed in the brittle fracture mode. Chapter 4 examines the effect of inclusion content, prior austenite grain size, and the amount of austenite on the strength-toughness relationship. The highest toughness is achieved by low inclusion content, small prior austenite grain size

Elastic and anelastic relaxations associated with the incommensurate structure of Pr0.48Ca0.52MnO3

NASA Astrophysics Data System (ADS)

Carpenter, Michael A.; Howard, Christopher J.; McKnight, Ruth E. A.; Migliori, Albert; Betts, Jon B.; Fanelli, Victor R.

2010-10-01

The elastic and anelastic properties of a polycrystalline sample of Pr0.48Ca0.52MnO3 have been investigated by resonant ultrasound spectroscopy, as a function of temperature (10-1130 K) and magnetic field strength (0-15 T). Marked softening of the shear modulus as the Pnma↔incommensurate phase transition at ˜235K in zero field is approached from either side is consistent with pseudoproper ferroelastic character, driven by an order parameter with Γ3+ symmetry associated with Jahn-Teller ordering. This is accompanied by an increase in attenuation just below the transition point. The attenuation remains relatively high down to ˜80K , where there is a distinct Debye peak. It is attributed to coupling of shear strain with the Γ3+ order parameter which, in turn, controls the repeat distance of the incommensurate structure. Kinetic data extracted from the Debye peak suggest that the rate-controlling process could be related to migration of polarons. Elastic softening and stiffening as a function of magnetic field at constant temperatures between 177 and ˜225K closely resembles the behavior as a function of temperature at 0, 5, and 10 T and is consistent with thermodynamically continuous behavior for the phase transition in both cases. This overall pattern can be rationalized in terms of linear/quadratic coupling between the Γ3+ order parameter and an order parameter with Σ1 or Σ2 symmetry. It is also consistent with a dominant role for spontaneous strains in determining the strength of coupling, evolution of the incommensurate microstructure, and equilibrium evolution of the Jahn-Teller ordered structure through multicomponent order-parameter space.

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.

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.

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.

Relativistic distorted-wave collision strengths for the 49 Δn=0 optically allowed transitions with n=2 in the 67 N-like ions with 26≤Z≤92

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

Fontes, Christopher J., E-mail: cjf@lanl.gov; Zhang, Hong Lin

2014-09-15

Relativistic distorted-wave collision strengths have been calculated for the 49 Δn=0 optically allowed transitions with n=2 in the 67 N-like ions with nuclear charge number Z in the range 26≤Z≤92. The calculations were made for the four final, or scattered, electron energies E{sup ′}=0.20, 0.42, 0.80, and 1.40, where E{sup ′} is in units of Z{sub eff}{sup 2} Ry with Z{sub eff}=Z−5. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in the previous work by Zhangmore » and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 72 (1999) 153]. In that earlier work, collision strengths were also provided for N-like ions, but for a more comprehensive data set consisting of all possible 105 Δn=0 transitions, six scattered energies and the 81 ions with Z in the range 12≤Z≤92. The collision strengths covered in the present work should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 72 (1999) 153] and are presented here to replace those earlier results.« less

Relativistic distorted-wave collision strengths for the 16 Δn=0 optically allowed transitions with n=2 in the 67 O-like ions with 26≤Z≤92

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

Fontes, Christopher J., E-mail: cjf@lanl.gov; Zhang, Hong Lin

2015-01-15

Relativistic distorted-wave collision strengths have been calculated for the 16 Δn=0 optically allowed transitions with n=2 in the 67 O-like ions with nuclear charge number Z in the range 26≤Z≤92. The calculations were made for the four final, or scattered, electron energies E{sup ′}=0.20,0.42,0.80, and 1.40, where E{sup ′} is in units of Z{sub eff}{sup 2} Ry with Z{sub eff}=Z−5.83. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous work by Zhang and Sampson [H.L.more » Zhang, D.H. Sampson, At. Data Nucl. Data Tables 82 (2002) 357]. In that earlier work, collision strengths were also provided for O-like ions, but for a more comprehensive data set consisting of all possible 45 Δn=0 transitions, six scattered energies, and the 79 ions with Z in the range 14≤Z≤92. The collision strengths covered in the present work should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang, D.H. Sampson, At. Data Nucl. Data Tables 82 (2002) 357] and are presented here to replace those earlier results.« less

Relativistic distorted-wave collision strengths for the 49 Δn=0 optically allowed transitions with n=2 in the 67 B-like ions with 26≤Z≤92

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

Fontes, Christopher J., E-mail: cjf@lanl.gov; Zhang, Hong Lin

2014-05-15

Relativistic distorted-wave collision strengths have been calculated for the 49 Δn=0 optically allowed transitions with n=2 in the 67 B-like ions with nuclear charge number Z in the range 26≤Z≤92. The calculations were made for the four final, or scattered, electron energies E{sup ′}=0.20, 0.42, 0.80, and 1.40, where E{sup ′} is in units of Z{sub eff}{sup 2} Ry with Z{sub eff}=Z−3.33. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous work by Zhang andmore » Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 56 (1994) 41]. In that earlier work, collision strengths were also provided for B-like ions, but for a more comprehensive data set consisting of all 105 Δn=0 transitions, six scattered energies and the 85 ions with Z in the range 8≤Z≤92. The collision strengths covered in the present work should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 56 (1994) 41] and are presented here to replace those earlier results.« less

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

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

Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors

DOE PAGES

Kasahara, Y.; Takeuchi, Y.; Zadik, R. H.; ...

2017-02-17

Controlled access to the border of the Mott insulating state by variation of control parameters offers exotic electronic states such as anomalous and possibly high-transition-temperature (T c) superconductivity. The alkali-doped fullerides show a transition from a Mott insulator to a superconductor for the first time in three-dimensional materials, but the impact of dimensionality and electron correlation on superconducting properties has remained unclear. Here we show that, near the Mott insulating phase, the upper critical field H c2 of the fulleride superconductors reaches values as high as ~90 T—the highest among cubic crystals. This is accompanied by a crossover from weak-more » to strong-coupling superconductivity and appears upon entering the metallic state with the dynamical Jahn–Teller effect as the Mott transition is approached. Lastly, these results suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity with high-T c and high-H c2.« less

Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors

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

Kasahara, Y.; Takeuchi, Y.; Zadik, R. H.

Controlled access to the border of the Mott insulating state by variation of control parameters offers exotic electronic states such as anomalous and possibly high-transition-temperature (T c) superconductivity. The alkali-doped fullerides show a transition from a Mott insulator to a superconductor for the first time in three-dimensional materials, but the impact of dimensionality and electron correlation on superconducting properties has remained unclear. Here we show that, near the Mott insulating phase, the upper critical field H c2 of the fulleride superconductors reaches values as high as ~90 T—the highest among cubic crystals. This is accompanied by a crossover from weak-more » to strong-coupling superconductivity and appears upon entering the metallic state with the dynamical Jahn–Teller effect as the Mott transition is approached. Lastly, these results suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity with high-T c and high-H c2.« less

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.

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.

Strength and durability of concrete: Effects of cement paste-aggregate interfaces. Part 2: Significance of transition zones on physical and mechanical properties of portland cement mortar; Final report

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

Lee, T.F.F.; Cohen, M.D.; Chen, W.F.

1998-08-01

The research was based on a two-part basic research investigation studying the effects of cement paste-aggregate interfaces (or interfacial transition zones-ITZ) on strength and durability of concrete. Part 1 dealt with the theoretical study and Part 2 dealt with the experimental.

Strength and durability of concrete: Effects of cement paste-aggregate interfaces. Part 1: Theoretical study on influence of interfacial transition zone on properties of concrete materials; Final report

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

Zhang, Y.; Chen, W.F.

1998-08-01

This research was based on a two-part basic research investigation studying the effects of cement paste-aggregate interfaces (or interfacial transition zones-ITZ) on strength and durability of concrete. Part 1 dealt with the theoretical study and Part 2 dealt with the experimental.

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.

Spectroscopy of 50Sc and ab initio calculations of B (M 3 ) strengths

NASA Astrophysics Data System (ADS)

Garnsworthy, A. B.; Bowry, M.; Olaizola, B.; Holt, J. D.; Stroberg, S. R.; Cruz, S.; Georges, S.; Hackman, G.; MacLean, A. D.; Measures, J.; Patel, H. P.; Pearson, C. J.; Svensson, C. E.

2017-10-01

The GRIFFIN spectrometer at TRIUMF-ISAC has been used to study excited states and transitions in 50Sc following the β decay of 50Ca. Branching ratios were determined from the measured γ -ray intensities, and angular correlations of γ rays have been used to firmly assign the spins of excited states. The presence of an isomeric state that decays by an M 3 transition with a B (M 3 ) strength of 13.6(7) W.u. has been confirmed. We compare the first ab initio calculations of B (M 3 ) strengths in light- and medium-mass nuclei from the valence-space in-medium similarity renormalization group approach, using consistently derived effective Hamiltonians and effective M 3 operator. The experimental data are well reproduced for isoscalar M 3 transitions when using bare g factors, but the strength of isovector M 3 transitions are found to be underestimated by an order of magnitude.

Ultrafast optically induced ferromagnetic/anti-ferromagnetic phase transition in GdTiO3 from first principles

NASA Astrophysics Data System (ADS)

Khalsa, Guru; Benedek, Nicole A.

2018-03-01

Epitaxial strain and chemical substitution have been the workhorses of functional materials design. These static techniques have shown immense success in controlling properties in complex oxides through the tuning of subtle structural distortions. Recently, an approach based on the excitation of an infrared active phonon with intense midinfrared light has created an opportunity for dynamical control of structure through special nonlinear coupling to Raman phonons. We use first-principles techniques to show that this approach can dynamically induce a magnetic phase transition from the ferromagnetic ground state to a hidden antiferromagnetic phase in the rare earth titanate GdTiO3 for realistic experimental parameters. We show that a combination of a Jahn-Teller distortion, Gd displacement, and infrared phonon motion dominate this phase transition with little effect from the octahedral rotations, contrary to conventional wisdom.

(Finite) statistical size effects on compressive strength.

PubMed

Weiss, Jérôme; Girard, Lucas; Gimbert, Florent; Amitrano, David; Vandembroucq, Damien

2014-04-29

The larger structures are, the lower their mechanical strength. Already discussed by Leonardo da Vinci and Edmé Mariotte several centuries ago, size effects on strength remain of crucial importance in modern engineering for the elaboration of safety regulations in structural design or the extrapolation of laboratory results to geophysical field scales. Under tensile loading, statistical size effects are traditionally modeled with a weakest-link approach. One of its prominent results is a prediction of vanishing strength at large scales that can be quantified in the framework of extreme value statistics. Despite a frequent use outside its range of validity, this approach remains the dominant tool in the field of statistical size effects. Here we focus on compressive failure, which concerns a wide range of geophysical and geotechnical situations. We show on historical and recent experimental data that weakest-link predictions are not obeyed. In particular, the mechanical strength saturates at a nonzero value toward large scales. Accounting explicitly for the elastic interactions between defects during the damage process, we build a formal analogy of compressive failure with the depinning transition of an elastic manifold. This critical transition interpretation naturally entails finite-size scaling laws for the mean strength and its associated variability. Theoretical predictions are in remarkable agreement with measurements reported for various materials such as rocks, ice, coal, or concrete. This formalism, which can also be extended to the flowing instability of granular media under multiaxial compression, has important practical consequences for future design rules.

Finite-temperature fluid–insulator transition of strongly interacting 1D disordered bosons

PubMed Central

Michal, Vincent P.; Aleiner, Igor L.; Altshuler, Boris L.; Shlyapnikov, Georgy V.

2016-01-01

We consider the many-body localization–delocalization transition for strongly interacting one-dimensional disordered bosons and construct the full picture of finite temperature behavior of this system. This picture shows two insulator–fluid transitions at any finite temperature when varying the interaction strength. At weak interactions, an increase in the interaction strength leads to insulator → fluid transition, and, for large interactions, there is a reentrance to the insulator regime. It is feasible to experimentally verify these predictions by tuning the interaction strength with the use of Feshbach or confinement-induced resonances, for example, in 7Li or 39K. PMID:27436894

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.

Lifetimes and Oscillator Strengths for Ultraviolet Transitions Involving ns2nd 2D and nsnp2 2D terms in Pb II, Sn II, and Ge II

NASA Astrophysics Data System (ADS)

Federman, Steven Robert; Heidarian, Negar; Irving, Richard; Ellis, David; Ritchey, Adam M.; Cheng, Song; Curtis, Larry; Furman, Walter

2017-06-01

Radiative transitions of heavy elements are of great importance in astrophysics. Studying the transition rates and their corresponding oscillator strengths allows us to determine abundances of these heavy elements and therefore leads to better understanding of neutron capture processes. We provide the results of our studies on the transitions involving ns2nd 2D and nsnp2 2D terms to the ground term for Pb II, Sn II, and Ge II. These transitions are also of interest due to their strong mixing. Our studies involve experimental measurements performed at the Toledo Heavy Ion Accelerator and theoretical multi-configuration Dirac Hartree-Fock (MCDHF)1 calculations using the development version of the GRASP2K package2. The results are compared with Pb II lines seen in spectra acquired with the Hubble Space Telescope and with other values available in the literature. 1 P. Jönsson et al., The Computational Atomic Structure Group (2014).2 P. Jönsson et al., Comput. Phys. Commun. 184, 2197 (2013).

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

Transition sum rules in the shell model

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

Lu, Yi; Johnson, Calvin W.

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy- weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, in the case of the EWSR a double commutator. While most prior applications of the double-commutator have been to special cases, we derive general formulas for matrix elements of bothmore » operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We then apply this simple tool to a number of nuclides, and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E1) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground state electric quadrupole (E2) centroids in the $sd$-shell.« less

Transition sum rules in the shell model

DOE PAGES

Lu, Yi; Johnson, Calvin W.

2018-03-29

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy- weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, in the case of the EWSR a double commutator. While most prior applications of the double-commutator have been to special cases, we derive general formulas for matrix elements of bothmore » operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We then apply this simple tool to a number of nuclides, and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E1) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground state electric quadrupole (E2) centroids in the $sd$-shell.« less

Transition sum rules in the shell model

NASA Astrophysics Data System (ADS)

Lu, Yi; Johnson, Calvin W.

2018-03-01

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy-weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, which in the case of the EWSR is a double commutator. While most prior applications of the double commutator have been to special cases, we derive general formulas for matrix elements of both operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We apply this simple tool to a number of nuclides and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E 1 ) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground-state electric quadrupole (E 2 ) centroids in the s d shell.

CI+MBPT calculations of Ar I energies, g factors, and transition line strengths

NASA Astrophysics Data System (ADS)

Savukov, I. M.

2018-03-01

Excited states of noble gas atoms present certain challenges to atomic theory for several reasons: first, relativistic effects are important and LS coupling is not optimal; second, energy intervals can be quite small, leading to strong mixing of states; third, many-body perturbation theory for hole states does not converge well. Previously, some attempts were made to solve this problem, using for example the all-order coupled-cluster approach and particle-hole configuration-interaction many-body perturbation theory (CI-MBPT) with modified denominators. However, while these approaches were promising, the accuracy was still limited. In this paper, we calculate Ar I energies, g factors, and transition amplitudes using ab initio CI-MBPT with eight valence electrons to avoid the problem of slow convergence of MBPT due to strong interaction between 3p and 3s states. We also included in CI many dominant states obtained by double excitations of the ground state configuration. Thus perturbation corrections were needed only for 1s, 2s, 2p core electrons non-included in valence-valence CI, which are quite small. We found that energy, g factors, and electric dipole matrix elements are in reasonable agreement with experiments. It is noteworthy that the theory agreed well with accurately measured g factors. Experimental oscillator strengths have large uncertainty, so in some cases we made a comparison with average values.

Consequences of acid strength for isomerization and elimination catalysis on solid acids.

PubMed

Macht, Josef; Carr, Robert T; Iglesia, Enrique

2009-05-13

We address here the manner in which acid catalysis senses the strength of solid acids. Acid strengths for Keggin polyoxometalate (POM) clusters and zeolites, chosen because of their accurately known structures, are described rigorously by their deprotonation energies (DPE). Mechanistic interpretations of the measured dynamics of alkane isomerization and alkanol dehydration are used to obtain rate and equilibrium constants and energies for intermediates and transition states and to relate them to acid strength. n-Hexane isomerization rates were limited by isomerization of alkoxide intermediates on bifunctional metal-acid mixtures designed to maintain alkane-alkene equilibrium. Isomerization rate constants were normalized by the number of accessible protons, measured by titration with 2,6-di-tert-butylpyridine during catalysis. Equilibrium constants for alkoxides formed by protonation of n-hexene increased slightly with deprotonation energies (DPE), while isomerization rate constants decreased and activation barriers increased with increasing DPE, as also shown for alkanol dehydration reactions. These trends are consistent with thermochemical analyses of the transition states involved in isomerization and elimination steps. For all reactions, barriers increased by less than the concomitant increase in DPE upon changes in composition, because electrostatic stabilization of ion-pairs at the relevant transition states becomes more effective for weaker acids, as a result of their higher charge density at the anionic conjugate base. Alkoxide isomerization barriers were more sensitive to DPE than for elimination from H-bonded alkanols, the step that limits 2-butanol and 1-butanol dehydration rates; the latter two reactions showed similar DPE sensitivities, despite significant differences in their rates and activation barriers, indicating that slower reactions are not necessarily more sensitive to acid strength, but instead reflect the involvement of more unstable organic

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.

Transition to complete synchronization and global intermittent synchronization in an array of time-delay systems.

PubMed

Suresh, R; Senthilkumar, D V; Lakshmanan, M; Kurths, J

2012-07-01

We report the nature of transitions from the nonsynchronous to a complete synchronization (CS) state in arrays of time-delay systems, where the systems are coupled with instantaneous diffusive coupling. We demonstrate that the transition to CS occurs distinctly for different coupling configurations. In particular, for unidirectional coupling, locally (microscopically) synchronization transition occurs in a very narrow range of coupling strength but for a global one (macroscopically) it occurs sequentially in a broad range of coupling strength preceded by an intermittent synchronization. On the other hand, in the case of mutual coupling, a very large value of coupling strength is required for local synchronization and, consequently, all the local subsystems synchronize immediately for the same value of the coupling strength and, hence, globally, synchronization also occurs in a narrow range of the coupling strength. In the transition regime, we observe a type of synchronization transition where long intervals of high-quality synchronization which are interrupted at irregular times by intermittent chaotic bursts simultaneously in all the systems and which we designate as global intermittent synchronization. We also relate our synchronization transition results to the above specific types using unstable periodic orbit theory. The above studies are carried out in a well-known piecewise linear time-delay system.

Transition probabilities of Br II

NASA Technical Reports Server (NTRS)

Bengtson, R. D.; Miller, M. H.

1976-01-01

Absolute transition probabilities of the three most prominent visible Br II lines are measured in emission. Results compare well with Coulomb approximations and with line strengths extrapolated from trends in homologous atoms.

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

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

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

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.

Transition Summary, 1986.

ERIC Educational Resources Information Center

Transition Summary, 1986

1986-01-01

Two articles examine issues of transition for people with mental retardation. The first article describes how the Ohio Association for Retarded Citizens (ARC) developed a parent-based project to monitor the quality of residential placements. The project was intended to assess both the strengths and weaknesses of community residential programs, to…

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

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

Infrared Rydberg Transitions in B Stars.

NASA Astrophysics Data System (ADS)

Sigut, Thomas Allan Aaron

1995-01-01

The infrared solar spectrum exhibits emission lines near 12 μm from the Mg scI high-l Rydberg transitions 6g - 7h and 6h - 7i. Chang et al. (1991) demonstrated that the emission arises from small deviations in the populations of these Rydberg levels from their thermodynamic equilibrium values. In this thesis, the possible operation of this emission mechanism is investigated in the B stars by performing non-LTE radiative transfer calculations for the high-l Rydberg transitions of Mg scII and O scI. Highly realistic atomic models are employed, complete in energy levels and radiative transitions far into the Rydberg regime. For Mg scII, the collisional excitation rates are improved by computing collision strengths in a 10 state close-coupling approximation using the R-matrix method. The collisional excitation rates derived from these collisions strengths include the full effects of autoionizing resonances and have an expected accuracy of +/-10% for transitions between levels lying low in energy in the close-coupling expansion. For Mg scII, wide-ranging infrared emission is found, spanning the entire range of B spectral types. The emission is caused by the same mechanism operative in the Rydberg levels of Mg scI in the sun. Small divergences between the Rydberg departure coefficients produce rising monochromatic source functions and emission. Flux profiles of the Mg scII high-l ( Delta n = +1) transitions from n = 4 and 5 show an emission peak superposed on wider absorption trough, similar in form to the solar Mg scI lines, while for higher n, the profiles are in full emission. The strongest emission is predicted for transitions from n = 5, 6, and 7 and strongly increases for lower surface gravities where the rates of thermalizing collisions are lower. The emission strengths reach maxima of Flambda /Fc ~ 1.15 and Wlambda ~ -0.1 A. Transitions from higher n exhibit progressively lower continuum contrasts due to the steep rise with wavelength of the continuous opacity

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation.

PubMed

Lestrange, Patrick J; Egidi, Franco; Li, Xiaosong

2015-12-21

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strength can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

NASA Astrophysics Data System (ADS)

Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong

2015-12-01

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strength can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.

VizieR Online Data Catalog: Ba V, Ba VI, and Ba VII oscillator strengths (Rauch+, 2014)

NASA Astrophysics Data System (ADS)

Rauch, T.; Werner, K.; Quinet, P.; Kruk, J. W.

2014-04-01

table1.dat contains calculated HFR oscillator strengths (loggf) and transition probabilities (gA, in 1/s) in Ba V. CF is the cancellation factor as defined by Cowan (1981). In columns 3 and 6, e is written for even and o for odd. table2.dat contains calculated HFR oscillator strengths (loggf) and transition probabilities (gA, in 1/s) in Ba VI. CF is the cancellation factor as defined by Cowan (1981). In columns 3 and 6, e is written for even and o for odd. table3.dat contains calculated HFR oscillator strengths (loggf) and transition probabilities (gA, in 1/s) in Ba VII. CF is the cancellation factor as defined by Cowan (1981). In columns 3 and 6, e is written for even and o for odd. (3 data files).

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

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

Transition and Electron Impact Excitation Collision Rates for O III

NASA Astrophysics Data System (ADS)

Tayal, S. S.; Zatsarinny, O.

2017-12-01

Transition probabilities, electron excitation collision strengths, and rate coefficients for a large number of O III lines over a broad wavelength range, from the infrared to ultraviolet, have been reported. The collision strengths have been calculated in the close-coupling approximation using the B-spline Breit-Pauli R-matrix method. The multiconfiguration Hartree-Fock method in combination with B-spline expansions is employed for an accurate representation of the target wave functions. The close-coupling expansion contains 202 O2+ fine-structure levels of the 2{s}22{p}2,2s2{p}3, 2{p}4,2{s}22p3s,3p,3d, 4s,4p,4d,4f,5s, and 2s2{p}33s,3p,3d configurations. The effective collision strengths are obtained by averaging electron excitation collision strengths over a Maxwellian distribution of velocities at electron temperatures ranging from 100 to 100,000 K. The calculated effective collision strengths have been reported for the 20,302 transitions between all 202 fine-structure levels. There is an overall good agreement with the recent R-matrix calculations by Storey et al. for the transitions between all levels of the ground 2{s}22{p}2 configuration, but significant discrepancies have been found with Palay et al. for transitions to the 2{s}22{p}2 1 S 0 level. Line intensity ratios between the optical lines arising from the 2{s}22{p}2{}3{P}{0,1,2} - 1 D 2 transitions have been compared with other calculations and observations from the photoionized gaseous nebulae, and good agreement is found. The present calculations provide the most complete and accurate data sets, which should allow a more detailed treatment of the available measured spectra from different ground and space observatories.

E 3 and M 2 transition strengths in Bi20983

NASA Astrophysics Data System (ADS)

Roberts, O. J.; NiÅ£ǎ, C. R.; Bruce, A. M.; Mǎrginean, N.; Bucurescu, D.; Deleanu, D.; Filipescu, D.; Florea, N. M.; Gheorghe, I.; GhiÅ£ǎ, D.; Glodariu, T.; Lica, R.; Mǎrginean, R.; Mihai, C.; Negret, A.; Sava, T.; Stroe, L.; Şuvǎilǎ, R.; Toma, S.; Alharbi, T.; Alexander, T.; Aydin, S.; Brown, B. A.; Browne, F.; Carroll, R. J.; Mulholland, K.; Podolyák, Zs.; Regan, P. H.; Smith, J. F.; Smolen, M.; Townsley, C. M.

2016-01-01

The 1 i13/2→1 h9/2 (M 2 ) and 3 s1/2→2 f7/2 (E 3 ) reduced proton transition probabilities in Bi20983 have been determined from the direct half-life measurements of the 13/21+ and 1/21+ states using the Romanian array for γ -ray SPectroscopy in HEavy ion REactions (RoSPHERE). The 13/21+ and 1/21+ states were found to have T1/2=0.120 (15 ) ns and T1/2=9.02 (24 ) ns respectively. Angular distribution measurements were used to determine an E 3 /M 2 mixing ratio of δ =-0.184 (13 ) for the 1609 keV γ -ray transition deexciting the 13/21+ state. This value for δ was combined with the measured half-life to give reduced transition probabilities of B (E 3 ,13/21+→9/21-) =12 (2 ) ×103 e2fm6 and B (M 2 ,13/21+→9/21-) =38 (5 ) μN2fm2 . These values are in good agreement with calculations within the finite Fermi system. The extracted value of B (E 3 ,1/21+→7/21-) =6.3 (2 ) ×103 e2fm6 can be explained by a small (˜6 % ) admixture in the wave function of the 1/21+ state.

ScienceToGo.org: The Strengths and Weaknesses of Communicating Climate Change through Mass Transit Advertising Spaces

NASA Astrophysics Data System (ADS)

Lustick, D. S.; Lohmeier, J.; Chen, R. F.; Wilson, R.; Rabkin, D.; Thompson, S. R.

2016-02-01

Engaging urban populations with climate change science is a difficult challenge since cities can seem so removed from the `natural environment.' However, mass transit provides an inherent means of communicating environmental messages with a cross section of the urban population. The Out of Home Media (OHM) spaces found on platforms and inside train cars provide a potentially effective means of bringing informal science learning opportunities directly to an underserved STEM audience. Our team felt that any messaging curriculum for a coastal urban subway system must complement the scary reality of the impacts of a changing climate (i.e. rising sea levels) with current examples of how the city is preparing for a more sustainable future. Urban areas such as Boston must develop adaptation and mitigation strategies that will help them not only survive, but thrive in a changing environment. In 2013-14, ScienceToGo.org ran a series of 12 engaging posters and placards staring `Ozzie the Ostrich' on the Massachusetts Bay Transit Authority's Red and Orange subway lines targeting an audience of more than 400,000 riders per day. The 12 month curriculum was divided into three phases: reality, relevance, and hope. During the presentation, we will present the results of our quasi-experimental research which identifies, quantifies, and explains the observed impacts of the campaign on adult riders. The strengths and weaknesses of the communication strategy will be discussed. Finally, we will conclude with some recommendations for how this work could improve and inform other urban informal science learning initiatives.

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.

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…

Isovector excitations in 100Nb and their decays by neutron emission studied via the Mo 100 ( t , He 3 + n ) reaction at 115 MeV/u

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

Miki, K.; Zegers, R. G. T.; Austin, Sam M.

Here, spin–isospin excitations in 100Nb were studied via the charge-exchange reaction at 115 MeV/u with the goal to constrain theoretical models used to describe the isovector spin response of nuclei. The experiment was performed with a secondary beam of tritons, and 3He particles were analyzed in the S800 magnetic spectrometer. Decay by neutron emission from excited states in 100Nb was observed by using plastic and liquid scintillator arrays. Differential cross sections were analyzed and monopole excitations were revealed by using a multipole decomposition analysis. The Gamow–Teller transition strength observed at low excitation energies, which is important for estimating the electron-capturemore » rate in astrophysical scenarios, was strongly fragmented and reduced compared to single-particle and spherical mean-field models. The consideration of deformation in the theoretical estimates was found to be important to better describe the fragmentation and strengths. A strong excitation of the isovector spin giant monopole resonance was observed, and well reproduced by the mean-field models. Its presence makes the extraction of Gamow–Teller strengths at high excitation energies difficult. The branches for statistical and direct decay by neutron emission were identified in the spectra. The upper limit for the branching ratio by direct decay (integrated over all observed excitations) was determined to be 20 ± 6%. Even though the statistical uncertainties in the neutron-coincident data were too large to perform detailed studies of the decay by neutron emission from individual states and resonances, the experiment demonstrates the feasibility of the method.« less

Isovector excitations in 100Nb and their decays by neutron emission studied via the Mo 100 ( t , He 3 + n ) reaction at 115 MeV/u

DOE PAGES

Miki, K.; Zegers, R. G. T.; Austin, Sam M.; ...

2017-04-07

Here, spin–isospin excitations in 100Nb were studied via the charge-exchange reaction at 115 MeV/u with the goal to constrain theoretical models used to describe the isovector spin response of nuclei. The experiment was performed with a secondary beam of tritons, and 3He particles were analyzed in the S800 magnetic spectrometer. Decay by neutron emission from excited states in 100Nb was observed by using plastic and liquid scintillator arrays. Differential cross sections were analyzed and monopole excitations were revealed by using a multipole decomposition analysis. The Gamow–Teller transition strength observed at low excitation energies, which is important for estimating the electron-capturemore » rate in astrophysical scenarios, was strongly fragmented and reduced compared to single-particle and spherical mean-field models. The consideration of deformation in the theoretical estimates was found to be important to better describe the fragmentation and strengths. A strong excitation of the isovector spin giant monopole resonance was observed, and well reproduced by the mean-field models. Its presence makes the extraction of Gamow–Teller strengths at high excitation energies difficult. The branches for statistical and direct decay by neutron emission were identified in the spectra. The upper limit for the branching ratio by direct decay (integrated over all observed excitations) was determined to be 20 ± 6%. Even though the statistical uncertainties in the neutron-coincident data were too large to perform detailed studies of the decay by neutron emission from individual states and resonances, the experiment demonstrates the feasibility of the method.« less

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.

Functional changes through the usage of 3D-printed transitional prostheses in children.

PubMed

Zuniga, Jorge M; Peck, Jean L; Srivastava, Rakesh; Pierce, James E; Dudley, Drew R; Than, Nicholas A; Stergiou, Nicholas

2017-11-08

There is limited knowledge on the use of 3 D-printed transitional prostheses, as they relate to changes in function and strength. Therefore, the purpose of this study was to identify functional and strength changes after usage of 3 D-printed transitional prostheses for multiple weeks for children with upper-limb differences. Gross manual dexterity was assessed using the Box and Block Test and wrist strength was measured using a dynamometer. This testing was conducted before and after a period of 24 ± 2.61 weeks of using a 3 D-printed transitional prosthesis. The 11 children (five girls and six boys; 3-15 years of age) who participated in the study, were fitted with a 3 D-printed transitional partial hand (n = 9) or an arm (n = 2) prosthesis. Separate two-way repeated measures ANOVAs were performed to analyze function and strength data. There was a significant hand by time interaction for function, but not for strength. Conclusion and relevance to the study of disability and rehabilitation: The increase in manual gross dexterity suggests that the Cyborg Beast 2 3 D-printed prosthesis can be used as a transitional device to improve function in children with traumatic or congenital upper-limb differences. Implications for Rehabilitation Children's prosthetic needs are complex due to their small size, rapid growth, and psychosocial development. Advancements in computer-aided design and additive manufacturing offer the possibility of designing and printing transitional prostheses at a very low cost, but there is limited knowledge on the function of this type of devices. The use of 3D printed transitional prostheses may improve manual gross dexterity in children after several weeks of using it.

Non-equilibrium quantum phase transition via entanglement decoherence dynamics.

PubMed

Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min

2016-10-07

We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained.

Applying Hope Theory to Support Middle School Transitions

ERIC Educational Resources Information Center

Akos, Patrick; Kurz, Maureen Shields

2016-01-01

Middle grades transitions pose challenges to many students who meet these tasks with varying levels of success. Contemporary developmental and strengths-based literature offers Hope Theory (Snyder, 2002), a research supported approach that can mitigate risks in school transitions. This article describes how middle grades educators can apply the…

A Longitudinal Study into Indicators of Mental Health, Strengths and Difficulties Reported by Boarding Students as They Transition from Primary School to Secondary Boarding Schools in Perth, Western Australia

ERIC Educational Resources Information Center

Mander, David J.; Lester, Leanne

2017-01-01

This study examined indicators of mental health, as well as strengths and difficulties, as reported by same-age boarding and non-boarding students spanning four time points over a 2-year period as they transitioned from primary to boarding school in Western Australia (i.e., at the end of Grade 7, beginning of Grade 8, end of Grade 8, and end of…

Cyclotron transitions of bound ions

NASA Astrophysics Data System (ADS)

Bezchastnov, Victor G.; Pavlov, George G.

2017-06-01

A charged particle in a magnetic field possesses discrete energy levels associated with particle rotation around the field lines. The radiative transitions between these levels are the well-known cyclotron transitions. We show that a bound complex of particles with a nonzero net charge displays analogous transitions between the states of confined motion of the entire complex in the field. The latter bound-ion cyclotron transitions are affected by a coupling between the collective and internal motions of the complex and, as a result, differ from the transitions of a "reference" bare ion with the same mass and charge. We analyze the cyclotron transitions for complex ions by including the coupling within a rigorous quantum approach. Particular attention is paid to comparison of the transition energies and oscillator strengths to those of the bare ion. Selection rules based on integrals of collective motion are derived for the bound-ion cyclotron transitions analytically, and the perturbation and coupled-channel approaches are developed to study the transitions quantitatively. Representative examples are considered and discussed for positive and negative atomic and cluster ions.

Transition from amplitude to oscillation death in a network of oscillators

NASA Astrophysics Data System (ADS)

Nandan, Mauparna; Hens, C. R.; Pal, Pinaki; Dana, Syamal K.

2014-12-01

We report a transition from a homogeneous steady state (HSS) to inhomogeneous steady states (IHSSs) in a network of globally coupled identical oscillators. We perturb a synchronized population of oscillators in the network with a few local negative or repulsive mean field links. The whole population splits into two clusters for a certain number of repulsive mean field links and a range of coupling strength. For further increase of the strength of interaction, these clusters collapse into a HSS followed by a transition to IHSSs where all the oscillators populate either of the two stable steady states. We analytically determine the origin of HSS and its transition to IHSS in relation to the number of repulsive mean-field links and the strength of interaction using a reductionism approach to the model network. We verify the results with numerical examples of the paradigmatic Landau-Stuart limit cycle system and the chaotic Rössler oscillator as dynamical nodes. During the transition from HSS to IHSSs, the network follows the Turing type symmetry breaking pitchfork or transcritical bifurcation depending upon the system dynamics.

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.

ASD Transition to Mainstream Secondary: A Positive Experience?

ERIC Educational Resources Information Center

Neal, Sinead; Frederickson, Norah

2016-01-01

The transition to secondary school is considered difficult for children with autistic spectrum disorder (ASD), yet there has been little strength-based investigation of positive experiences of this population and the types of support they value most in managing anxiety about transition. The current article presents a qualitative exploration of the…

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.

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.

First-principles comparative study on the interlayer adhesion and shear strength of transition-metal dichalcogenides and graphene

NASA Astrophysics Data System (ADS)

Levita, Giacomo; Molinari, Elisa; Polcar, Tomas; Righi, Maria Clelia

2015-08-01

Due to their layered structure, graphene and transition-metal dichalcogenides (TMDs) are easily sheared along the basal planes. Despite a growing attention towards their use as solid lubricants, so far no head-to-head comparison has been carried out. By means of ab initio modeling of a bilayer sliding motion, we show that graphene is characterized by a shallower potential energy landscape while more similarities are attained when considering the sliding forces; we propose that the calculated interfacial ideal shear strengths afford the most accurate information on the intrinsic sliding capability of layered materials. We also investigate the effect of an applied uniaxial load: in graphene, this introduces a limited increase in the sliding barrier while in TMDs it has a substantially different impact on the possible polytypes. The polytype presenting a parallel orientation of the layers (R 0 ) bears more similarities to graphene while that with antiparallel orientation (R 180 ) shows deep changes in the potential energy landscape and consequently a sharper increase of its sliding barrier.

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.

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

Characterization of the porosity of human dental enamel and shear bond strength in vitro after variable etch times: initial findings using the BET method.

PubMed

Nguyen, Trang T; Miller, Arthur; Orellana, Maria F

2011-07-01

(1) To quantitatively characterize human enamel porosity and surface area in vitro before and after etching for variable etching times; and (2) to evaluate shear bond strength after variable etching times. Specifically, our goal was to identify the presence of any correlation between enamel porosity and shear bond strength. Pore surface area, pore volume, and pore size of enamel from extracted human teeth were analyzed by Brunauer-Emmett-Teller (BET) gas adsorption before and after etching for 15, 30, and 60 seconds with 37% phosphoric acid. Orthodontic brackets were bonded with Transbond to the samples with variable etch times and were subsequently applied to a single-plane lap shear testing system. Pore volume and surface area increased after etching for 15 and 30 seconds. At 60 seconds, this increase was less pronounced. On the contrary, pore size appears to decrease after etching. No correlation was found between variable etching times and shear strength. Samples etched for 15, 30, and 60 seconds all demonstrated clinically viable shear strength values. The BET adsorption method could be a valuable tool in enhancing our understanding of enamel characteristics. Our findings indicate that distinct quantitative changes in enamel pore architecture are evident after etching. Further testing with a larger sample size would have to be carried out for more definitive conclusions to be made.

Excitation rates for transitions in Kr XXXII

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Keenan, F. P.; Lawson, K. D.

2009-04-01

In this paper we report our results for collision strengths and effective collision strengths for transitions among the lowest 125 levels of the 2s22p, 2s2p2, 2p3, 2s23ell, 2s2p3ell, and 2p23ell configurations of Kr XXXII. For our calculations both the FAC and DARC codes have been employed.

Non-equilibrium quantum phase transition via entanglement decoherence dynamics

PubMed Central

Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min

2016-01-01

We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained. PMID:27713556

Image Charge and Electric Field Effects on Hydrogen-like Impurity-bound Polaron Energies and Oscillator Strengths in a Quantum Dot

NASA Astrophysics Data System (ADS)

Vardanyan, L. A.; Vartanian, A. L.; Asatryan, A. L.; Kirakosyan, A. A.

2016-11-01

By using Landau-Pekar variational method, the ground and the first excited state energies and the transition frequencies between the ground and the first excited states of a hydrogen-like impurity-bound polaron in a spherical quantum dot (QD) have been studied by taking into account the image charge effect (ICE). We employ the dielectric continuum model to describe the phonon confinement effects. The oscillator strengths (OSs) of transitions from the 1 s-like state to excited states of 2 s, 2 p x , and 2 p z symmetries are calculated as functions of the applied electric field and strength of the confinement potential. We have shown that with and without image charge effect, the increase of the strength of the parabolic confinement potential leads to the increase of the oscillator strengths of 1 s - 2 p x and 1 s - 2 p z transitions. This indicates that the energy differences between 1 s- and 2 p x - as well as 1 s- and 2 p z -like states have a dominant role determining the oscillator strength. Although there is almost no difference in the oscillator strengths for transitions 1 s - 2 p x and 1 s -2 p z when the image charge effect is not taken into account, it becomes significant with the image charge effect.

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.

Transition from amplitude to oscillation death in a network of oscillators

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

Nandan, Mauparna; Department of Mathematics, National Institute of Technology, Durgapur 713209; Hens, C. R.

2014-12-01

We report a transition from a homogeneous steady state (HSS) to inhomogeneous steady states (IHSSs) in a network of globally coupled identical oscillators. We perturb a synchronized population of oscillators in the network with a few local negative or repulsive mean field links. The whole population splits into two clusters for a certain number of repulsive mean field links and a range of coupling strength. For further increase of the strength of interaction, these clusters collapse into a HSS followed by a transition to IHSSs where all the oscillators populate either of the two stable steady states. We analytically determinemore » the origin of HSS and its transition to IHSS in relation to the number of repulsive mean-field links and the strength of interaction using a reductionism approach to the model network. We verify the results with numerical examples of the paradigmatic Landau-Stuart limit cycle system and the chaotic Rössler oscillator as dynamical nodes. During the transition from HSS to IHSSs, the network follows the Turing type symmetry breaking pitchfork or transcritical bifurcation depending upon the system dynamics.« less

34 CFR 300.43 - Transition services.

Code of Federal Regulations, 2010 CFR

2010-07-01

..., including postsecondary education, vocational education, integrated employment (including supported...; (2) Is based on the individual child's needs, taking into account the child's strengths, preferences..., acquisition of daily living skills and provision of a functional vocational evaluation. (b) Transition...

Aging transition in systems of oscillators with global distributed-delay coupling.

PubMed

Rahman, B; Blyuss, K B; Kyrychko, Y N

2017-09-01

We consider a globally coupled network of active (oscillatory) and inactive (nonoscillatory) oscillators with distributed-delay coupling. Conditions for aging transition, associated with suppression of oscillations, are derived for uniform and gamma delay distributions in terms of coupling parameters and the proportion of inactive oscillators. The results suggest that for the uniform distribution increasing the width of distribution for the same mean delay allows aging transition to happen for a smaller coupling strength and a smaller proportion of inactive elements. For gamma distribution with sufficiently large mean time delay, it may be possible to achieve aging transition for an arbitrary proportion of inactive oscillators, as long as the coupling strength lies in a certain range.

Some Effects of Leading-Edge Sweep on Boundary-Layer Transition at Supersonic Speeds

NASA Technical Reports Server (NTRS)

Chapman, Gray T.

1961-01-01

The effects of crossflow and shock strength on transition of the laminar boundary layer behind a swept leading edge have been investigated analytically and with the aid of available experimental data. An approximate method of determining the crossflow Reynolds number on a leading edge of circular cross section at supersonic speeds is presented. The applicability of the critical crossflow criterion described by Owen and Randall for transition on swept wings in subsonic flow was examined for the case of supersonic flow over swept circular cylinders. A wide range of applicability of the subsonic critical values is indicated. The corresponding magnitude of crossflow velocity necessary to cause instability on the surface of a swept wing at supersonic speeds was also calculated and found to be small. The effects of shock strength on transition caused by Tollmien-Schlichting type of instability are discussed briefly. Changes in local Reynolds number, due to shock strength, were found analytically to have considerably more effect on transition caused by Tollmien-Schlichting instability than on transition caused by crossflow instability. Changes in the mechanism controlling transition from Tollmien-Schlichting instability to crossflow instability were found to be possible as a wing is swept back and to result in large reductions in the length of laminar flow.

Mixed valence transition metal 2D-oxides: Comparison between delafossite and crednerite compounds

NASA Astrophysics Data System (ADS)

Martin, Christine; Poienar, Maria

2017-08-01

Transition metal oxides offer large opportunities to study relationships between structures and properties. Indeed these compounds crystallize in numerous frameworks corresponding to different dimensionalities and, accordingly, show a huge variety of properties (as high Tc superconductivity, colossal magnetoresistivity, multiferroicity..). The control of the oxidation state of the transition metal, via the monitoring of the oxygen content, is of prime importance to understand and optimize the properties, due to the strong coupling that exists between the lattice and the charges and spins of the transition metals. In this large playground for chemists, we reinvestigated several 2D-compounds derived from delafossite structure. Considering this paper as a very short review, we report here the results obtained on CuMO2 compounds (with M = Cr, Mn or Mn+Cu) by using a combination of techniques, as X-ray, neutrons and/or electrons diffraction on poly-crystals for structural characterisations that are correlated with electrical and/or magnetic properties. The complementarity of studies is also addressed by the synthesis and characterization of single crystals in addition to poly-crystals. Moreover the comparison of the structures of similar Cr and Mn based oxides highlights the crucial role of the Jahn-Teller effect of trivalent manganese to lift the degeneracy, which is responsible of the magnetic frustration in CuCrO2.

Direct and real time probe of photoinduced structure transition in colossal magnetoresistive material

DOE PAGES

Li, Junjie; Wang, Xuan; Zhou, Haidong; ...

2016-07-29

Here, we report a direct and real time measurement of photoinduced structure phase transition in single crystal La 0.84Sr 0.16MnO 3 using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. Furthermore, the fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion followingmore » the photo-excitation. We attribute the slow process to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites.« less

Superradiant phase transitions with three-level systems

NASA Astrophysics Data System (ADS)

Baksic, Alexandre; Nataf, Pierre; Ciuti, Cristiano

2013-02-01

We determine the phase diagram of N identical three-level systems interacting with a single photonic mode in the thermodynamical limit (N→∞) by accounting for the so-called diamagnetic term and the inequalities imposed by the Thomas-Reich-Kuhn (TRK) oscillator strength sum rule. The key role of transitions between excited levels and the occurrence of first-order phase transitions is discussed. We show that, in contrast to two-level systems, in the three-level case the TRK inequalities do not always prevent a superradiant phase transition in the presence of a diamagnetic term.

Systematics of strength function sum rules

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

Johnson, Calvin W.

2015-08-28

Sum rules provide useful insights into transition strength functions and are often expressed as expectation values of an operator. In this letter I demonstrate that non-energy-weighted transition sum rules have strong secular dependences on the energy of the initial state. Such non-trivial systematics have consequences: the simplification suggested by the generalized Brink–Axel hypothesis, for example, does not hold for most cases, though it weakly holds in at least some cases for electric dipole transitions. Furthermore, I show the systematics can be understood through spectral distribution theory, calculated via traces of operators and of products of operators. Seen through this lens,more » violation of the generalized Brink–Axel hypothesis is unsurprising: one expectssum rules to evolve with excitation energy. Moreover, to lowest order the slope of the secular evolution can be traced to a component of the Hamiltonian being positive (repulsive) or negative (attractive).« less

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.

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.

Precision Measurements of the B(E1) Strengths in 11Be

NASA Astrophysics Data System (ADS)

Kwan, E.; Wu, C. Y.; Summers, N. C.; Hackman, G.; Drake, T. E.; Andreoiu, C.; Ashley, R.; Ball, G. C.; Bender, P. C.; Boston, A. J.; Boston, H. C.; Chester, A.; Close, A.; Cline, D.; Cross, D. S.; Dunlop, R.; Finley, A.; Garnsworthy, A.; Hayes, A. B.; Laffoley, A. T.; Nano, T.; Navrátil, P.; Pearson, C. J.; Pore, J.; Starosta, K.; Thompson, I. J.; Voss, P.; Williams, S. J.; Wang, Z. M.

2014-09-01

The electromagnetic transition strength between the two bound states were measured in the one-neutron halo nucleus 11Be from Coulomb excitation on 196Pt at projectile energies of 1.727 and 2.086 MeV/nucleon at TRIUMF. A B(E1) strength of 0.102(2) e2fm2, deduced from the forward-scattering data, is consistent with previous Coulomb excitation measurements at intermediate projectile energies with a model-dependent analysis.

Structural phase transition, Néel temperature enhancement, and persistent magneto-dielectric coupling in Cr-substituted Mn3O4

NASA Astrophysics Data System (ADS)

Dwivedi, G. D.; Kumar, Abhishek; Yang, K. S.; Chen, B. Y.; Liu, K. W.; Chatterjee, Sandip; Yang, H. D.; Chou, H.

2016-05-01

Structural phase transition and Néel temperature (TN) enhancement were observed in Cr-substituted Mn3O4 spinels. Structural, magnetic, and dielectric properties of (Mn1-xCrx)3O4 (where x = 0.00, 0.10, 0.20, 0.25, 0.30, 0.40, and 0.50) were investigated. Cr-substitution induces room temperature structural phase transition from tetragonally distorted I41/amd (x = 0.00) to cubic Fd 3 ¯ m (x = 0.50). TN is found to increase from 43 K (x = 0.00) to 58 K (x = 0.50) with Cr-substitution. The spin ordering-induced dielectric anomaly near TN ensures that magneto-dielectric coupling persists in the cubic x = 0.50 system. X-ray absorption spectra reveal that Cr exists in a trivalent oxidation state and prefers the octahedral (Oh)-site, replacing Mn3+. Due to a reduction in the Jahn-Teller active Mn3+ cation and an increase in the smaller Cr3+ cation, the system begins to release the geometrical frustration by lowering its degeneracy. Consequently, a phase transition, from distorted tetragonal structure to the more symmetric cubic phase, occurs.

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

Mcdonald, Ross David

The alkali-doped fullerides provide the first example of a transition from a three-dimensional Mott insulator to a superconductor, enabling the effects of both dimensionality and electron correlation on superconductivity to be explored. Chemically the alkali species tunes the superconductivity in the vicinity of the the Mott transition via sample volume. Measuring the relationship between the superconducting transition temperature and upper critical field reveals a crossover from weak- to strong-coupling associated with the dynamical Jahn–Teller effect as the Mott transition is approached. The use of pulsed magnets is required because the upper critical field is enhanced in the vicinity of themore » Mott insulating phase, reaching 90 T for RbxCs3-xC60 — the highest among cubic crystals. This required close collaboration between Prof Kasahara’s group and the Mag Lab to design rf-measurements compatible with sample encapsulation in an inert atmosphere. The concomitant increase of pairing strength with lattice volume near the Mott transition suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity (with high-T C and high-H C2).« less

Quadrupole decay strength of the M1 scissors mode

NASA Astrophysics Data System (ADS)

Beck, T.; Beller, J.; Derya, V.; Gayer, U.; Isaak, J.; Löher, B.; Mertes, L.; Pietralla, N.; Ries, P.; Romig, C.; Savran, D.; Scheck, M.; Tornow, W.; Weller, H. R.; Werner, V.; Zweidinger, M.

2015-10-01

The E2/M1 multipole mixing ratio δ1→2 of the 1sc +→21+ transition of Gd was determined using results from high-statistics photon scattering. This provides a possibility for a new approach on the search of Jsc + members of the rotational band built on the scissors mode. By application of Alaga's rule, which is justifiable as 156Gd is a well-deformed rotor with good K quantum number, a transition strength of B (E 2 ;2sc +→01+)=0.034 (13 ) W.u. is estimated.

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.

Transition Assessment and Planning for Youth with Severe Intellectual and Developmental Disabilities

ERIC Educational Resources Information Center

Carter, Erik W.; Brock, Matthew E.; Trainor, Audrey A.

2014-01-01

Although federal law now mandates age-appropriate transition assessment as a key component of high-quality transition planning, little research exists to guide educators on what they might learn when undertaking this process. In this study, the authors examined teacher and parent assessments of the transition-related strengths and needs of 134…

Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer

NASA Astrophysics Data System (ADS)

Huang, Chengxi; Du, Yongping; Wu, Haiping; Xiang, Hongjun; Deng, Kaiming; Kan, Erjun

2018-04-01

The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multistate data storage. Although multiferroics have been broadly studied for decades, ferromagnetic ferroelectricity is rarely explored, especially in two-dimensional (2D) systems. Here we report the discovery of 2D ferromagnetic ferroelectricity in layered transition-metal halide systems. On the basis of first-principles calculations, we reveal that a charged CrBr3 monolayer exhibits in-plane multiferroicity, which is ensured by the combination of orbital and charge ordering as realized by the asymmetric Jahn-Teller distortions of octahedral Cr - Br6 units. As an example, we further show that (CrBr3)2Li is a ferromagnetic ferroelectric multiferroic. The explored phenomena and mechanism of multiferroics in this 2D system not only are useful for fundamental research in multiferroics but also enable a wide range of applications in nanodevices.

Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer.

PubMed

Huang, Chengxi; Du, Yongping; Wu, Haiping; Xiang, Hongjun; Deng, Kaiming; Kan, Erjun

2018-04-06

The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multistate data storage. Although multiferroics have been broadly studied for decades, ferromagnetic ferroelectricity is rarely explored, especially in two-dimensional (2D) systems. Here we report the discovery of 2D ferromagnetic ferroelectricity in layered transition-metal halide systems. On the basis of first-principles calculations, we reveal that a charged CrBr_{3} monolayer exhibits in-plane multiferroicity, which is ensured by the combination of orbital and charge ordering as realized by the asymmetric Jahn-Teller distortions of octahedral Cr─Br_{6} units. As an example, we further show that (CrBr_{3})_{2}Li is a ferromagnetic ferroelectric multiferroic. The explored phenomena and mechanism of multiferroics in this 2D system not only are useful for fundamental research in multiferroics but also enable a wide range of applications in nanodevices.

Burst synchronization transitions in a neuronal network of subnetworks

NASA Astrophysics Data System (ADS)

Sun, Xiaojuan; Lei, Jinzhi; Perc, Matjaž; Kurths, Jürgen; Chen, Guanrong

2011-03-01

In this paper, the transitions of burst synchronization are explored in a neuronal network consisting of subnetworks. The studied network is composed of electrically coupled bursting Hindmarsh-Rose neurons. Numerical results show that two types of burst synchronization transitions can be induced not only by the variations of intra- and intercoupling strengths but also by changing the probability of random links between different subnetworks and the number of subnetworks. Furthermore, we find that the underlying mechanisms for these two bursting synchronization transitions are different: one is due to the change of spike numbers per burst, while the other is caused by the change of the bursting type. Considering that changes in the coupling strengths and neuronal connections are closely interlaced with brain plasticity, the presented results could have important implications for the role of the brain plasticity in some functional behavior that are associated with synchronization.

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

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

Signatures for a nuclear quantum phase transition from E 0 and E 2 observables in Gd isotopes

NASA Astrophysics Data System (ADS)

Wiederhold, J.; Kern, R.; Lizarazo, C.; Pietralla, N.; Werner, V.; Jolos, R. V.; Bucurescu, D.; Florea, N.; Ghita, D.; Glodariu, T.; Lica, R.; Marginean, N.; Marginean, R.; Mihai, C.; Mihai, R.; Mitu, I. O.; Negret, A.; Nita, C.; Olacel, A.; Pascu, S.; Stroe, L.; Toma, S.; Turturica, A.

2018-05-01

Nuclei are complex quantum objects due to complex nucleon-nucleon interactions. They can undergo rather rapid changes in structure as a function of nucleon number. A well known region of such a shape transition is the rare-earth region around N = 90, where accessible nuclei range from spherical nuclei at the closed neutron shell at N = 82 to deformed nuclei. For a better understanding of this phenomenon, it is of interest to study empirical signatures like the E2 transition strength B(E2;{2}1+\\to {0}1+) or the E0 excitation strength {ρ }2(E0;{0}1+\\to {0}2+). The nuclide 152Gd with 88 neutrons is located close to the quantum phase transition at N = 90. The lifetime τ ({0}2+) of 152Gd has been measured using fast electronic scintillation timing (FEST) with an array of HPGe- and LaBr3- detectors. Excited states of 152Gd were populated via an (α,n)-reaction on a gold-backed 149Sm target. The measured lifetime of τ ({0}2+)=96(6)\\text{ps} corresponds to a reduced transition strength of B(E2;{0}2+\\to {2}1+)=111(7) W.u. and an E0 transition strength of ρ 2(E0) = 39(3) · 10‑3 to the ground state. This result provides experimental support for the validity of a correlation between E0 and E2 strengths that is a novel indicator for a quantum phase transition. This work was published as J. Wiederhold et al., Phys. Rev. C 94, 044302 (2016).

Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

NASA Astrophysics Data System (ADS)

Aggarwal, Sunny; Singh, J.; Jha, A. K. S.; Mohan, Man

2014-07-01

Fine-structure energies of the 67 levels belonging to the 1s2, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

Vlasov Simulation Study of Landau Damping Near the Persisting to Arrested Transition

NASA Astrophysics Data System (ADS)

Vinas, A. F.; Klimas, A. J.; Araneda, J. A.

2017-12-01

A 1-D electrostatic filtered Vlasov-Poisson simulation study is discussed. The transition from persisting to arrested Landau damping that is produced by increasing the strength of a sinusoidal perturbation on a background Vlasov-Poisson equilibrium is explored. Emphasis is placed on observed features of the electron phase-space distribution when the perturbation strength is near the transition value. A single ubiquitous waveform is found perturbing the space-averaged phase space distribution at almost any time in all of the simulations; the sole exception is the saturation stage that can occur at the end of the arrested damping scenario. This waveform contains relatively strong, very narrow structures in velocity bracketing ±vres - the velocities at which electrons must move to traverse the dominant field mode wavelength in one of its oscillation periods - and propagating with ±vres respectively. Local streams of electrons are found in these structures crossing the resonant velocities from low speed to high speed during Landau damping and from high speed to low speed during Landau growth. At the arrest time, when the field strength is briefly constant, these streams vanish. It is conjectured that the expected transfer of energy between electrons and field during Landau growth or damping has been visualized for the first time. No evidence is found in the phase-space distribution to support recent well established discoveries of a second order phase transition in the electric field evolution. While trapping is known to play a role for larger perturbation strengths, it is shown that trapping plays no role at any time in any of the simulations near the transition perturbation strength.

Non-resonant collider signatures of a singlet-driven electroweak phase transition

NASA Astrophysics Data System (ADS)

Chen, Chien-Yi; Kozaczuk, Jonathan; Lewis, Ian M.

2017-08-01

We analyze the collider signatures of the real singlet extension of the Standard Model in regions consistent with a strong first-order electroweak phase transition and a singlet-like scalar heavier than the Standard Model-like Higgs. A definitive correlation exists between the strength of the phase transition and the trilinear coupling of the Higgs to two singlet-like scalars, and hence between the phase transition and non-resonant scalar pair production involving the singlet at colliders. We study the prospects for observing these processes at the LHC and a future 100 TeV pp collider, focusing particularly on double singlet production. We also discuss correlations between the strength of the electroweak phase transition and other observables at hadron and future lepton colliders. Searches for non-resonant singlet-like scalar pair production at 100 TeV would provide a sensitive probe of the electroweak phase transition in this model, complementing resonant di-Higgs searches and precision measurements. Our study illustrates a strategy for systematically exploring the phenomenologically viable parameter space of this model, which we hope will be useful for future work.

Articular Cartilage Increases Transition Zone Regeneration in Bone-tendon Junction Healing

PubMed Central

Qin, Ling; Lee, Kwong Man; Leung, Kwok Sui

2008-01-01

The fibrocartilage transition zone in the direct bone-tendon junction reduces stress concentration and protects the junction from failure. Unfortunately, bone-tendon junctions often heal without fibrocartilage transition zone regeneration. We hypothesized articular cartilage grafts could increase fibrocartilage transition zone regeneration. Using a goat partial patellectomy repair model, autologous articular cartilage was harvested from the excised distal third patella and interposed between the residual proximal two-thirds bone fragment and tendon during repair in 36 knees. We evaluated fibrocartilage transition zone regeneration, bone formation, and mechanical strength after repair at 6, 12, and 24 weeks and compared them with direct repair. Autologous articular cartilage interposition resulted in more fibrocartilage transition zone regeneration (69.10% ± 14.11% [mean ± standard deviation] versus 8.67% ± 7.01% at 24 weeks) than direct repair at all times. There was no difference in the amount of bone formation and mechanical strength achieved. Autologous articular cartilage interposition increases fibrocartilage transition zone regeneration in bone-tendon junction healing, but additional research is required to ascertain the mechanism of stimulation and to establish the clinical applicability. PMID:18987921

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

Strength functions, entropies, and duality in weakly to strongly interacting fermionic systems.

PubMed

Angom, D; Ghosh, S; Kota, V K B

2004-01-01

We revisit statistical wave function properties of finite systems of interacting fermions in the light of strength functions and their participation ratio and information entropy. For weakly interacting fermions in a mean-field with random two-body interactions of increasing strength lambda, the strength functions F(k) (E) are well known to change, in the regime where level fluctuations follow Wigner's surmise, from Breit-Wigner to Gaussian form. We propose an ansatz for the function describing this transition which we use to investigate the participation ratio xi(2) and the information entropy S(info) during this crossover, thereby extending the known behavior valid in the Gaussian domain into much of the Breit-Wigner domain. Our method also allows us to derive the scaling law lambda(d) approximately 1/sqrt[m] ( m is number of fermions) for the duality point lambda= lambda(d), where F(k) (E), xi(2), and S(info) in both the weak ( lambda=0 ) and strong mixing ( lambda= infinity ) basis coincide. As an application, the ansatz function for strength functions is used in describing the Breit-Wigner to Gaussian transition seen in neutral atoms CeI to SmI with valence electrons changing from 4 to 8.

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%.

Exoplanet Transits of Stellar Active Regions

NASA Astrophysics Data System (ADS)

Giampapa, Mark S.; Andretta, Vincenzo; Covino, Elvira; Reiners, Ansgar; Esposito, Massimiliano

2018-01-01

We report preliminary results of a program to obtain high spectral- and temporal-resolution observations of the neutral helium triplet line at 1083.0 nm in transiting exoplanet systems. The principal objective of our program is to gain insight on the properties of active regions, analogous to solar plages, on late-type dwarfs by essentially using exoplanet transits as high spatial resolution probes of the stellar surface within the transit chord. The 1083 nm helium line is a particularly appropriate diagnostic of magnetized areas since it is weak in the quiet photosphere of solar-type stars but appears strongly in absorption in active regions. Therefore, during an exoplanet transit over the stellar surface, variations in its absorption equivalent width can arise that are functions of the intrinsic strength of the feature in the active region and the known relative size of the exoplanet. We utilized the Galileo Telescope and the GIANO-B near-IR echelle spectrograph to obtain 1083 nm spectra during transits in bright, well-known systems that include HD 189733, HD 209458, and HD 147506 (HAT-P-2). We also obtained simultaneous auxiliary data on the same telescope with the HARPS-N UV-Visible echelle spectrograph. We will present preliminary results from our analysis of the observed variability of the strength of the He I 1083 nm line during transits.Acknowledgements: Based on observations made with the Italian Telescopio Nazionale Galileo (TNG) operated on the island of La Palma by the Fundación Galileo Galilei of the INAF (Istituto Nazionale di Astrofisica) at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias. The NSO is operated by AURA under a cooperative agreement with the NSF.

Thouless energy and multifractality across the many-body localization transition

NASA Astrophysics Data System (ADS)

Serbyn, Maksym; Papić, Z.; Abanin, Dmitry A.

2017-09-01

Thermal and many-body localized phases are separated by a dynamical phase transition of a new kind. We analyze the distribution of off-diagonal matrix elements of local operators across this transition in two different models of disordered spin chains. We show that the behavior of matrix elements can be used to characterize the breakdown of thermalization and to extract the many-body Thouless energy. We find that upon increasing the disorder strength the system enters a critical region around the many-body localization transition. The properties of the system in this region are: (i) the Thouless energy becomes smaller than the level spacing, (ii) the matrix elements show critical dependence on the energy difference, and (iii) the matrix elements, viewed as amplitudes of a fictitious wave function, exhibit strong multifractality. This critical region decreases with the system size, which we interpret as evidence for a diverging correlation length at the many-body localization transition. Our findings show that the correlation length becomes larger than the accessible system sizes in a broad range of disorder strength values and shed light on the critical behavior near the many-body localization transition.

Transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto model

NASA Astrophysics Data System (ADS)

Kundu, Prosenjit; Khanra, Pitambar; Hens, Chittaranjan; Pal, Pinaki

2017-11-01

We investigate transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto (SK) model on complex networks both analytically and numerically. We analytically derive self-consistent equations for group angular velocity and order parameter for the model in the thermodynamic limit. Using the self-consistent equations we investigate transition to synchronization in SK model on uncorrelated scale-free (SF) and Erdős-Rényi (ER) networks in detail. Depending on the degree distribution exponent (γ ) of SF networks and phase-frustration parameter, the population undergoes from first-order transition [explosive synchronization (ES)] to second-order transition and vice versa. In ER networks transition is always second order irrespective of the values of the phase-lag parameter. We observe that the critical coupling strength for the onset of synchronization is decreased by phase-frustration parameter in case of SF network where as in ER network, the phase-frustration delays the onset of synchronization. Extensive numerical simulations using SF and ER networks are performed to validate the analytical results. An analytical expression of critical coupling strength for the onset of synchronization is also derived from the self-consistent equations considering the vanishing order parameter limit.

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.

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.

Transgender community belongingness as a mediator between strength of transgender identity and well-being.

PubMed

Barr, Sebastian M; Budge, Stephanie L; Adelson, Jill L

2016-01-01

This study examined transgender community belongingness as a mediator between strength of transgender identity and well-being. A total of 571 transgender adults (n = 209 transgender women, n = 217 transgender men, and n = 145 nonbinary-identified individuals) completed an online survey assessing transgender community belongingness, strength of transgender identity (operationalized as the extent to which a person self-categorizes their identity as transgender and the extent to which they believe their gender transition to be important to their self-definition), and well-being (using measures of self-esteem, satisfaction with life, and psychological well-being). Structural equation modeling was used to analyze the data. When controlling for participants' income, age, and stage of gender transition, transgender community belongingness fully mediated the relationship between strength of transgender identity and well-being. Strength of transgender identity was indirectly and positively related to well-being through community belongingness, but was not directly related to well-being. Results suggest that transgender community belongingness is an important construct in the mental health of transgender people. The strength of a person's transgender identity also appears to be a significant construct in transgender people's well-being via its relationship with transgender community belongingness. Implications of the findings are discussed. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Youth and administrator perspectives on transition in Kentucky's state agency schools.

PubMed

Marshall, Amy; Powell, Norman; Pierce, Doris; Nolan, Ronnie; Fehringer, Elaine

2012-01-01

Students, a large percentage with disabilities, are at high risk for poor post-secondary outcomes in state agency education programs. This mixed-methods study describes the understandings of student transitions in state agency education programs from the perspectives of youth and administrators. Results indicated that: transition is more narrowly defined within alternative education programs; key strengths of transition practice are present in nontraditional schools; and the coordination barriers within this fluid inter-agency transition system are most apparent in students' frequent inter-setting transitions between nontraditional and home schools.

Alloy and composition dependence of hydrogen embrittlement susceptibility in high-strength steel fasteners

NASA Astrophysics Data System (ADS)

Brahimi, S. V.; Yue, S.; Sriraman, K. R.

2017-06-01

High-strength steel fasteners characterized by tensile strengths above 1100 MPa are often used in critical applications where a failure can have catastrophic consequences. Preventing hydrogen embrittlement (HE) failure is a fundamental concern implicating the entire fastener supply chain. Research is typically conducted under idealized conditions that cannot be translated into know-how prescribed in fastener industry standards and practices. Additionally, inconsistencies and even contradictions in fastener industry standards have led to much confusion and many preventable or misdiagnosed fastener failures. HE susceptibility is a function of the material condition, which is comprehensively described by the metallurgical and mechanical properties. Material strength has a first-order effect on HE susceptibility, which increases significantly above 1200 MPa and is characterized by a ductile-brittle transition. For a given concentration of hydrogen and at equal strength, the critical strength above which the ductile-brittle transition begins can vary due to second-order effects of chemistry, tempering temperature and sub-microstructure. Additionally, non-homogeneity of the metallurgical structure resulting from poorly controlled heat treatment, impurities and non-metallic inclusions can increase HE susceptibility of steel in ways that are measurable but unpredictable. Below 1200 MPa, non-conforming quality is often the root cause of real-life failures. This article is part of the themed issue 'The challenges of hydrogen and metals'.

High-pressure phase transitions of Fe 3-xTi xO 4 solid solution up to 60 GPa correlated with electronic spin transition

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

Yamanaka, Takamitsu; Kyono, Atsushi; Nakamoto, Yuki

2013-06-12

The structural phase transition of the titanomagnetite (Fe 3–xTi xO 4) solid solution under pressures up to 60 GPa has been clarified by single-crystal and powder diffraction studies using synchrotron radiation and a diamond-anvil cell. Present Rietveld structure refinements of the solid solution prove that the prefered cation distribution is based on the crystal field preference rather than the magnetic spin ordering in the solid solution. The Ti-rich phases in 0.734 ≤ x ≤1.0 undergo a phase transformation from the cubic spinel of Fd3m to the tetragonal spinel structure of I4 1/amd with c/a < 1.0. The transition is drivenmore » by a Jahn-Teller effect of IVFe 2+ (3d 6) on the tetrahedral site. The c/a < 1 ratio is induced by lifting of the degeneracy of the e orbitals by raising the d x2-y2 orbital below the energy of the d z2 orbital. The distortion characterized by c/a < 1 is more pronounced with increasing Ti content in the Fe 3–xTi xO 4 solid solutions and with increasing pressure. An X-ray emission experiment of Fe 2TiO 4 at high pressures confirms the spin transition of FeKβ from high spin to intermediate spin (IS) state. The high spin (HS)-to-low spin (LS) transition starts at 14 GPa and the IS state gradually increases with compression. The VIFe 2+ in the octahedral site is more prone for the HS-to-LS transition, compared with Fe 2+ in the fourfold- or eightfold-coordinated site. The transition to the orthorhombic post-spinel structure with space group Cmcm has been confirmed in the whole compositional range of Fe 3–xTi xO 4. The transition pressure decreases from 25 GPa (x = 0.0) to 15 GPa (x = 1.0) with increasing Ti content. There are two cation sites in the orthorhombic phase: M1 and M2 sites of eightfold and sixfold coordination, respectively. Fe 2+ and Ti 4+ are disordered on the M2 site. This structural change is accelerated at higher pressures due to the spin transition of Fe 2+ in the octahedral site. This is because the ionic radius

Renormalization of optical transition strengths in semiconductor nanoparticles due to band mixing

DOE PAGES

Velizhanin, Kirill A.

2016-05-25

We report that unique optical properties of semiconductor nanoparticles (SN) make them very promising in the multitude of applications including lasing, light emission and photovoltaics. In many of these applications it is imperative to understand the physics of interaction of electrons in a SN with external electromagnetic fields on the quantitative level. In particular, the strength of electron–photon coupling determines such important SN parameters as the radiative lifetime and absorption cross section. This strength is often assumed to be fully encoded by the so called Kane momentum matrix element. This parameter, however, pertains to a bulk semiconductor material and, asmore » such, is not sensitive to the quantum confinement effects in SNs. In this work we demonstrate that the quantum confinement, via the so called band mixing, can result in a significant suppression of the strength of electron interaction with electromagnetic field. Within the envelope function formalism we show how this suppression can be described by introducing an effective energy-dependent Kane momentum. Then, the effect of band mixing on the efficiencies of various photoinduced processes can be fully captured by the conventional formulae (e.g., spontaneous emission rate), once the conventional Kane momentum is substituted with the renormalized energy-dependent Kane momentum introduced in here. Lastly, as an example, we evaluate the energy-dependent Kane momentum for spherical PbSe and PbS SNs (i.e., quantum dots) and show that neglecting band mixing in these systems can result in the overestimation of absorption cross sections and emission rates by a factor of ~2.« less

Coupled Electronic and Magnetic Phase Transition in the Infinite-Layer Phase LaSrNiRuO4.

PubMed

Patino, Midori Amano; Zeng, Dihao; Bower, Ryan; McGrady, John E; Hayward, Michael A

2016-09-06

Topochemical reduction of the ordered double perovskite LaSrNiRuO6 with CaH2 yields LaSrNiRuO4, an extended oxide phase containing infinite sheets of apex-linked, square-planar Ni(1+)O4 and Ru(2+)O4 units ordered in a checkerboard arrangement. At room temperature the localized Ni(1+) (d(9), S = (1)/2) and Ru(2+) (d(6), S = 1) centers behave paramagnetically. However, on cooling below 250 K the system undergoes a cooperative phase transition in which the nickel spins align ferromagnetically, while the ruthenium cations appear to undergo a change in spin configuration to a diamagnetic spin state. Features of the low-temperature crystal structure suggest a symmetry lowering Jahn-Teller distortion could be responsible for the observed diamagnetism of the ruthenium centers.

Valence-bond theory of compounds of transition metals

PubMed Central

Pauling, Linus

1975-01-01

An equation relating the strength (bondforming power) of an spd hybrid bond orbital to the angles it makes with other bond orbitals is formulated and applied in the discussion of the structures of transition-metal carbonyls and other substances by the valence-bond method. The rather simple theory gives results that agree well with those obtained by the complicated and laborious calculation of sets of orthogonal hybrid bond orbitals with maximum strength. PMID:16592279

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

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.

Model of fracture of metal melts and the strength of melts under dynamic conditions

NASA Astrophysics Data System (ADS)

Mayer, P. N.; Mayer, A. E.

2015-07-01

The development of a continuum model of deformation and fracture of melts is needed for the description of the behavior of metals in extreme states, in particular, under high-current electron and ultrashort laser irradiation. The model proposed includes the equations of mechanics of a two-phase continuum and the equations of the kinetics of phase transitions. The change (exchange) of the volumes of dispersed and carrier phases and of the number of dispersed particles is described, and the energy and mass exchange between the phases due to phase transitions is taken into account. Molecular dynamic (MD) calculations are carried out with the use of the LAMMPS program. The continuum model is verified by MD, computational, and experimental data. The strength of aluminum, copper, and nickel is determined at various temperatures and strain rates. It is shown that an increase in the strain rate leads to an increase in the strength of a liquid metal, while an increase in temperature leads to a decrease in its strength.

CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx).

PubMed

Baudin, Pablo; Kjærgaard, Thomas; Kristensen, Kasper

2017-04-14

In a recent work [P. Baudin and K. Kristensen, J. Chem. Phys. 144, 224106 (2016)], we introduced a local framework for calculating excitation energies (LoFEx), based on second-order approximated coupled cluster (CC2) linear-response theory. LoFEx is a black-box method in which a reduced excitation orbital space (XOS) is optimized to provide coupled cluster (CC) excitation energies at a reduced computational cost. In this article, we present an extension of the LoFEx algorithm to the calculation of CC2 oscillator strengths. Two different strategies are suggested, in which the size of the XOS is determined based on the excitation energy or the oscillator strength of the targeted transitions. The two strategies are applied to a set of medium-sized organic molecules in order to assess both the accuracy and the computational cost of the methods. The results show that CC2 excitation energies and oscillator strengths can be calculated at a reduced computational cost, provided that the targeted transitions are local compared to the size of the molecule. To illustrate the potential of LoFEx for large molecules, both strategies have been successfully applied to the lowest transition of the bivalirudin molecule (4255 basis functions) and compared with time-dependent density functional theory.

Bridging analytical approaches for low-carbon transitions

NASA Astrophysics Data System (ADS)

Geels, Frank W.; Berkhout, Frans; van Vuuren, Detlef P.

2016-06-01

Low-carbon transitions are long-term multi-faceted processes. Although integrated assessment models have many strengths for analysing such transitions, their mathematical representation requires a simplification of the causes, dynamics and scope of such societal transformations. We suggest that integrated assessment model-based analysis should be complemented with insights from socio-technical transition analysis and practice-based action research. We discuss the underlying assumptions, strengths and weaknesses of these three analytical approaches. We argue that full integration of these approaches is not feasible, because of foundational differences in philosophies of science and ontological assumptions. Instead, we suggest that bridging, based on sequential and interactive articulation of different approaches, may generate a more comprehensive and useful chain of assessments to support policy formation and action. We also show how these approaches address knowledge needs of different policymakers (international, national and local), relate to different dimensions of policy processes and speak to different policy-relevant criteria such as cost-effectiveness, socio-political feasibility, social acceptance and legitimacy, and flexibility. A more differentiated set of analytical approaches thus enables a more differentiated approach to climate policy making.

Strengths of serpentinite gouges at elevated temperatures

USGS Publications Warehouse

Moore, Diane E.; Lockner, D.A.; Ma, S.; Summers, R.; Byerlee, J.D.

1997-01-01

Serpentinite has been proposed as a cause of both low strength and aseismic creep of fault zones. To test these hypotheses, we have measured the strength of chrysotile-, lizardite-, and antigorite-rich serpentinite gouges under hydrothermal conditions, with emphasis on chrysotile, which has thus far received little attention. At 25??C, the coefficient of friction, ??, of chrysotile gouge is roughly 0.2, whereas the lizardite- and antigorite-rich gouges are at least twice as strong. The very low room temperature strength of chrysotile is a consequence of its unusually high adsorbed water content. When the adsorbed water is removed, chrysotile is as strong as pure antigorite gouge at room temperature. Heating to ???200??C causes the frictional strengths of all three gouges to increase. Limited data suggest that different polytypes of a given serpentine mineral have similar strengths; thus deformation-induced changes in polytype should not affect fault strength. At 25??C, the chrysotile gouge has a transition from velocity strengthening at low velocities to velocity weakening at high velocities, consistent with previous studies. At temperatures up to ???200??C, however, chrysotile strength is essentially independent of velocity at low velocities. Overall, chrysotile has a restricted range of velocity-strengthening behavior that migrates to higher velocities with increasing temperature. Less information on velocity dependence is available for the lizardite and antigorite gouges, but their behavior is consistent with that outlined for chrysotile. The marked changes in velocity dependence and strength of chrysotile with heating underscore the hazards of using room temperature data to predict fault behavior at depth. The velocity behavior at elevated temperatures does not rule out serpentinite as a cause of aseismic slip, but in the presence of a hydrostatic fluid pressure gradient, all varieties of serpentine are too strong to explain the apparent weakness of faults such

Measuring the B(E2) of the 1/2- ->3/2- transition in 7 Be

NASA Astrophysics Data System (ADS)

Henderson, S. L.; Ahn, T.; Caprio, M. A.; Constantinou, Ch.; Simon, A.; Twinsol Collaboration

2017-09-01

Ab-initio methods have been successful in describing the structure of light nuclei using realistic nucleon-nucleon interactions, but more experimental data is needed for light unstable nuclei. Recent no-core configuration interaction calculations have made predictions for the ratio of E2 transition strengths for the first excited state transition in 7 Be and 7 Li . Additional calculations that include clustering effects show a significant difference in the 7 Be and 7 Li B(E2) value. The E2 transition strength of the 7 Be first excited state has never been measured, which provides an interesting opportunity to investigate the accuracy of these calculations. To measure this E2 transition strength, a Coulomb Excitation experiment was performed at the University of Notre Dame. 7 Be was produced and separated using TwinSol. A beam of 7 Be ions were scattered off a gold target and the gamma rays from the inelastically scattered ions were detected using six clover Ge detectors. The most recent results for the E2 transition strength and its comparison to the no-core configuration interaction approach will be shown. In addition, new systematic checks on the experiment will be presented including the first stages of a Geant4 simulation to help account for beam anisotropies. This work has been supported by US NSF Grant No. PHY 14-19765 and DOE Grant Number DE-FG02-95ER-40934.

Effect of UV irradiation on the shear bond strength of titanium with segmented polyurethane through gamma-mercapto propyl trimethoxysilane.

PubMed

Sakamoto, Harumi; Hirohashi, Yohei; Doi, Hisashi; Tsutsumi, Yusuke; Suzuki, Yoshiaki; Noda, Kazuhiko; Hanawa, Takao

2008-01-01

The objective of this study was to investigate the effect of UV irradiation on shear bond strength between a titanium (Ti) and a segmented polyurethane (SPU) composite through gamma-mercapto propyl trimethoxysilane (gamma-MPS). To this end, the shear bond strength of Ti/SPU interface of Ti-SPU composite under varying conditions of ultraviolet ray (UV) irradiation was evaluated by a shear bond test. The glass transition temperatures of SPU with and without UV irradiation were also determined using differential scanning calorimetry. It was found that the shear bond strength of Ti/SPU interface increased with UV irradiation. However, excessive UV irradiation decreased the shear bond strength of Ti/SPU interface. Glass transition temperature was found to increase during 40-60 seconds of UV irradiation. In terms of durability after immersion in water at 37 degrees C for 30 days, shear bond strength was found to improve with UV irradiation. In conclusion, UV irradiation to a Ti-SPU composite was clearly one of the means to improve the shear bond strength of Ti/SPU interface.

VizieR Online Data Catalog: Eu III oscillator strengths (Masonkina+, 2002)

NASA Astrophysics Data System (ADS)

Masonkina, L. I.; Ryabtsev, A. N.; Ryabchikova, T. A.

2002-04-01

The calculations of the spectrum and oscillator strengths for the 4f7-(4f65d+4f66s) Eu III transitions. The calculations were performed with Cowan's RCN-RCG-RCE codes in the single-configuration approximation. The new oscillator strengths were tested by analyzing the Europium abundances using Eu II and Eu III lines in the spectra of hot peculiar stars (α2 CVn is a typical representative) and a cool peculiar stars (β CrB is a typical representative). (3 data files).

Thermodynamic behavior of a phase transition in a model for sympatric speciation

NASA Astrophysics Data System (ADS)

Luz-Burgoa, K.; Moss de Oliveira, S.; Schwämmle, Veit; Sá Martins, J. S.

2006-08-01

We investigate the macroscopic effects of the ingredients that drive the origin of species through sympatric speciation. In our model, sympatric speciation is obtained as we tune up the strength of competition between individuals with different phenotypes. As a function of this control parameter, we can characterize, through the behavior of a macroscopic order parameter, a phase transition from a nonspeciation to a speciation state of the system. The behavior of the first derivative of the order parameter with respect to the control parameter is consistent with a phase transition and exhibits a sharp peak at the transition point. For different resources distribution, the transition point is shifted, an effect similar to pressure in a PVT system. The inverse of the parameter related to a sexual selection strength behaves like an external field in the system and, as thus, is also a control parameter. The macroscopic effects of the biological parameters used in our model are a reminiscent of the behavior of thermodynamic quantities in a phase transition of an equilibrium physical system.

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

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.

All-atom simulations and free-energy calculations of coiled-coil peptides with lipid bilayers: binding strength, structural transition, and effect on lipid dynamics

NASA Astrophysics Data System (ADS)

Woo, Sun Young; Lee, Hwankyu

2016-03-01

Peptides E and K, which are synthetic coiled-coil peptides for membrane fusion, were simulated with lipid bilayers composed of lipids and cholesterols at different ratios using all-atom models. We first calculated free energies of binding from umbrella sampling simulations, showing that both E and K peptides tend to adsorb onto the bilayer surface, which occurs more strongly in the bilayer composed of smaller lipid headgroups. Then, unrestrained simulations show that K peptides more deeply insert into the bilayer with partially retaining the helical structure, while E peptides less insert and predominantly become random coils, indicating the structural transition from helices to random coils, in quantitative agreement with experiments. This is because K peptides electrostatically interact with lipid phosphates, as well as because hydrocarbons of lysines of K peptide are longer than those of glutamic acids of E peptide and thus form stronger hydrophobic interactions with lipid tails. This deeper insertion of K peptide increases the bilayer dynamics and a vacancy below the peptide, leading to the rearrangement of smaller lipids. These findings help explain the experimentally observed or proposed differences in the insertion depth, binding strength, and structural transition of E and K peptides, and support the snorkeling effect.

All-atom simulations and free-energy calculations of coiled-coil peptides with lipid bilayers: binding strength, structural transition, and effect on lipid dynamics.

PubMed

Woo, Sun Young; Lee, Hwankyu

2016-03-01

Peptides E and K, which are synthetic coiled-coil peptides for membrane fusion, were simulated with lipid bilayers composed of lipids and cholesterols at different ratios using all-atom models. We first calculated free energies of binding from umbrella sampling simulations, showing that both E and K peptides tend to adsorb onto the bilayer surface, which occurs more strongly in the bilayer composed of smaller lipid headgroups. Then, unrestrained simulations show that K peptides more deeply insert into the bilayer with partially retaining the helical structure, while E peptides less insert and predominantly become random coils, indicating the structural transition from helices to random coils, in quantitative agreement with experiments. This is because K peptides electrostatically interact with lipid phosphates, as well as because hydrocarbons of lysines of K peptide are longer than those of glutamic acids of E peptide and thus form stronger hydrophobic interactions with lipid tails. This deeper insertion of K peptide increases the bilayer dynamics and a vacancy below the peptide, leading to the rearrangement of smaller lipids. These findings help explain the experimentally observed or proposed differences in the insertion depth, binding strength, and structural transition of E and K peptides, and support the snorkeling effect.

Synaptic plasticity modulates autonomous transitions between waking and sleep states: Insights from a Morris-Lecar model

NASA Astrophysics Data System (ADS)

Ciszak, Marzena; Bellesi, Michele

2011-12-01

The transitions between waking and sleep states are characterized by considerable changes in neuronal firing. During waking, neurons fire tonically at irregular intervals and a desynchronized activity is observed at the electroencephalogram. This activity becomes synchronized with slow wave sleep onset when neurons start to oscillate between periods of firing (up-states) and periods of silence (down-states). Recently, it has been proposed that the connections between neurons undergo potentiation during waking, whereas they weaken during slow wave sleep. Here, we propose a dynamical model to describe basic features of the autonomous transitions between such states. We consider a network of coupled neurons in which the strength of the interactions is modulated by synaptic long term potentiation and depression, according to the spike time-dependent plasticity rule (STDP). The model shows that the enhancement of synaptic strength between neurons occurring in waking increases the propensity of the network to synchronize and, conversely, desynchronization appears when the strength of the connections become weaker. Both transitions appear spontaneously, but the transition from sleep to waking required a slight modification of the STDP rule with the introduction of a mechanism which becomes active during sleep and changes the proportion between potentiation and depression in accordance with biological data. At the neuron level, transitions from desynchronization to synchronization and vice versa can be described as a bifurcation between two different states, whose dynamical regime is modulated by synaptic strengths, thus suggesting that transition from a state to an another can be determined by quantitative differences between potentiation and depression.

Non-resonant collider signatures of a singlet-driven electroweak phase transition

DOE PAGES

Chen, Chien-Yi; Kozaczuk, Jonathan; Lewis, Ian M.

2017-08-22

We analyze the collider signatures of the real singlet extension of the Standard Model in regions consistent with a strong first-order electroweak phase transition and a singlet-like scalar heavier than the Standard Model-like Higgs. A definitive correlation exists between the strength of the phase transition and the trilinear coupling of the Higgs to two singlet-like scalars, and hence between the phase transition and non-resonant scalar pair production involving the singlet at colliders. We study the prospects for observing these processes at the LHC and a future 100 TeV pp collider, focusing particularly on double singlet production. We also discuss correlationsmore » between the strength of the electroweak phase transition and other observables at hadron and future lepton colliders. Searches for non-resonant singlet-like scalar pair production at 100 TeV would provide a sensitive probe of the electroweak phase transition in this model, complementing resonant di-Higgs searches and precision measurements. Our study illustrates a strategy for systematically exploring the phenomenologically viable parameter space of this model, which we hope will be useful for future work.« less

Two-photon-absorption line strengths for nitric oxide: Comparison of theory and sub-Doppler, laser-induced fluorescence measurements

NASA Astrophysics Data System (ADS)

Kulatilaka, Waruna D.; Lucht, Robert P.

2017-03-01

We discuss the results of high-resolution, sub-Doppler two-photon-absorption laser-induced fluorescence (TPALIF) spectroscopy of nitric oxide at low pressure and room temperature. The measurements were performed using the single-longitudinal mode output of a diode-laser-seeded optical parametric generator (OPG) system with a measured frequency bandwidth of 220 MHz. The measurements were performed using a counter-propagating pump beam geometry, resulting in sub-Doppler TPALIF spectra of NO for various rotational transitions in the (0,0) vibrational band of the A2Σ+ - X2Π electronic transition. The experimental results are compared with the results of a perturbative treatment of the rotational line strengths for the 20 different rotational branches of the X2Π(v″ = 0) → A2Σ+(v' = 0) two-photon absorption band. In the derivation of the expressions for the two-photon transition absorption strength, the closure relation is used for rotational states in the intermediate levels of the two-photon transition in analogy with the Placzek treatment of Raman transitions. The theoretical treatment of the effect of angular momentum coupling on the two-photon rotational line strengths features the use of irreducible spherical tensors and 3j symbols. The final results are expressed in terms of the Hund's case (a) coupling coefficients aJ and bJ for the X2Π(v″ = 0) rotational level wavefunctions, which are intermediate between Hund's case (a) and case (b). Considerable physical insight is provided by this final form of the equations for the rotational line strengths. Corrections to the two-photon absorption rotational line strength for higher order effects such as centrifugal stretching can be included in a straightforward fashion in the analysis by incorporating higher order terms in these coupling coefficients aJ and bJ, although these corrections are essentially negligible for J < 50. The theoretical calculations of relative line intensities are in good agreement both

Phase transition at N = 92 in 158Dy

NASA Astrophysics Data System (ADS)

Gupta, J. B.

2016-09-01

Beyond the shape phase transition from the spherical vibrator to the deformed rotor regime at N = 90, the interplay of β- and γ-degrees of freedom becomes important, which affects the relative positions of the Kπ = 0+β- and Kπ = 2+γ-bands. In the microscopic approach of the dynamic pairing plus quadrupole model, a correlation of the strength of the quadrupole force and the formation of the β- and γ-bands in 158Dy is described. The role of the potential energy surface is illustrated. The E2 transition rates in the lower three K-bands and the multi-phonon bands with Kπ = 0+, 2+ and 4+ are well reproduced. The absolute B(E2, 2i+ = 0 2+) (i = 2, 3) serves as a good measure of the quadrupole strength. The role of the single particle Nilsson orbits is also described.

Measuring magnetic field vector by stimulated Raman transitions

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

Wang, Wenli; Wei, Rong, E-mail: weirong@siom.ac.cn; Lin, Jinda

2016-03-21

We present a method for measuring the magnetic field vector in an atomic fountain by probing the line strength of stimulated Raman transitions. The relative line strength for a Λ-type level system with an existing magnetic field is theoretically analyzed. The magnetic field vector measured by our proposed method is consistent well with that by the traditional bias magnetic field method with an axial resolution of 6.1 mrad and a radial resolution of 0.16 rad. Dependences of the Raman transitions on laser polarization schemes are also analyzed. Our method offers the potential advantages for magnetic field measurement without requiring additional bias fields,more » beyond the limitation of magnetic field intensity, and extending the spatial measurement range. The proposed method can be widely used for measuring magnetic field vector in other precision measurement fields.« less

How prepared are transition-age deaf and hard of hearing students for adult living? Results of the transition competence battery.

PubMed

Luft, Pamela; Huff, Kelly

2011-01-01

One result of the Individuals With Disabilities Education Act and related legislation is that most deaf and hard of hearing (DHH) students attend local public schools. Although such placements may provide greater access to general education classrooms and curriculum, DHH students' specialized needs are less likely to be addressed. Using the Transition Competence Battery (TCB; Reiman, Bullis, & Davis, 1993), the researchers examined the transition strengths and needs of 53 middle and high school DHH students attending public schools. It was found that the students had substantial transition competence deficits and that none reached the recommended competence levels on more than 4 of the 6 subtests. The TCB is an important transition tool that fulfills requirements under the 2004 Individuals With Disabilities Education Improvement Act Amendments to use age-appropriate and results-oriented transition assessments that document program and intervention outcomes.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Crack Arrest Toughness of Two High Strength Steels (AISI 4140 and AISI 4340)

NASA Astrophysics Data System (ADS)

Ripling, E. J.; Mulherin, J. H.; Crosley, P. B.

1982-04-01

The crack initiation toughness ( K c ) and crack arrest toughness ( K a ) of AISI 4140 and AISI 4340 steel were measured over a range of yield strengths from 965 to 1240 MPa, and a range of test temperatures from -53 to +74°C. Emphasis was placed on K a testing since these values are thought to represent the minimum toughness of the steel as a function of loading rate. At the same yield strengths and test temperatures, K a for the AISI 4340 was about twice as high as it was for the AISI 4140. In addition, the K a values showed a more pronounced transition temperature than the K c values, when the data were plotted as a function of test temperature. The transition appeared to be associated with a change in fracture mechanism from cleavage to dimpled rupture as the test temperature was increased. The occurrence of a “pop-in” behavior at supertransition temperatures has not been found in lower strength steels, and its evaluation in these high strength steels was possible only because they are not especially tough at their supertransition temperatures. There is an upper toughness limit at which pop-in will not occur, and this was found for the AISI 4340 steel when it was tempered to its lowest yield strength (965 MPa). All the crack arrest data were identified as plane strain values, while only about one-half of the initiation values could be classified this way.

Exploring and Leveraging Chinese International Students' Strengths for Success

ERIC Educational Resources Information Center

He, Ye; Hutson, Bryant

2018-01-01

This study used an Appreciative Education framework to explore the strengths of Chinese international students and to identify areas where support is needed during their transition to U.S. higher education settings. Using a convergent mixed methods design with data collected from surveys, interviews and focus groups, the complex nature of the…

Limits on rock strength under high confinement

NASA Astrophysics Data System (ADS)

Renshaw, Carl E.; Schulson, Erland M.

2007-06-01

Understanding of deep earthquake source mechanisms requires knowledge of failure processes active under high confinement. Under low confinement the compressive strength of rock is well known to be limited by frictional sliding along stress-concentrating flaws. Under higher confinement strength is usually assumed limited by power-law creep associated with the movement of dislocations. In a review of existing experimental data, we find that when the confinement is high enough to suppress frictional sliding, rock strength increases as a power-law function only up to a critical normalized strain rate. Within the regime where frictional sliding is suppressed and the normalized strain rate is below the critical rate, both globally distributed ductile flow and localized brittle-like failure are observed. When frictional sliding is suppressed and the normalized strain rate is above the critical rate, failure is always localized in a brittle-like manner at a stress that is independent of the degree of confinement. Within the high-confinement, high-strain rate regime, the similarity in normalized failure strengths across a variety of rock types and minerals precludes both transformational faulting and dehydration embrittlement as strength-limiting mechanisms. The magnitude of the normalized failure strength corresponding to the transition to the high-confinement, high-strain rate regime and the observed weak dependence of failure strength on strain rate within this regime are consistent with a localized Peierls-type strength-limiting mechanism. At the highest strain rates the normalized strengths approach the theoretical limit for crystalline materials. Near-theoretical strengths have previously been observed only in nano- and micro-scale regions of materials that are effectively defect-free. Results are summarized in a new deformation mechanism map revealing that when confinement and strain rate are sufficient, strengths approaching the theoretical limit can be achieved in

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

Transitions to Synchrony in Coupled Bursting Neurons

NASA Astrophysics Data System (ADS)

Dhamala, Mukeshwar; Jirsa, Viktor K.; Ding, Mingzhou

2004-01-01

Certain cells in the brain, for example, thalamic neurons during sleep, show spike-burst activity. We study such spike-burst neural activity and the transitions to a synchronized state using a model of coupled bursting neurons. In an electrically coupled network, we show that the increase of coupling strength increases incoherence first and then induces two different transitions to synchronized states, one associated with bursts and the other with spikes. These sequential transitions to synchronized states are determined by the zero crossings of the maximum transverse Lyapunov exponents. These results suggest that synchronization of spike-burst activity is a multi-time-scale phenomenon and burst synchrony is a precursor to spike synchrony.

Known for My Strengths: Positive Traits of Transition-Age Youth With Intellectual Disability and/or Autism

ERIC Educational Resources Information Center

Carter, Erik W.; Boehm, Thomas L.; Biggs, Elizabeth E.; Annandale, Naomi H.; Taylor, Courtney E.; Loock, Aimee K.; Liu, Rosemary Y.

2015-01-01

Can young people with intellectual and developmental disabilities be known for their strengths? This mixed-method study explored the strengths of 427 youth and young adults with intellectual disability and/or autism (ages 13-21) from the vantage point of their parents. Using the Assessment Scale for Positive Character Traits-Developmental…

Cholesteric-nematic transitions induced by a shear flow and a magnetic field

NASA Astrophysics Data System (ADS)

Zakhlevnykh, A. N.; Makarov, D. V.; Novikov, A. A.

2017-10-01

The untwisting of the helical structure of a cholesteric liquid crystal under the action of a magnetic field and a shear flow has been studied theoretically. Both factors can induce the cholesteric-nematic transition independently; however, the difference in the orienting actions of the magnetic field and the shear flow leads to competition between magnetic and hydrodynamic mechanisms of influence on the cholesteric liquid crystal. We have analyzed different orientations of the magnetic field relative to the direction of the flow in the shear plane. In a number of limiting cases, the analytic dependences are obtained for the pitch of the cholesteric helix deformed by the shear flow. The phase diagrams of the cholesteric-nematic transitions and the pitch of the cholesteric helix are calculated for different values of the magnetic field strength and the angle of orientation, the flow velocity gradient, and the reactive parameter. It is shown that the magnetic field stabilizes the orientation of the director in the shear flow and expands the boundaries of orientability of cholesterics. It has been established that the shear flow shifts the critical magnetic field strength of the transition. It is shown that a sequence of reentrant orientational cholesteric-nematic-cholesteric transitions can be induced by rotating the magnetic field in certain intervals of its strength and shear flow velocity gradients.

Rural Vocational and Transition Assessment Practices for Students with Intellectual Disabilities: What Do Educators Really Know?

ERIC Educational Resources Information Center

Brendle, Janna; Tucker, Kathryn J.; Lock, Robin H.

2018-01-01

Transition planning requires quality vocational and transition assessment tailored to the student's needs, strengths, preferences and interests. Limited research is currently available that addresses assessment types and use of results that rural practitioners utilize to aid in transition planning for students with intellectual disabilities (ID).…

Collision strengths for FIR and UV transtions in P III and the phosphorus abundance

NASA Astrophysics Data System (ADS)

Naghma, Rahla; Nahar, Sultana N.; Pradhan, Anil K.

2018-06-01

Phosphorus abundance is crucial for DNA-based extraterrestrial life in exoplanets. Atomic data for observed spectral lines of P-ions are needed for its accurate determination. We present the first calculations for collision strengths for the forbidden [P III] fine structure transition 3s^23p (^2P^o_{1/2-3/2}) within the ground state at 17.9 μm , as well as allowed UV transitions in the 3s^23p (^2P^o_{1/2,3/2}) \\rArr 3s3p^2 (^2D_{3/2,5/2}, ^2S_{1/2}, ^2P_{1/2,3/2}) multiplets between 915-1345 Å. Collision strengths are computed using the Breit-Pauli R-Matrix method including the first 18 levels, and they exhibit extensive auto-ionizing resonance structures. In particular, the Maxwellian averaged effective collision strength for the FIR 17.9 μm transition shows a factor 3 temperature variation broadly peaking at typical nebular temperatures. Its theoretical emissivity with solar phosphorus abundance is computed relative to Hβ and found to be similar to observed intensties from planetary nebulae; the abundances derived in earlier works are 3-5 times sub-solar. The results pertain to the reported paucity of phosphorus from preferred production sites in supernovae, and abundances in planetary nebulae and supernova remnants.

Dynamic Transitions and Baroclinic Instability for 3D Continuously Stratified Boussinesq Flows

NASA Astrophysics Data System (ADS)

Şengül, Taylan; Wang, Shouhong

2018-02-01

The main objective of this article is to study the nonlinear stability and dynamic transitions of the basic (zonal) shear flows for the three-dimensional continuously stratified rotating Boussinesq model. The model equations are fundamental equations in geophysical fluid dynamics, and dynamics associated with their basic zonal shear flows play a crucial role in understanding many important geophysical fluid dynamical processes, such as the meridional overturning oceanic circulation and the geophysical baroclinic instability. In this paper, first we derive a threshold for the energy stability of the basic shear flow, and obtain a criterion for local nonlinear stability in terms of the critical horizontal wavenumbers and the system parameters such as the Froude number, the Rossby number, the Prandtl number and the strength of the shear flow. Next, we demonstrate that the system always undergoes a dynamic transition from the basic shear flow to either a spatiotemporal oscillatory pattern or circle of steady states, as the shear strength of the basic flow crosses a critical threshold. Also, we show that the dynamic transition can be either continuous or catastrophic, and is dictated by the sign of a transition number, fully characterizing the nonlinear interactions of different modes. Both the critical shear strength and the transition number are functions of the system parameters. A systematic numerical method is carried out to explore transition in different flow parameter regimes. In particular, our numerical investigations show the existence of a hypersurface which separates the parameter space into regions where the basic shear flow is stable and unstable. Numerical investigations also yield that the selection of horizontal wave indices is determined only by the aspect ratio of the box. We find that the system admits only critical eigenmodes with roll patterns aligned with the x-axis. Furthermore, numerically we encountered continuous transitions to multiple

Rupture complexity and the supershear transition on rough faults

NASA Astrophysics Data System (ADS)

Bruhat, Lucile; Fang, Zijun; Dunham, Eric M.

2016-01-01

Field investigations suggest that supershear earthquakes occur on geometrically simple, smooth fault segments. In contrast, dynamic rupture simulations show how heterogeneity of stress, strength, and fault geometry can trigger supershear transitions, as well as other complex rupture styles. Here we examine the Fang and Dunham (2013) ensemble of 2-D plane strain dynamic ruptures on fractally rough faults subject to strongly rate weakening friction laws to document the effect of fault roughness and prestress on rupture behavior. Roughness gives rise to extremely diverse rupture styles, such as rupture arrests, secondary slip pulses that rerupture previously slipped fault sections, and supershear transitions. Even when the prestress is below the Burridge-Andrews threshold for supershear on planar faults with uniform stress and strength conditions, supershear transitions are observed. A statistical analysis of the rupture velocity distribution reveals that supershear transients become increasingly likely at higher stress levels and on rougher faults. We examine individual ruptures and identify recurrent patterns for the supershear transition. While some transitions occur on fault segments that are favorably oriented in the background stress field, other transitions happen at the initiation of or after propagation through an unfavorable bend. We conclude that supershear transients are indeed favored by geometric complexity. In contrast, sustained supershear propagation is most common on segments that are locally smoother than average. Because rupture style is so sensitive to both background stress and small-scale details of the fault geometry, it seems unlikely that field maps of fault traces will provide reliable deterministic predictions of supershear propagation on specific fault segments.

Rock mass classification system : transition from RMR to GSI.

DOT National Transportation Integrated Search

2013-11-01

The AASHTO LRFD Bridge Design Specifications is expected to replace the rock mass rating : (RMR) system with the Geological Strength Index (GSI) system for classifying and estimating : engineering properties of rock masses. This transition is motivat...

Experimental radiative lifetimes, branching fractions, and oscillator strengths of some levels in Tm III

NASA Astrophysics Data System (ADS)

Yu, Qi; Wang, Xinghao; Li, Qiu; Gong, Yimin; Dai, Zhenwen

2018-06-01

Natural radiative lifetimes for five even-parity levels of Tm III were measured by time-resolved laser-induced fluorescence method. The branching fraction measurements were performed based on the emission spectra of a hollow cathode lamp. By combining the measured branching fractions and the lifetime values reported in this work and in literature, experimental transition probabilities and oscillator strengths for 11 transitions were derived for the first time.

Energies, Wavelengths, and Transition Rates for Ga-Like Ions (Nd XXX-Tb XXXV)

NASA Astrophysics Data System (ADS)

El-Sayed, Fatma; Attia, S. M.

2016-03-01

Energies, wavelengths, transition probabilities, oscillator strengths, and line strengths have been calculated for 4s24p-4s4p2 and 4s24p-4s24d transitions in gallium-like ions from Z = 60 to 65, for Nd XXX, Pm XXXI, Sm XXXII, Eu XXXIII, Gd XXXIV, and Tb XXXV using the fully relativistic multiconfi guration Dirac-Fock method. The correlation with the n = 4 complex and the quantum electrodynamic effects have been considered in the calculations. The obtained results have been compared with the available experimental and other theoretical results.

Preparing for the Future: A Student Transition Handbook. Documentation of a Collaborative Transition Planning System: West End SELPA.

ERIC Educational Resources Information Center

Cahill, Deborah, Comp.; And Others

This handbook acquaints special needs students with programs and opportunities available to help them make the transition from school to working. The guide helps students identify their personal strengths, identify goals for the future, determine skills needed to reach those goals, and determine help needed from others. The body of the guide…

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

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.

Electric dipole transitions for four-times ionized cerium (Ce V)

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

Usta, Betül Karaçoban, E-mail: bkaracoban@sakarya.edu.tr; Akgün, Elif, E-mail: elif.akgun@ogr.sakarya.edu.tr; Alparslan, Büşra, E-mail: busra.alparslan1@ogr.sakarya.edu.tr

2016-03-25

We have calculated the transition parameters, such as wavelengths, oscillator strengths, and transition probabilities (or rates), for the electric dipole (E1) transitions in four-times ionized cerium (Ce V, Z = 58) by using the multiconfiguration Hartree-Fock method within the framework of Breit-Pauli (MCHF+BP) relativistic corrections and the relativistic Hartree-Fock (HFR) method. The obtained results have been compared with other works available in literature. A discussion of these calculations for Ce V in this study has also been in view of the MCHF+BP and HFR methods.

Stretch-collapse transition of polyelectrolyte brushes in a poor solvent

NASA Astrophysics Data System (ADS)

von Goeler, F.; Muthukumar, M.

1996-12-01

This paper describes the behavior of charged, polymer brushes in electrolyte solutions of varying solvent quality. The brush height, d, dependence on the chain length, L (=Nl, where l is the Kuhn length), the grafting density σ, and solvent conditions is determined. We consider a monomer-monomer potential consisting of three components: (1) a long-ranged, screened Coulombic component of strength v¯/l (l is the Kuhn length) and range κ-1; (2) a short-ranged, two-body component of strength w¯l; and (3) a short-ranged, three-body component of strength ūl3. In particular, we examine the transition from a stretched state to a collapsed state in a poor solvent (w¯<0) as the solvent quality is decreased. Using dimensional analysis, Monte Carlo methods, and a variational technique, a first order transition is observed as predicted by the scaling arguments of Ross et al. and Borisov et al. for high charge/grafting densities. Using a variational procedure, we derive an analytical expression for the brush size and determine, quantitatively, the critical conditions for a first order transition in terms of key dimensionless variables, vN5/2, κlN1/2, wN3/2, and uN2 (where v=2πσl2v¯, w=σl2w¯, and u=σ2l4ū).

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.

Collective firm bankruptcies and phase transition in rating dynamics

NASA Astrophysics Data System (ADS)

Sieczka, P.; Hołyst, J. A.

2009-10-01

We present a simple model of firm rating evolution. We consider two sources of defaults: individual dynamics of economic development and Potts-like interactions between firms. We show that such a defined model leads to phase transition, which results in collective defaults. The existence of the collective phase depends on the mean interaction strength. For small interaction strength parameters, there are many independent bankruptcies of individual companies. For large parameters, there are giant collective defaults of firm clusters. In the case when the individual firm dynamics favors dumping of rating changes, there is an optimal strength of the firm's interactions from the systemic risk point of view. in here

Secular change in muscular strength of indigenous rural youth 6-17 years in Oaxaca, southern Mexico: 1968-2000.

PubMed

Malina, Robert M; Reyes, Maria Eugenia Peña; Tan, Swee Kheng; Little, Bertis B

2010-04-01

The study compared the grip strength of indigenous school youth 6-17 years of age in Oaxaca, southern Mexico, who were surveyed in 1968, 1978 and 2000. Grip strength (Smedley/Stoelting) was measured to 0.5 kg in 1280 children and adolescent, 621 males and 659 females, in the three surveys. Height and weight were also measured. Strength of the right and left hands was summed to provide a general estimate of muscular strength. Summed grip strength was also expressed per unit body mass (kg/kg) and height (kg/m). Subjects were classified into four age groups: 6-8 years (childhood), 9-11 years (transition in adolescence), 12-14 years (early adolescence) and 15-17 years (later adolescence). Children 6-14 years were surveyed in 1968, 1978 and 2000 while adolescents 15-17 years were surveyed in 1978 and 2000. Sex-specific MANCOVAs were used for comparisons among years within age groups. Changes in grip strength between 1968 and 1978 among children 6-14 years were small and significant only in girls. Grip strength increased, on average, between 1978 and 2000 in boys 6-17 years but only in girls 6-14 years; adolescent girls 15-17 years in 1978 were stronger than those in 2000. Secular gains in muscular strength were generally proportional to secular gains in body weight and height. The data demonstrate secular changes in muscular strength in indigenous rural youth in a community in the process of transition from subsistence level agriculture to an economy less dependent upon agriculture.

Energy levels, radiative rates and electron impact excitation rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV

NASA Astrophysics Data System (ADS)

Aggarwal, Kanti M.; Keenan, Francis P.

2013-04-01

We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV. The grasp (general-purpose relativistic atomic structure package) is adopted for calculating energy levels and radiative rates. For determining the collision strengths, and subsequently the excitation rates, the Dirac atomic R-matrix code (darc) is used. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest 49 levels of each ion. Additionally, theoretical lifetimes are provided for all 49 levels of the above five ions. Collision strengths are averaged over a Maxwellian velocity distribution and the effective collision strengths obtained listed over a wide temperature range up to 108 K. Comparisons are made with similar data obtained using the flexible atomic code (fac) to highlight the importance of resonances, included in calculations with darc, in the determination of effective collision strengths. Discrepancies between the collision strengths from darc and fac, particularly for some forbidden transitions, are also discussed. Finally, discrepancies between the present results for effective collision strengths with the darc code and earlier semi-relativistic R-matrix data are noted over a wide range of electron temperatures for many transitions in all ions.

Ab Initio Study of the Electric Dipole Transition Moment for the Electronic X to C Transition in Acetylene: Theoretical Predictions of the Absorption and Magnetic Circular Dichroism Intensities

DTIC Science & Technology

1990-12-01

Symmetric C-C Stretch . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13 6. MCQ Intensities and Oscillator Strengths...chemical approach, but only at the SCF level , to predict an absorption oscillator strength of 0.072 for the (vertical) CE-X transition. An early...fact that the lower v’ levels agree better with experiment than the higher v’ levels suggests increasing inaccuracies in the Franck-Condon overlap with

Geometric structure and information change in phase transitions

NASA Astrophysics Data System (ADS)

Kim, Eun-jin; Hollerbach, Rainer

2017-06-01

We propose a toy model for a cyclic order-disorder transition and introduce a geometric methodology to understand stochastic processes involved in transitions. Specifically, our model consists of a pair of forward and backward processes (FPs and BPs) for the emergence and disappearance of a structure in a stochastic environment. We calculate time-dependent probability density functions (PDFs) and the information length L , which is the total number of different states that a system undergoes during the transition. Time-dependent PDFs during transient relaxation exhibit strikingly different behavior in FPs and BPs. In particular, FPs driven by instability undergo the broadening of the PDF with a large increase in fluctuations before the transition to the ordered state accompanied by narrowing the PDF width. During this stage, we identify an interesting geodesic solution accompanied by the self-regulation between the growth and nonlinear damping where the time scale τ of information change is constant in time, independent of the strength of the stochastic noise. In comparison, BPs are mainly driven by the macroscopic motion due to the movement of the PDF peak. The total information length L between initial and final states is much larger in BPs than in FPs, increasing linearly with the deviation γ of a control parameter from the critical state in BPs while increasing logarithmically with γ in FPs. L scales as |lnD | and D-1 /2 in FPs and BPs, respectively, where D measures the strength of the stochastic forcing. These differing scalings with γ and D suggest a great utility of L in capturing different underlying processes, specifically, diffusion vs advection in phase transition by geometry. We discuss physical origins of these scalings and comment on implications of our results for bistable systems undergoing repeated order-disorder transitions (e.g., fitness).

Geometric structure and information change in phase transitions.

PubMed

Kim, Eun-Jin; Hollerbach, Rainer

2017-06-01

We propose a toy model for a cyclic order-disorder transition and introduce a geometric methodology to understand stochastic processes involved in transitions. Specifically, our model consists of a pair of forward and backward processes (FPs and BPs) for the emergence and disappearance of a structure in a stochastic environment. We calculate time-dependent probability density functions (PDFs) and the information length L, which is the total number of different states that a system undergoes during the transition. Time-dependent PDFs during transient relaxation exhibit strikingly different behavior in FPs and BPs. In particular, FPs driven by instability undergo the broadening of the PDF with a large increase in fluctuations before the transition to the ordered state accompanied by narrowing the PDF width. During this stage, we identify an interesting geodesic solution accompanied by the self-regulation between the growth and nonlinear damping where the time scale τ of information change is constant in time, independent of the strength of the stochastic noise. In comparison, BPs are mainly driven by the macroscopic motion due to the movement of the PDF peak. The total information length L between initial and final states is much larger in BPs than in FPs, increasing linearly with the deviation γ of a control parameter from the critical state in BPs while increasing logarithmically with γ in FPs. L scales as |lnD| and D^{-1/2} in FPs and BPs, respectively, where D measures the strength of the stochastic forcing. These differing scalings with γ and D suggest a great utility of L in capturing different underlying processes, specifically, diffusion vs advection in phase transition by geometry. We discuss physical origins of these scalings and comment on implications of our results for bistable systems undergoing repeated order-disorder transitions (e.g., fitness).

Surface Meteorology at Kougarok Site Station, Seward Peninsula, Alaska, Ongoing from 2017

DOE Data Explorer

Bob Busey; Bob Bolton; Cathy Wilson; Lily Cohen

2017-12-04

Meteorological data are currently being collected at one location at the top of the Kougarok hill, Seward Peninsula. This December 18, 2017 release includes data for: 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.

Effects of surface anchoring on the electric Frederiks transition in ferronematic systems

NASA Astrophysics Data System (ADS)

Farrokhbin, Mojtaba; Kadivar, Erfan

2016-11-01

The effects of anchoring phenomenon on the electric Frederiks transition threshold field in a nematic liquid crystal doped with ferroelectric nanoparticles are discussed. The polarizability of these nanoparticles in combination with confinement effects cause the drastic effects on the ferronematic systems. This study is based on Frank free energy and Rapini-Papoular surface energy for ferronematic liquid crystal having finite anchoring condition. In the case of different anchoring boundary conditions, the Euler-Lagrange equation of the total free energy is numerically solved by using the finite difference method together with the relaxation method and Maxwell construction to select the physical solutions and therefore investigate the effects of different anchoring strengths on the Frederiks transition threshold field. Maxwell construction method is employed to select three periodic solutions for nematic liquid crystal director at the interfaces of a slab. In the interval from zero to half- π, there is only one solution for the director orientation. In this way, NLC director rotates toward the normal to the surface as the applied electric field increases at the walls. Our numerical results illustrate that above Frederiks transition and in the intermediate anchoring strength, nematic molecules illustrate the different orientation at slab boundaries. We also study the effects of different anchoring strengths, nanoparticle volume fractions and polarizations on the Frederiks transition threshold field. We report that decreasing in the nanoparticle polarization results in the saturation Frederiks threshold. However, this situation does not happen for the nanoparticles volume fraction.

Accurate Calculation of Oscillator Strengths for CI II Lines Using Non-orthogonal Wavefunctions

NASA Technical Reports Server (NTRS)

Tayal, S. S.

2004-01-01

Non-orthogonal orbitals technique in the multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities for allowed and intercombination lines in Cl II. The relativistic corrections are included through the Breit-Pauli Hamiltonian. The Cl II wave functions show strong term dependence. The non-orthogonal orbitals are used to describe the term dependence of radial functions. Large sets of spectroscopic and correlation functions are chosen to describe adequately strong interactions in the 3s(sup 2)3p(sup 3)nl (sup 3)Po, (sup 1)Po and (sup 3)Do Rydberg series and to properly account for the important correlation and relaxation effects. The length and velocity forms of oscillator strength show good agreement for most transitions. The calculated radiative lifetime for the 3s3p(sup 5) (sup 3)Po state is in good agreement with experiment.

Postsecondary Strengths, Challenges, and Supports Experienced by Foster Care Alumni College Graduates

ERIC Educational Resources Information Center

Salazar, Amy M.; Jones, Kevin R.; Emerson, John C.; Mucha, Lauren

2016-01-01

Young people transitioning from foster care to college experience unique identities and circumstances that make being successful in college especially challenging. We used qualitative survey data from 248 college graduates who were formerly in foster care to explore the strengths, challenges, and supports they experienced while in college that…

Giant Transiting Planets Observations GITPO

NASA Astrophysics Data System (ADS)

Afonso, C.; Henning, Th.; Weldrake, D.; Mazeh, T.; Dreizler, S.

The search for extrasolar planets is nowadays one of the most promising science drivers in Astronomy. The radial velocity technique proved to be successful in planet hunting, harvesting more than a hundred planets to date. In these last recent years, the transit method has come to fruition, with the detection of seven Jupiter-mass extrasolar transiting planets in close-in orbits ({ AU). Currently, the radius of planets can only be determined from transiting planets, representing the principal motivation and strength of this technique. The MPIA is presently building the Large Area Imager (LAIWO) for the 1m telescope in the Wise Observatory, Israel. LAIWO will have a field of view of one square degree. An intensive search for extra-solar planets will be performed with the 1m Wise telescope, together with the 1.2m MONET telescope in Texas. We will monitor three fields at a given time during three years and more than 200 nights per year. We expect several dozens of extra-solar planets.

Enhanced magnetic anisotropies of single transition-metal adatoms on a defective MoS2 monolayer.

PubMed

Cong, W T; Tang, Z; Zhao, X G; Chu, J H

2015-03-23

Single magnetic atoms absorbed on an atomically thin layer represent the ultimate limit of bit miniaturization for data storage. To approach the limit, a critical step is to find an appropriate material system with high chemical stability and large magnetic anisotropic energy. Here, on the basis of first-principles calculations and the spin-orbit coupling theory, it is elucidated that the transition-metal Mn and Fe atoms absorbed on disulfur vacancies of MoS2 monolayers are very promising candidates. It is analysed that these absorption systems are of not only high chemical stabilities but also much enhanced magnetic anisotropies and particularly the easy magnetization axis is changed from the in-plane one for Mn to the out-of-plane one for Fe by a symmetry-lowering Jahn-Teller distortion. The results point out a promising direction to achieve the ultimate goal of single adatomic magnets with utilizing the defective atomically thin layers.

Stress, Depression, and Anxiety among Transitioning College Students: The Family as a Protective Factor

ERIC Educational Resources Information Center

Kahn, Jeffrey H.; Kasky-Hernández, Lynda M.; Ambrose, Pamm; French, Sarah

2017-01-01

Stress associated with the college transition can bring about depression and anxiety symptoms, but family relationships can reduce the impact of stress. We hypothesized that secure attachment to parents, comfort with talking about stressors, and family support would reduce the strength of the relationships between transition-related stress and…

Sol-gel Synthesis, Photo- and Electrocatalytic Properties of Mesoporous TiO2 Modified with Transition Metal Ions

NASA Astrophysics Data System (ADS)

Smirnova, N.; Petrik, I.; Vorobets, V.; Kolbasov, G.; Eremenko, A.

2017-03-01

Mesoporous nanosized titania films modified with Co2+, Ni2+, Mn3+, and Cu2+ ions have been produced by templated sol-gel method and characterized by optical spectroscopy, X-ray diffraction (XRD), and Brunauer, Emmett, and Teller (BET) surface area measurement. Band gap energy and the position of flat band potentials were estimated by photoelectrochemical measurements. The films doped with transition metals possessed higher photocurrent quantum yield, as well as photo- and electrochemical activity compared to undoped samples. Mn+/TiO2 (M-Co, Ni, Mn, Cu) electrodes with low dopant content demonstrate high efficiency in electrocatalytic reduction of dissolved oxygen. Polarization curves of TiO2, TiO2/Ni2+, TiO2/Co2+/3+, and TiO2/Mn3+ electrodes contain only one current wave (oxygen reduction current). It means that reaction proceeds without the formation of an intermediate product H2O2.

Large low-energy M1 strength for ^{56,57}Fe within the nuclear shell model.

PubMed

Brown, B Alex; Larsen, A C

2014-12-19

A strong enhancement at low γ-ray energies has recently been discovered in the γ-ray strength function of ^{56,57}Fe. In this work, we have for the first time obtained theoretical γ decay spectra for states up to ≈8  MeV in excitation for ^{56,57}Fe. We find large B(M1) values for low γ-ray energies that provide an explanation for the experimental observations. The role of mixed E2 transitions for the low-energy enhancement is addressed theoretically for the first time, and it is found that they contribute a rather small fraction. Our calculations clearly show that the high-ℓ(=f) diagonal terms are most important for the strong low-energy M1 transitions. As such types of 0ℏω transitions are expected for all nuclei, our results indicate that a low-energy M1 enhancement should be present throughout the nuclear chart. This could have far-reaching consequences for our understanding of the M1 strength function at high excitation energies, with profound implications for astrophysical reaction rates.

VARIATION IN THE PRE-TRANSIT BALMER LINE SIGNAL AROUND THE HOT JUPITER HD 189733B

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

Cauley, P. Wilson; Redfield, Seth; Jensen, Adam G.

As followup to our recent detection of a pre-transit signal around HD 189733 b, we obtained full pre-transit phase coverage of a single planetary transit. The pre-transit signal is again detected in the Balmer lines but with variable strength and timing, suggesting that the bow shock geometry reported in our previous work does not describe the signal from the latest transit. We also demonstrate the use of the Ca ii H and K residual core flux as a proxy for the stellar activity level throughout the transit. A moderate trend is found between the pre-transit absorption signal in the 2013more » data and the Ca ii H flux. This suggests that some of the 2013 pre-transit hydrogen absorption can be attributed to varying stellar activity levels. A very weak correlation is found between the Ca ii H core flux and the Balmer line absorption in the 2015 transit, hinting at a smaller contribution from stellar activity compared to the 2013 transit. We simulate how varying stellar activity levels can produce changes in the Balmer line transmission spectra. These simulations show that the strength of the 2013 and 2015 pre-transit signals can be reproduced by stellar variability. If the pre-transit signature is attributed to circumplanetary material, its evolution in time can be described by accretion clumps spiraling toward the star, although this interpretation has serious limitations. Further high-cadence monitoring at H α is necessary to distinguish between true absorption by transiting material and short-term variations in the stellar activity level.« less

E1 and M1 strength functions at low energy

NASA Astrophysics Data System (ADS)

Schwengner, Ronald; Massarczyk, Ralph; Bemmerer, Daniel; Beyer, Roland; Junghans, Arnd R.; Kögler, Toni; Rusev, Gencho; Tonchev, Anton P.; Tornow, Werner; Wagner, Andreas

2017-09-01

We report photon-scattering experiments using bremsstrahlung at the γELBE facility of Helmholtz-Zentrum Dresden-Rossendorf and using quasi-monoenergetic, polarized γ beams at the HIγS facility of the Triangle Universities Nuclear Laboratory in Durham. To deduce the photoabsorption cross sections at high excitation energy and high level density, unresolved strength in the quasicontinuum of nuclear states has been taken into account. In the analysis of the spectra measured by using bremsstrahlung at γELBE, we perform simulations of statistical γ-ray cascades using the code γDEX to estimate intensities of inelastic transitions to low-lying excited states. Simulated average branching ratios are compared with model-independent branching ratios obtained from spectra measured by using monoenergetic γ beams at HIγS. E1 strength in the energy region of the pygmy dipole resonance is discussed in nuclei around mass 90 and in xenon isotopes. M1 strength in the region of the spin-flip resonance is also considered for xenon isotopes. The dipole strength function of 74Ge deduced from γELBE experiments is compared with the one obtained from experiments at the Oslo Cyclotron Laboratory. The low-energy upbend seen in the Oslo data is interpreted as M1 strength on the basis of shell-model calculations.

The Self-energy Of Growing Aggregates: "Strength Regime"

NASA Astrophysics Data System (ADS)

Guimaraes, Ana H. F.; Spahn, F.; Seiss, M.; Brilliantov, N. V.

2009-09-01

The vivid appearance of the outer regions of Saturn's rings points to a balance of ongoing fragmentation and coagulation processes. This idea finds support especially in the F-ring, where collisional processes occur on an almost daily basis stirred by perturbations of the satellites Prometheus and Pandora, and in addition due the presence of putative moonlets. In order to quantify this balance in a kinetic theory we propose to calculate the resistivity of small agglomerates ("dynamic ephemeral bodies") against rupture due collisional processes and tidal pull. Earlies studies have shown that the resistivity of an aggregate is divided into two phases: "strength regime" and "gravitational regime". Early in their formation, small agglomerates are supported basically by their "glue" between the particles (adhesion) - "strength regime". For larger agglomerates the "gravitational regime" takes over provided their sizes to be bigger than a threshold in which the self-gravitational energy exceeds the adhesive binding energy, in this case the cluster's constituents are held together gravitationally. We calculated the self-energy caused by adhesion and gravity of ring's aggregates which has been considered as the threshold of impact energy or of tidal work to disrupt the agglomerate. Using a Ballistic Particle Cluster Aggregate Model (BPCA) we varied the densities of the aggregates and the size distribution of their constituents (1-10cm), calculated their self-energy and identified the transition between the "strength" to "gravitational regime". The transition between the regimes occurs at house-size aggregates (diameter of approximately 20m), a fact, that fits to the cut-off on the dense rings' main population (cm - 5m in size). Acknowledgments: A.H.F.G. thanks Dr. E. Vieira-Neto for the discussions, and also the DAAD and Uni-Potsdam for the financial support of this project.

A measurement of the vibrational band strength for the v3 band of the HO2 radical

NASA Technical Reports Server (NTRS)

Zahniser, M. S.; Stanton, A. C.

1984-01-01

Laboratory measurements of the v(3) band strength of HO2 using a tunable diode laser to measure the absorption strength of a vibration-rotation line in the P branch near 1080/cm are reported. The HO2 is generated in a discharge-flow system by reaction of fluorine atoms with excess H2O2: F + H2O2 - HO2 + HF. The HO2 concentration is determined from measurements of F-atom concentrations using both chemical titration with Cl2 and tunable diode laser absorption by the F-atom spin-orbit transition near 404/cm. The experimental data are consistent with a value of k(3) = (1.6 + or - 0.3) x 10 to the 12th cu cm/s and a ratio k(4)/k(1) = 1.0 + or - 0.4. The line strength for the 6(15) - 7(16)F(1) transition is 2.9 x 10 to the -21 sq cm/molecule/cm, which corresponds to a v(3) band strength of 35 + or - 9/sq cm/(STP atm). This value is a factor of 1.6 to 6 lower than previous ab initio calculations.

Impacts of Irrigation on Land-Atmosphere Coupling Strength Under Different Evapotranspiration Characteristics

NASA Astrophysics Data System (ADS)

Liao, C. Y.; Lo, M. H.

2017-12-01

The Budyko curve displays that the magnitude of evapotranspiration (ET) is limited mainly by the availabilities of energy and water, i.e., under wet conditions, ET is primarily controlled by the available energy, while under dry conditions, ET is primarily controlled by the available water. Land-atmosphere coupling (LAC) strength, which relates to the Budyko curve, is widely discussed because of its contribution towards the improvement in seasonal climate forecasts. For example, the "hot spots" of LAC, where the soil moisture anomalies strongly affect the local precipitation, are found in the transition zones between wet and dry climates. ET of these transition zones is limited by the available water, but at the same time, the surface latent heat flux is large enough to trigger moist convection. Recently, the impacts of irrigation have gained lots of attention, including the change in LAC. Badger and Dirmeyer (2015) analyzed the climate response of Amazon forest replacement by crop with consideration of irrigation in model simulations, discovering negative relationship between added irrigation water and coupling between the soil moisture and the latent heat flux. In addition, Lu et al. (2017) found remarkable decreases of LAC strength with the increase of irrigated cropland percentage in the Great Plains of America. The two studies show that irrigation is possible to affect land-atmosphere coupling strength. However, whether the irrigation process leads to the reduction of coupling strength in other regions of the world remains unclear. This study aims to compare the differences of irrigation impact on land-atmosphere coupling strength between five selected locations undergoing intense irrigation: India, North China Plain, Southwest Europe, Great Plains and Middle East. The spatial divergence of the factor that limits the ET (e.g., either by the available energy or water) will be the focus in this study. Both offline simulation (Community Land Model) and couple

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.

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

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

Time-varying coupling functions: Dynamical inference and cause of synchronization transitions

NASA Astrophysics Data System (ADS)

Stankovski, Tomislav

2017-02-01

Interactions in nature can be described by their coupling strength, direction of coupling, and coupling function. The coupling strength and directionality are relatively well understood and studied, at least for two interacting systems; however, there can be a complexity in the interactions uniquely dependent on the coupling functions. Such a special case is studied here: synchronization transition occurs only due to the time variability of the coupling functions, while the net coupling strength is constant throughout the observation time. To motivate the investigation, an example is used to present an analysis of cross-frequency coupling functions between delta and alpha brain waves extracted from the electroencephalography recording of a healthy human subject in a free-running resting state. The results indicate that time-varying coupling functions are a reality for biological interactions. A model of phase oscillators is used to demonstrate and detect the synchronization transition caused by the varying coupling functions during an invariant coupling strength. The ability to detect this phenomenon is discussed with the method of dynamical Bayesian inference, which was able to infer the time-varying coupling functions. The form of the coupling function acts as an additional dimension for the interactions, and it should be taken into account when detecting biological or other interactions from data.

Infrared and far-infrared transition frequencies for the CH2 radical. [in interstellar gas clouds

NASA Technical Reports Server (NTRS)

Sears, T. J.; Mckellar, A. R. W.; Bunker, P. R.; Evenson, K. M.; Brown, J. M.

1984-01-01

A list of frequencies and intensities for transitions of CH2 in the middle and far infrared regions is presented which should aid in the detection of CH2 and provide valuable information on the local physical and chemical environment. Results are presented for frequency, vacuum wavelength, and line strength for rotational transition frequencies and for the transition frequencies of the v(2) band.

Multiconfiguration Dirac-Hartree-Fock energy levels, oscillator strengths, transition probabilities, hyperfine constants and Landé g-factor of intermediate Rydberg series in neutral argon atom

NASA Astrophysics Data System (ADS)

Salah, Wa'el; Hassouneh, Ola

2017-04-01

We computed the energy levels, oscillator strengths f_{ij}, the radiative transition rates A_{ij}, the Landé g -factor, the magnetic dipole moment and the electric quadrupole hyperfine constants of the intermediate Rydberg series ns [k]J ( 4 ≤ n ≤ 6), nd [k]J (3 ≤ n ≤ 4), np [k]J (4 ≤ n ≤ 5) relative to the ground state 3p6 1S0 for neutral argon atom spectra. The values are obtained in the framework of the multiconfiguration Dirac-Hartree-Fock (MCDHF) approach. In this approach, Breit interaction, leading quantum electrodynamics (QED) effects and self-energy correction are taken into account. Moreover, these spectroscopic parameters have been calculated for many levels belonging to the configuration 3p54s, 3p55s, 3p56s, 3p53d, 3p54d, 3p54p, 3p55p as well as for transitions between levels 3p54s-3p54p, 3p54p-3p53d, 3p54p-3p55s, 3p55s-3p55p and 3p55p-3p56s. The large majority of the lines from the 4p-5s and 4p-3d, 5s-5p and 5p-6s transition arrays have been observed and the calculations are consistent with the J -file-sum rule. The obtained theoretical values are compared with previous experimental and theoretical data available in the literature. An overall satisfactory agreement is noticed allowing assessing the reliability of our data.

Quality assurance in transition.

PubMed

Blumenfeld, S N

1993-06-01

This paper outlines the early approaches to quality assurance, and its transition from business to health care. It then describes the development of the more recent trends in quality assurance of Total Quality Management and Continuous Quality Improvement and discusses the strengths and weaknesses of these approaches. The paper then goes on to show how these approaches have been modified for application to peripheral health services in developing countries through the work of the Primary Health Care Operations Research Project and the Quality Assurance Project.

Transiting Exoplanet Monitoring Project (TEMP). IV. Refined System Parameters, Transit Timing Variations, and Orbital Stability of the Transiting Planetary System HAT-P-25

NASA Astrophysics Data System (ADS)

Wang, Xian-Yu; Wang, Songhu; Hinse, Tobias C.; Li, Kai; Wang, Yong-Hao; Laughlin, Gregory; Liu, Hui-Gen; Zhang, Hui; Wu, Zhen-Yu; Zhou, Xu; Zhou, Ji-Lin; Hu, Shao-Ming; Wu, Dong-Hong; Peng, Xi-Yan; Chen, Yuan-Yuan

2018-06-01

We present eight new light curves of the transiting extra-solar planet HAT-P-25b obtained from 2013 to 2016 with three telescopes at two observatories. We use the new light curves, along with recent literature material, to estimate the physical and orbital parameters of the transiting planet. Specifically, we determine the mid-transit times (T C ) and update the linear ephemeris, T C[0] = 2456418.80996 ± 0.00025 [BJDTDB] and P = 3.65281572 ± 0.00000095 days. We carry out a search for transit timing variations (TTVs), and find no significant TTV signal at the ΔT = 80 s-level, placing a limit on the possible strength of planet–planet interactions (TTVG). In the course of our analysis, we calculate the upper mass-limits of the potential nearby perturbers. Near the 1:2, 2:1, and 3:1 resonances with HAT-P-25b, perturbers with masses greater than 0.5, 0.3, and 0.5 M ⊕ respectively, can be excluded. Furthermore, based on the analysis of TTVs caused by light travel time effect (LTTE) we also eliminate the possibility that a long-period perturber exists with M p > 3000 MJ within a = 11.2 au of the parent star.

Magnetic phase transition in layered inorganic-organic hybrid (C12H25NH3)2CuCl4

NASA Astrophysics Data System (ADS)

Bochalya, Madhu; Kumar, Sunil; Kanaujia, Pawan K.; Prakash, G. Vijaya

2018-05-01

Inorganic-organic (IO) hybrids are material systems which have become an interesting theme of research for physicist and chemists recently due to the possibility of engineering specific magnetic, thermal or optoelectronic properties by playing around with the transition metal, halides and the organic components. Our experiments on (C12H25NH3)2CuCl4 show that the system exhibits a long range ferromagnetic order below ˜11 K. In such an inorganic-organic hybrid system, Jahn-Teller distortion of the copper ions results into a weak ferromagnetic order as compared to the antiferromagnetic spin-spin exchange in the pure inorganic CuCl2 compound. Moreover, this particular hybrid system also exhibits photoluminescence when excited below absorption maximum related to charge transfer peak though the effect is much weaker as compared to that in extensively studied other MX4-based (M = Sn, Pb; X = Cl, Br, I) counterparts.

Microstructural evolution and mechanical characterization for the A508-3 steel before and after phase transition

NASA Astrophysics Data System (ADS)

Lu, Chuanyang; He, Yanming; Gao, Zengliang; Yang, Jianguo; Jin, Weiya; Xie, Zhigang

2017-11-01

Nuclear power, as a reliable clean and economical energy source, has gained great attention from all over the world. The A508-3 steel will be introduced as the structural materials for Chinese nuclear reactor pressure vessels (RPVs). This work investigated the temperature-dependence microstructural evolution during high-temperature heat treatments, and built the relationship between the microstructure and mechanical properties for the steel before and after phase transition. The results show that the original steel consists of the bainite, allotriomorphic ferrite, retained austenite and few Mo-rich M2C carbides. The phase-transition temperature of the steel is determined to be 750 °C. The tensile tests performed at 20-1000 °C indicate that both of the yield strength and ultimate tensile strength decrease monotonously with increasing the temperature. Before phase transition, precipitation of cementite from the retained austenite and coarsening of cementite at the austenite-ferrite interphases should be responsible for their sharp decrease. After phase transition, the growth of austenite grain reduces the strength moderately. As for the elongation, however, it increases dramatically when the testing temperature is over 750 °C, due to the dissolution of cementite and formation of austenite. The obtained results will provide some fundamental data to understand and implement the In-Vessel Retention strategy.

Vibration response of buildings to rail transit groundborne vibration

NASA Astrophysics Data System (ADS)

Phillips, James

2005-09-01

The FTA guidelines for detailed analysis and prediction of groundborne noise and vibration generated by rail transit systems are based on established empirical methods. The procedures for the measurement of vehicle/track system source strength and the attenuation of vibration as it propagates with distance through the ground are generally accepted practice at this time. However, characterization of the building response is open to debate, due in part to the wide array of building construction encountered adjacent to transit systems. Numerous measurements that have been obtained in a variety of building construction types are presented and preliminary conclusions are drawn regarding the responses of several common building types to rail transit groundborne vibration.

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

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

Towards Bridging the Gaps in Holistic Transition Prediction via Numerical Simulations

NASA Technical Reports Server (NTRS)

Choudhari, Meelan M.; Li, Fei; Duan, Lian; Chang, Chau-Lyan; Carpenter, Mark H.; Streett, Craig L.; Malik, Mujeeb R.

2013-01-01

The economic and environmental benefits of laminar flow technology via reduced fuel burn of subsonic and supersonic aircraft cannot be realized without minimizing the uncertainty in drag prediction in general and transition prediction in particular. Transition research under NASA's Aeronautical Sciences Project seeks to develop a validated set of variable fidelity prediction tools with known strengths and limitations, so as to enable "sufficiently" accurate transition prediction and practical transition control for future vehicle concepts. This paper provides a summary of selected research activities targeting the current gaps in high-fidelity transition prediction, specifically those related to the receptivity and laminar breakdown phases of crossflow induced transition in a subsonic swept-wing boundary layer. The results of direct numerical simulations are used to obtain an enhanced understanding of the laminar breakdown region as well as to validate reduced order prediction methods.

The dynamic and geometric phase transition in the cellular network of pancreatic islet

NASA Astrophysics Data System (ADS)

Wang, Xujing

2013-03-01

The pancreatic islet is a micro-organ that contains several thousands of endocrine cells, majority of which being the insulin releasing β - cells . - cellsareexcitablecells , andarecoupledtoeachother through gap junctional channels. Here, using percolation theory, we investigate the role of network structure in determining the dynamics of the β-cell network. We show that the β-cell synchronization depends on network connectivity. More specifically, as the site occupancy is reducing, initially the β-cell synchronization is barely affected, until it reaches around a critical value, where the synchronization exhibit a sudden rapid decline, followed by an slow exponential tail. This critical value coincides with the critical site open probability for percolation transition. The dependence over bond strength is similar, exhibiting critical-behavior like dependence around a certain value of bond strength. These results suggest that the β-cell network undergoes a dynamic phase transition when the network is percolated. We further apply the findings to study diabetes. During the development of diabetes, the β - cellnetworkconnectivitydecreases . Siteoccupancyreducesfromthe reducing β-cell mass, and the bond strength is increasingly impaired from β-cell stress and chronic hyperglycemia. We demonstrate that the network dynamics around the percolation transition explain the disease dynamics around onset, including a long time mystery in diabetes, the honeymoon phenomenon.

Transitions induced by speed in self-propelled particles system with attractive interactions

NASA Astrophysics Data System (ADS)

Cambui, Dorilson. S.; Rosas, Alexandre

2018-05-01

In this work, we consider a system of self-propelled particles with attractive interactions in two dimensions. The model presents an order-disorder transition with the speed playing the role of the control parameter. In order to characterize the transition, we investigate the behavior of the order parameter and the Binder cumulant as a function of the speed. Our main finding is that the transition can be either continuous or discontinuous depending on two parameter of the model: the strength of the noise and the radius of attraction.

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.

Tunable 0-π transition by interband coupling in iron-based superconductor Josephson junctions

NASA Astrophysics Data System (ADS)

Tao, Y. C.; Liu, S. Y.; Bu, N.; Wang, J.; Di, Y. S.

2016-01-01

An extended four-component Bogoliubov-de Gennes equation is applied to study the Josephson effect in ballistic limit between either two iron-based superconductors (SCs) or an iron-based SC and a conventional s-wave SC, separated by a normal metal. A 0-π transition as a function of interband coupling strength α is always exhibited, arising from the tuning of mixing between the two trajectories with opposite phases. The novel property can be experimentally used to discriminate the {s}+/- -wave pairing symmetry in the iron-based SCs from the {s}++-wave one in MgB2. The effect of interface transparency on the 0-π transition is also presented. The 0-π transition as a function of α is wholly distinct from that as a function of barrier strength or temperature in recent theories (Linder et al 2009 Phys. Rev. B 80 020503(R)). The possible experimental probe of the phase-shift effect in iron-based SC Josephson junctions is commented on as well.

Project ASSIST: Action Strategies for Implementing Social Transition.

ERIC Educational Resources Information Center

Urban League of Greater New Orleans, LA.

Project ASSIST (Action Strategies for Implementing Social Transition) is an attempt to assess the needs, concerns, problems, strengths, and preferences of low income area residents within the city of New Orleans by developing primary based data. This report presents the findings of two major surveys, in which 1,306 households in eight low income…

Energy Landscape and Transition State of Protein-Protein Association

NASA Astrophysics Data System (ADS)

Alsallaq, Ramzi; Zhou, Huan-Xiang

2006-11-01

Formation of a stereospecific protein complex is favored by specific interactions between two proteins but disfavored by the loss of translational and rotational freedom. Echoing the protein folding process, we have previously proposed a transition state for protein-protein association. Here we clarify the specification of the transition state by working with two toy models for protein association. The models demonstrate that a sharp transition between the bound state with numerous short-range interactions but restricted translation and rotational freedom and the unbound state with at most a small number of interactions but expanded configurational freedom. This transition sets the outer boundary of the bound state as well as the transition state for association. The energy landscape is funnel-like, with the deep well of the bound state surrounded by a broad shallow basin. This formalism of protein-protein association is applied to four protein-protein complexes, and is found to give accurate predictions for the effects of charge mutations and ionic strength on the association rates.

Pressure induced phase transitions in ceramic compounds containing tetragonal zirconia

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

Sparks, R.G.; Pfeiffer, G.; Paesler, M.A.

Stabilized tetragonal zirconia compounds exhibit a transformation toughening process in which stress applied to the material induces a crystallographic phase transition. The phase transition is accompanied by a volume expansion in the stressed region thereby dissipating stress and increasing the fracture strength of the material. The hydrostatic component of the stress required to induce the phase transition can be investigated by the use of a high pressure technique in combination with Micro-Raman spectroscopy. The intensity of Raman lines characteristic for the crystallographic phases can be used to calculate the amount of material that has undergone the transition as a functionmore » of pressure. It was found that pressures on the order of 2-5 kBar were sufficient to produce an almost complete transition from the original tetragonal to the less dense monoclinic phase; while a further increase in pressure caused a gradual reversal of the transition back to the original tetragonal structure.« less

Giant Transiting Planets Observations - GITPO

NASA Astrophysics Data System (ADS)

Afonso, C.

2006-08-01

The search for extrasolar planets is nowadays one of the most promising science drivers in Astronomy. The radial velocity technique proved to be successful in planet hunting, harvesting more than a hundred planets to date. In these last years, the transit method has come to fruition, with the detection of seven Jupiter-mass extrasolar transiting planets in close-in orbits (< 0.05 AU). Currently, the radius of planets can only be determined from transiting planets, representing the principal motivation and strength of this technique. The MPIA is presently building the Large Area Imager (LAIWO) for the 1m telescope in the Wise Observatory, Israel. LAIWO will have a field of view of one square degree. An intensive search for extra-solar planets will be performed with the 1m Wise telecope, together with the 1.2m MONET telescope in Texas. We will monitor three fields at a given time during three years and more than 200 nights per year. We expect several dozens of extra-solar planets.

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

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

Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong, E-mail: xsli@uw.edu

2015-12-21

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strengthmore » can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.« less

Experimental and Numerical Investigations on Strength and Deformation Behavior of Cataclastic Sandstone

NASA Astrophysics Data System (ADS)

Zhang, Y.; Shao, J. F.; Xu, W. Y.; Zhao, H. B.; Wang, W.

2015-05-01

This work is devoted to characterization of the deformation and strength properties of cataclastic sandstones. Before conducting mechanical tests, the physical properties were first examined. These sandstones are characterized by a loose damaged microstructure and poorly cemented contacts. Then, a series of mechanical tests including hydrostatic, uniaxial, and triaxial compression tests were performed to study the mechanical strength and deformation of the sandstones. The results obtained show nonlinear stress-strain responses. The initial microcracks are closed at hydrostatic stress of 2.6 MPa, and the uniaxial compressive strength is about 0.98 MPa. Under triaxial compression, there is a clear transition from volumetric compressibility to dilatancy and a strong dependency on confining pressure. Based on the experimental evidence, an elastoplastic model is proposed using a linear yield function and a nonassociated plastic potential. There is good agreement between numerical results and experimental data.

Oscillatory mode transition for supersonic open cavity flows

NASA Astrophysics Data System (ADS)

Kumar, Mayank; Vaidyanathan, Aravind

2018-02-01

The transition in the primary oscillatory mode in an open cavity has been experimentally investigated and the associated characteristics in a Mach 1.71 flow has been analyzed. The length-to-depth (L/D) ratios of the rectangular cavities are varied from 1.67 to 3.33. Unsteady pressure measurement and flow visualization are employed to understand the transitional flow physics. Flow visualization revealed the change in oscillation pattern from longitudinal mode to transverse mode and is also characterized by the presence of two bow shocks at the trailing edge instead of one. The transition is found to occur between L/D 1.67 and 2, marked by a change in the feedback mechanism, resulting in a shift from the vortex circulation driven transverse feedback mode to the oscillating shear layer driven longitudinal feedback mode. Cavities oscillating in the transition mode exhibit multiple tones of comparable strength. Correlation analysis indicated the shift in the feedback mechanism. Wavelet analysis revealed the temporal behaviour of tones during transition. Tone switching is observed in deeper cavities and is attributed to the occurrence of two bow shocks as evident from the temporo-spectral characteristics of transition that affects the shear layer modal shape.

Molecular Origins of Thermal Transitions in Polyelectrolyte Assemblies

NASA Astrophysics Data System (ADS)

Yildirim, Erol; Zhang, Yanpu; Antila, Hanne S.; Lutkenhaus, Jodie L.; Sammalkorpi, Maria; Aalto Team; Texas A&M Team

2015-03-01

Polyelectrolyte (PE) multilayers and complexes formed from oppositely charged polymers can exhibit extraordinary superhydrophobicity, mechanical strength and responsiveness resulting in applications ranging functional membranes, optics, sensors and drug delivery. Depending on the assembly conditions, PE assemblies may undergo a thermal transition from glassy to soft behavior under heating. Our earlier work using thermal analysis measurements shows a distinct thermal transition for PE layer-by-layer (LbL) systems assembled with added salt but no analogous transition in films assembled without added salt or dry systems. These findings raise interesting questions on the nature of the thermal transition; here, we explore its molecular origins through characterization of the PE aggregates by temperature-controlled all-atom molecular dynamics simulations. We show via molecular simulations the thermal transition results from the existence of an LCST (lower critical solution temperature) in the PE systems: the diffusion behavior, hydrogen bond formation, and bridging capacity of water molecules plasticizing the complex changes at the transition temperature. We quantify the behavior, map its chemistry specificity through comparison of strongly and weakly charged PE complexes, and connect the findings to our interrelated QCM-D experiments.

fcc-bcc phase transition in plasma crystals using time-resolved measurements

NASA Astrophysics Data System (ADS)

Dietz, C.; Bergert, R.; Steinmüller, B.; Kretschmer, M.; Mitic, S.; Thoma, M. H.

2018-04-01

Three-dimensional plasma crystals are often described as Yukawa systems for which a phase transition between the crystal structures fcc and bcc has been predicted. However, experimental investigations of this transition are missing. We use a fast scanning video camera to record the crystallization process of 70 000 microparticles and investigate the existence of the fcc-bcc phase transition at neutral gas pressures of 30, 40, and 50 Pa. To analyze the crystal, robust phase diagrams with the help of a machine learning algorithm are calculated. This work shows that the phase transition can be investigated experimentally and makes a comparison with numerical results of Yukawa systems. The phase transition is analyzed in dependence on the screening parameter and structural order. We suggest that the transition is an effect of gravitational compression of the plasma crystal. Experimental investigations of the fcc-bcc phase transition will provide an opportunity to estimate the coupling strength Γ by comparison with numerical results of Yukawa systems.

Enhanced charge ordering transition in doped CaFeO3 through steric templating

NASA Astrophysics Data System (ADS)

Jiang, Lai; Saldana-Greco, Diomedes; Schick, Joseph T.; Rappe, Andrew M.

2014-06-01

We report a density functional theory investigation of B-site doped CaFeO3, a prototypical charge ordered perovskite. At 290 K, CaFeO3 undergoes a metal-insulator transition and a charge disproportionation reaction 2Fe4+→Fe5++Fe3+. We observe that when Zr dopants occupy a (001) layer, the band gap of the resulting solid solution increases to 0.93 eV due to a two-dimensional Jahn-Teller-type distortion, where FeO6 cages on the xy plane elongate along x and y alternatively between neighboring Fe sites. Furthermore, we show that the rock-salt ordering of the Fe5+ and Fe3+ cations can be enhanced when the B-site dopants are arranged in a (111) plane due to a collective steric effect that facilitates the size discrepancy between the Fe5+O6 and Fe3+O6 octahedra and therefore gives rise to a larger band gap. The enhanced charge disproportionation in these solid solutions is verified by rigorously calculating the oxidation states of the Fe cations with different octahedral cage sizes. We therefore predict that the corresponding transition temperature will increase due to the enhanced charge ordering and larger band gap. The compositional, structural, and electrical relationships exploited in this paper can be extended to a variety of perovskites and nonperovskite oxides, providing guidance in the structural manipulation of electrical properties of functional materials.

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

Ionic and Covalent Stabilization of Intermediates and Transition States in Catalysis by Solid Acids

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

Deshlahra, Prashant; Carr, Robert T.; Iglesia, Enrique

Reactivity descriptors describe catalyst properties that determine the stability of kinetically relevant transition states and adsorbed intermediates. Theoretical descriptors, such as deprotonation energies (DPE), rigorously account for Brønsted acid strength for catalytic solids with known structure. Here, mechanistic interpretations of methanol dehydration turnover rates are used to assess how charge reorganization (covalency) and electrostatic interactions determine DPE and how such interactions are recovered when intermediates and transition states interact with the conjugate anion in W and Mo polyoxometalate (POM) clusters and gaseous mineral acids. Turnover rates are lower and kinetically relevant species are less stable on Mo than W POMmore » clusters with similar acid strength, and such species are more stable on mineral acids than that predicted from W-POM DPE–reactivity trends, indicating that DPE and acid strength are essential but incomplete reactivity descriptors. Born–Haber thermochemical cycles indicate that these differences reflect more effective charge reorganization upon deprotonation of Mo than W POM clusters and the much weaker reorganization in mineral acids. Such covalency is disrupted upon deprotonation but cannot be recovered fully upon formation of ion pairs at transition states. Predictive descriptors of reactivity for general classes of acids thus require separate assessments of the covalent and ionic DPE components. Here, we describe methods to estimate electrostatic interactions, which, taken together with energies derived from density functional theory, give the covalent and ionic energy components of protons, intermediates, and transition states. In doing so, we provide a framework to predict the reactive properties of protons for chemical reactions mediated by ion-pair transition states.« less

Refractive index effects on the oscillator strength and radiative decay rate of 2,3-diazabicyclo[2.2.2]oct-2-ene.

PubMed

Mohanty, Jyotirmayee; Nau, Werner M

2004-01-01

The photophysical properties of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) were determined in 15 solvents, two supramolecular hosts (cucurbit[7]uril and beta-cyclodextrin) as well as in the gas phase. The oscillator strength and radiative decay rate of DBO as a function of refractive index i.e. polarizability have been analyzed. The oscillator strength increases by a factor of 10 upon going from the gas phase to the most polarizable carbon disulfide, while the corresponding radiative decay rates increase by a factor of 40. There is a good empirical correlation between the oscillator strength of the weakly allowed n,pi* transition of DBO and the reciprocal bulk polarizability, which can be employed to assess the polarizability of unknown microheterogeneous environments. A satisfactory correlation between the radiative decay rate and the square of the refractive index is also found, as previously documented for chromophores with allowed transitions. However, the correlation improves significantly when the oscillator strength is included in the correlation, which demonstrates the importance of this factor in the Strickler-Berg equation for chromophores with forbidden or weakly allowed transitions, for which the oscillator strength may be strongly solvent dependent. The radiative decay rate of DBO in two supramolecular assemblies has been determined, confirming the very low polarizability inside the cucurbituril cavity, in between perfluorohexane and the gas phase. The fluorescence quantum yield of DBO in the gas phase has been remeasured (5.1 +/- 0.5%) and was found to fall one full order of magnitude below a previously reported value.

The Rydberg electronic transitions of the hydrogen molecule

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

Babb, J.F.; Chang, E.S.

1992-01-01

Transition energies and relative line strengths, without Boltzmann weighting, for the electric dipole transitions between Rydberg states n{prime}L{prime} and nL of the hydrogen molecule (one electron in a near-hydrogenic state of high n and L, with n the principal quantum number and L the orbital angular momentum quantum number of the electron) are calculated. Since the H{sup +}{sub 2} core is loosely coupled to the Rydberg electron, numerous lines occur, depending on the vector sum of L and the core rotational angular momentum. For the core vibrational quantum numbers v = 0 to 5 the strongest lines among the P,more » Q, and R branches for the lowest 12 core rotational levels are given for the particular transition arrays 6h-5g, 8i-6h, 7i-6h, 8k-7i, and 9l-8k, for which transitions occur in the wave number range 350 to 1,400 cm {sup {minus}1}.« less

Study of photon strength functions via (γ→, γ', γ″) reactions at the γ3-setup

NASA Astrophysics Data System (ADS)

Isaak, Johann; Savran, Deniz; Beck, Tobias; Gayer, Udo; Krishichayan; Löher, Bastian; Pietralla, Norbert; Scheck, Marcus; Tornow, Werner; Werner, Volker; Zilges, Andreas

2018-05-01

One of the basic ingredients for the modelling of the nucleosynthesis of heavy elements are so-called photon strength functions and the assumption of the Brink-Axel hypothesis. This hypothesis has been studied for many years by numerous experiments using different and complementary reactions. The present manuscript aims to introduce a model-independent approach to study photon strength functions via γ-γ coincidence spectroscopy of photoexcited states in 128Te. The experimental results provide evidence that the photon strength function extracted from photoabsorption cross sections is not in an overall agreement with the one determined from direct transitions to low-lying excited states.

Molecular-orbital model for metal-sapphire interfacial strength

NASA Technical Reports Server (NTRS)

Johnson, K. H.; Pepper, S. V.

1982-01-01

Self-consistent-field X-Alpha scattered-wave cluster molecular-orbital models have been constructed for transition and noble metals (Fe, Ni, Cu, and Ag) in contact with a sapphire (Al2O3) surface. It is found that a chemical bond is established between the metal d-orbital electrons and the nonbonding 2p-orbital electrons of the oxygen anions on the Al2O3 surface. An increasing number of occupied metal-sapphire antibonding molecular orbitals explains qualitatively the observed decrease of contact shear strength through the series Fe, Ni, Cu, and Ag.

Mechanisms of degradation in adhesive joint strength: Glassy polymer thermoset bond in a humid environment

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

Kropka, Jamie Michael; Adolf, Douglas Brian; Spangler, Scott Wilmer

The degradation in the strength of napkin-ring (NR) joints bonded with an epoxy thermoset is evaluated in a humid environment. While adherend composition (stainless steel and aluminum) and surface preparation (polished, grit blasted, primed, coupling agent coated) do not affect virgin (time=0) joint strength, they can significantly affect the role of moisture on the strength of the joint. Adherend surface abrasion and corrosion processes are found to be key factors in determining the reliability of joint strength in humid environments. In cases where surface specific joint strength degradation processes are not active, decreases in joint strength can be accounted formore » by the glass transition temperature, T g, depression of the adhesive associated with water sorption. Under these conditions, joint strength can be rejuvenated to virgin strength by drying. In addition, the decrease in joint strength associated with water sorption can be predicted by the Simplified Potential Energy Clock (SPEC) model by shifting the adhesive reference temperature, T ref, by the same amount as the T g depression. When surface specific degradation mechanisms are active, they can reduce joint strength below that associated with adhesive T g depression, and joint strength is not recoverable by drying. Furthermore, a critical relative humidity (or, potentially, critical water sorption concentration), below which the surface specific degradation does not occur, appears to exist for the polished stainless steel joints.« less

Mechanisms of degradation in adhesive joint strength: Glassy polymer thermoset bond in a humid environment

DOE PAGES

Kropka, Jamie Michael; Adolf, Douglas Brian; Spangler, Scott Wilmer; ...

2015-08-06

The degradation in the strength of napkin-ring (NR) joints bonded with an epoxy thermoset is evaluated in a humid environment. While adherend composition (stainless steel and aluminum) and surface preparation (polished, grit blasted, primed, coupling agent coated) do not affect virgin (time=0) joint strength, they can significantly affect the role of moisture on the strength of the joint. Adherend surface abrasion and corrosion processes are found to be key factors in determining the reliability of joint strength in humid environments. In cases where surface specific joint strength degradation processes are not active, decreases in joint strength can be accounted formore » by the glass transition temperature, T g, depression of the adhesive associated with water sorption. Under these conditions, joint strength can be rejuvenated to virgin strength by drying. In addition, the decrease in joint strength associated with water sorption can be predicted by the Simplified Potential Energy Clock (SPEC) model by shifting the adhesive reference temperature, T ref, by the same amount as the T g depression. When surface specific degradation mechanisms are active, they can reduce joint strength below that associated with adhesive T g depression, and joint strength is not recoverable by drying. Furthermore, a critical relative humidity (or, potentially, critical water sorption concentration), below which the surface specific degradation does not occur, appears to exist for the polished stainless steel joints.« less

The fracture strength and frictional strength of Weber Sandstone

USGS Publications Warehouse

Byerlee, J.D.

1975-01-01

The fracture strength and frictional strength of Weber Sandstone have been measured as a function of confining pressure and pore pressure. Both the fracture strength and the frictional strength obey the law of effective stress, that is, the strength is determined not by the confining pressure alone but by the difference between the confining pressure and the pore pressure. The fracture strength of the rock varies by as much as 20 per cent depending on the cement between the grains, but the frictional strength is independent of lithology. Over the range 0 2 kb, ??=0??5 + 0??6??n. This relationship also holds for other rocks such as gabbro, dunite, serpentinite, granite and limestone. ?? 1975.

Improving Parolees' Participation in Drug Treatment and Other Services through Strengths Case Management.

PubMed

Prendergast, Michael; Cartier, Jerome J

2008-01-01

In an effort to increase participation in community aftercare treatment for substance-abusing parolees, an intervention based on a transitional case management (TCM) model that focuses mainly on offenders' strengths has been developed and is under testing. This model consists of completion, by the inmate, of a self-assessment of strengths that informs the development of the continuing care plan, a case conference call shortly before release, and strengths case management for three months post-release to promote retention in substance abuse treatment and support the participant's access to designated services in the community. The post-release component consists of a minimum of one weekly client/case manager meeting (in person or by telephone) for 12 weeks. The intervention is intended to improve the transition process from prison to community at both the individual and systems level. Specifically, the intervention is designed to improve outcomes in parolee admission to, and retention in, community-based substance-abuse treatment, parolee access to other needed services, and recidivism rates during the first year of parole. On the systems level, the intervention is intended to improve the communication and collaboration between criminal justice agencies, community-based treatment organizations, and other social and governmental service providers. The TCM model is being tested in a multisite study through the Criminal Justice Drug Abuse Treatment Studies (CJ-DATS) research cooperative funded by the National Institute of Drug Abuse.

Notch strengthening or weakening governed by transition of shear failure to normal mode fracture

PubMed Central

Lei, Xianqi; Li, Congling; Shi, Xinghua; Xu, Xianghong; Wei, Yujie

2015-01-01

It is generally observed that the existence of geometrical discontinuity like notches in materials will lead to strength weakening, as a resultant of local stress concentration. By comparing the influence of notches to the strength of three typical materials, aluminum alloys with intermediate tensile ductility, metallic glasses with no tensile ductility, and brittle ceramics, we observed strengthening in aluminum alloys and metallic glasses: Tensile strength of the net section in circumferentially notched cylinders increases with the constraint quantified by the ratio of notch depth over notch root radius; in contrast, the ceramic exhibit notch weakening. The strengthening in the former two is due to resultant deformation transition: Shear failure occurs in intact samples while samples with deep notches break in normal mode fracture. No such deformation transition was observed in the ceramic, and stress concentration leads to its notch weakening. The experimental results are confirmed by theoretical analyses and numerical simulation. The results reported here suggest that the conventional criterion to use brittleness and/or ductility to differentiate notch strengthening or weakening is not physically sound. Notch strengthening or weakening relies on the existence of failure mode transition and materials exhibiting shear failure while subjected to tension will notch strengthen. PMID:26022892

Dewetting and spreading transitions for active matter on random pinning substrates.

PubMed

Sándor, Cs; Libál, A; Reichhardt, C; Olson Reichhardt, C J

2017-05-28

We show that sterically interacting self-propelled disks in the presence of random pinning substrates exhibit transitions among a variety of different states. In particular, from a phase separated cluster state, the disks can spread out and homogeneously cover the substrate in what can be viewed as an example of an active matter wetting transition. We map the location of this transition as a function of activity, disk density, and substrate strength, and we also identify other phases including a cluster state, coexistence between a cluster and a labyrinth wetted phase, and a pinned liquid. Convenient measures of these phases include the cluster size, which dips at the wetting-dewetting transition, and the fraction of sixfold coordinated particles, which drops when dewetting occurs.

Strength and texture of sodium chloride to 56 GPa

NASA Astrophysics Data System (ADS)

Mi, Z.; Shieh, S. R.; Kavner, A.; Kiefer, B.; Wenk, H.-R.; Duffy, T. S.

2018-04-01

The strength and texture of sodium chloride in the B1 (rocksalt) and B2 (cesium chloride) phases were investigated in a diamond anvil cell using synchrotron X-ray diffraction in a radial geometry to 56 GPa. The measured differential stresses within the Reuss limit are in the range of 0.2 GPa for the B1 phase at pressure of 24 GPa and 1.6 GPa for the B2 phase at pressure of 56 GPa. A strength weakening is observed near the B1-B2 phase transition at about 30 GPa. The low strength of NaCl in the B1 phase confirms that it is an effective pressure-transmitting medium for high-pressure experiments to ˜30 GPa. The B2 phase can be also used as a pressure-transmitting medium although it exhibits a steeper increase in strength with pressure than the B1 phase. Deformation induces weak lattice preferred orientation in NaCl, showing a (100) texture in the B1 phase and a (110) texture in the B2 phase. The observed textures were evaluated by viscoplastic self-consistent model and our results suggest {110}⟨ 1 1 ¯ 0 ⟩ as the slip system for the B1 phase and {112} ⟨1 1 ¯ 0 ⟩ for the B2 phase.

A Decade of H α Transits for HD 189733 b: Stellar Activity versus Absorption in the Extended Atmosphere

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

Cauley, P. Wilson; Redfield, Seth; Jensen, Adam G., E-mail: pcauley@wesleyan.edu

HD 189733 b is one of the most well studied exoplanets due to its large transit depth and host star brightness. The focus on this object has produced a number of high-cadence transit observations using high-resolution optical spectrographs. Here we present an analysis of seven full H α transits of HD 189733 b using HARPS on the 3.6 meter La Silla telescope and HIRES on Keck I, taken over the course of nine years from 2006 to 2015. H α transmission signals are analyzed as a function of the stellar activity level, as measured using the normalized core flux ofmore » the Ca ii H and K lines. We find strong variations in the strength of the H α transmission spectrum from epoch to epoch. However, there is no clear trend between the Ca ii core emission and the strength of the in-transit H α signal, although the transit showing the largest absorption value also occurs when the star is the most active. We present simulations of the in-transit contrast effect and find that the planet must consistently transit active latitudes with very strong facular and plage emission regions in order to reproduce the observed line strengths. We also investigate the measured velocity centroids with models of planetary rotation and show that the small line profile velocities could be due to large velocities in the upper atmosphere of the planet. Overall, we find it more likely that the measured H α signals arise in the extended planetary atmosphere, although a better understanding of active region emission for active stars such as HD 189733 is needed.« less

A new Morse-oscillator based Hamiltonian for H 3+: Calculation of line strengths

NASA Astrophysics Data System (ADS)

Jensen, Per; Špirko, V.

1986-07-01

In two recent publications [V. Špirko, P. Jensen, P. R. Bunker, and A. Čejchan, J. Mol. Spectrosc.112, 183-202 (1985); P. Jensen, V. Špirko, and P. R. Bunker, J. Mol. Spectrosc.115, 269-293 (1986)], we have described the development of Morse oscillator adapted rotation-vibration Hamiltonians for equilateral triangular X3 and Y2X molecules, and we have used these Hamiltonians to calculate the rotation-vibration energies for H 3+ and its X3+ and Y2X+ isotopes from ab initio potential energy functions. The present paper presents a method for calculating rotation-vibration line strengths of H 3+ and its isotopes using an ab initio dipole moment function [G. D. Carney and R. N. Porter, J. Chem. Phys.60, 4251-4264 (1974)] together with the energies and wave-functions obtained by diagonalization of the Morse oscillator adapted Hamiltonians. We use this method for calculating the vibrational transition moments involving the lowest vibrational states of H 3+, D 3+, H 2D +, and D 2H +. Further, we calculate the line strengths of the low- J transitions in the rotational spectra of H 3+ in the vibrational ground state and in the ν1 and ν2 states. We hope that the calculations presented will facilitate the search for further rotation-vibration transitions of H 3+ and its isotopes.

Multi-scale kinetics of a field-directed colloidal phase transition.

PubMed

Swan, James W; Vasquez, Paula A; Whitson, Peggy A; Fincke, E Michael; Wakata, Koichi; Magnus, Sandra H; De Winne, Frank; Barratt, Michael R; Agui, Juan H; Green, Robert D; Hall, Nancy R; Bohman, Donna Y; Bunnell, Charles T; Gast, Alice P; Furst, Eric M

2012-10-02

Polarizable colloids are expected to form crystalline equilibrium phases when exposed to a steady, uniform field. However, when colloids become localized this field-induced phase transition arrests and the suspension persists indefinitely as a kinetically trapped, percolated structure. We anneal such gels formed from magneto-rheological fluids by toggling the field strength at varied frequencies. This processing allows the arrested structure to relax periodically to equilibrium--colloid-rich, cylindrical columns. Two distinct growth regimes are observed: one in which particle domains ripen through diffusive relaxation of the gel, and the other where the system-spanning structure collapses and columnar domains coalesce apparently through field-driven interactions. There is a stark boundary as a function of magnetic field strength and toggle frequency distinguishing the two regimes. These results demonstrate how kinetic barriers to a colloidal phase transition are subverted through measured, periodic variation of driving forces. Such directed assembly may be harnessed to create unique materials from dispersions of colloids.

Development of a High-Strength Ultrafine-Grained Ferritic Steel Nanocomposite

NASA Astrophysics Data System (ADS)

Rahmanifard, Roohollah; Farhangi, Hasan; Novinrooz, Abdul Javad; Moniri, Samira

2013-02-01

This article describes the microstructural and mechanical properties of 12YWT oxide-dispersion-strengthened (ODS)-ferritic steel nanocomposite. According to the annealing results obtained from X-ray diffraction line profile analysis on mechanically alloyed powders milled for 80 hours, the hot extrusion at 1123 K (850 °C) resulted in a nearly equiaxed ultrafine structure with an ultimate tensile strength of 1470 MPa, yield strength of 1390 MPa, and total elongation of 13 pct at room temperature comparable with high-strength 14YWT ODS steel. Maximum total elongation was found at 973 K (600 °C) where fractography of the tensile specimen showed a fully ductile dimple feature compared with the splitting cracks and very fine dimpled structure observed at room temperature. The presence of very small particles on the wall of dimples at 1073 K (800 °C) with nearly chemical composition of the matrix alloy was attributed to the activation of the boundaries decohesion mechanism as a result of diffusion of solute atoms. The results of Charpy impact test also indicated significant improvement of transition temperature with respect to predecessor 12YWT because of the decreased grain size and more homogeneity of grain size distribution. Hence, this alloy represented a good compromise between the strength and Charpy impact properties.

Behaviour of rippled shocks from ablatively-driven Richtmyer-Meshkov in metals accounting for strength

DOE PAGES

Opie, S.; Gautam, S.; Fortin, E.; ...

2016-05-26

While numerous continuum material strength and phase transformation models have been proposed to capture their complex dependences on intensive properties and deformation history, few experimental methods are available to validate these models particularly in the large pressure and strain rate regime typical of strong shock and ramp dynamic loading. In the experiments and simulations we present, a rippled shock is created by laser-ablation of a periodic surface perturbation on a metal target. The strength of the shock can be tuned to access phase transitions in metals such as iron or simply to study high-pressure strength in isomorphic materials such asmore » copper. Simulations, with models calibrated and validated to the experiments, show that the evolution of the amplitude of imprinted perturbations on the back surface by the rippled shock is strongly affected by strength and phase transformation kinetics. Increased strength has a smoothing effect on the perturbed shock front profile resulting in smaller perturbations on the free surface. Lastly, in iron, faster phase transformations kinetics had a similar effect as increased strength, leading to smoother pressure contours inside the samples and smaller amplitudes of free surface perturbations in our simulations.« less

Development of ductile high-strength chromium alloys, phase 2

NASA Technical Reports Server (NTRS)

Filippi, A. M.

1973-01-01

Strength and ductility were evaluated for chromium alloys dispersion hardened with the putative TaC, TaB, CbC, and CbB compounds. TaC and TaB proved to be the most potent strengtheners, but when combined, their effect far outweighed that produced individually. Tests at 1422 K (2100 F) on an alloy containing these two compounds at the combined level of 0.5 m/o revealed a 495 MN/sq m (70 ksi) tensile strength for wrought material, and a 100 hour rupture strength of 208 MN/sq m (30 ksi) when solution annealed and aged to maximize creep resistance. These levels of high temperature strength greatly exceed that reported for any other chromium-base alloy. The ductile-to-brittle transition temperature (DBTT) of the two phase strengthened alloy occurred at approximately 588 K (600 F) when heat treated to optimize creep strength and was not improved by fabrication to produce a wrought and recovered microstructure. The lowest DBTT measured on any of the alloys investigated was 422 K (300 F). Strengthening phases actually formed in Cr-Ta-B and Cr-Cb-B compositions are probable M2CrB2 (M=Ta or Cb) compounds of tetragonal crystal structure. The likely habit relationship between these compounds and chromium is postulated. Cube habit coherency was identified for TaC precipitation in chromium by electron microscopy. In another study, the maximum solubility of carbon in chromium was indicated to lie between 3/4 and 1 a/o and that of boron to be 1/2 a/o.

Near-infrared photoabsorption by C60 dianions in a storage ring.

PubMed

Kadhane, U; Andersen, J U; Bonderup, E; Concina, B; Hvelplund, P; Suhr Kirketerp, M-B; Liu, B; Nielsen, S Brøndsted; Panja, S; Rangama, J; Støchkel, K; Tomita, S; Zettergren, H; Hansen, K; Sundén, A E K; Canton, S E; Echt, O; Forster, J S

2009-07-07

We present a detailed study of the electronic structure and the stability of C(60) dianions in the gas phase. Monoanions were extracted from a plasma source and converted to dianions by electron transfer in a Na vapor cell. The dianions were then stored in an electrostatic ring, and their near-infrared absorption spectrum was measured by observation of laser induced electron detachment. From the time dependence of the detachment after photon absorption, we conclude that the reaction has contributions from both direct electron tunneling to the continuum and vibrationally assisted tunneling after internal conversion. This implies that the height of the Coulomb barrier confining the attached electrons is at least approximately 1.5 eV. For C(60)(2-) ions in solution electron spin resonance measurements have indicated a singlet ground state, and from the similarity of the absorption spectra we conclude that also the ground state of isolated C(60)(2-) ions is singlet. The observed spectrum corresponds to an electronic transition from a t(1u) lowest unoccupied molecular orbital (LUMO) of C(60) to the t(1g) LUMO+1 level. The electronic levels of the dianion are split due to Jahn-Teller coupling to quadrupole deformations of the molecule, and a main absorption band at 10,723 cm(-1) corresponds to a transition between the Jahn-Teller ground states. Also transitions from pseudorotational states with 200 cm(-1) and (probably) 420 cm(-1) excitation are observed. We argue that a very broad absorption band from about 11,500 cm(-1) to 13,500 cm(-1) consists of transitions to so-called cone states, which are Jahn-Teller states on a higher potential-energy surface, stabilized by a pseudorotational angular momentum barrier. A previously observed, high-lying absorption band for C(60)(-) may also be a transition to a cone state.

Kinetics of gibbsite dissolution under low ionic strength conditions

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

Ganor, J.; Mogollon, J.L.; Lasaga, A.C.

1999-06-01

Experiments measuring synthetic gibbsite dissolution rates were carried out using both a stirred-flow-through reactor and a column reactor at 25 C, and pH range of 2.5--4.1. All experiments were conducted under far from equilibrium conditions ({Delta}G < {minus}1.1 kcal/mole). The experiments were performed with perchloric acid under relatively low (and variable) ionic strength conditions. An excellent agreement was found between the results of the well-mixed flow-through experiments and those of the (nonmixed) column experiments. This agreement shows that the gibbsite dissolution rate is independent of the stirring rate and therefore supports the conclusion of Bloom and Erich (1987) that gibbsitemore » dissolution reaction is surface controlled and not diffusion controlled. The Brunauer-Emmett-Teller (BET) surface area of the gibbsite increased during the flow-through experiments, while in the column experiments no significant change in surface area was observed. The significant differences in the BET surface area between the column experiments and the flow-through experiments, and the excellent agreement between the rates obtained by both methods, enable the authors to justify the substitution of the BET surface area for the reactive surface area. The dissolution rate of gibbsite varied as a function of the perchloric acid concentration. The authors interpret the gibbsite dissolution rate as a result of a combined effect of proton catalysis and perchlorate inhibition. Following the theoretical study of Ganor and Lasaga (1998) they propose specific reaction mechanisms for the gibbsite dissolution in the presence of perchloric acid. The mathematical predictions of two of these reaction mechanisms adequately describe the experimental data.« less

Continuous Easy-Plane Deconfined Phase Transition on the Kagome Lattice

NASA Astrophysics Data System (ADS)

Zhang, Xue-Feng; He, Yin-Chen; Eggert, Sebastian; Moessner, Roderich; Pollmann, Frank

2018-03-01

We use large scale quantum Monte Carlo simulations to study an extended Hubbard model of hard core bosons on the kagome lattice. In the limit of strong nearest-neighbor interactions at 1 /3 filling, the interplay between frustration and quantum fluctuations leads to a valence bond solid ground state. The system undergoes a quantum phase transition to a superfluid phase as the interaction strength is decreased. It is still under debate whether the transition is weakly first order or represents an unconventional continuous phase transition. We present a theory in terms of an easy plane noncompact C P1 gauge theory describing the phase transition at 1 /3 filling. Utilizing large scale quantum Monte Carlo simulations with parallel tempering in the canonical ensemble up to 15552 spins, we provide evidence that the phase transition is continuous at exactly 1 /3 filling. A careful finite size scaling analysis reveals an unconventional scaling behavior hinting at deconfined quantum criticality.

Ideal glass transitions in thin films: An energy landscape perspective

NASA Astrophysics Data System (ADS)

Truskett, Thomas M.; Ganesan, Venkat

2003-07-01

We introduce a mean-field model for the potential energy landscape of a thin fluid film confined between parallel substrates. The model predicts how the number of accessible basins on the energy landscape and, consequently, the film's ideal glass transition temperature depend on bulk pressure, film thickness, and the strength of the fluid-fluid and fluid-substrate interactions. The predictions are in qualitative agreement with the experimental trends for the kinetic glass transition temperature of thin films, suggesting the utility of landscape-based approaches for studying the behavior of confined fluids.

Barriers and motivators for strength training among women of color and Caucasian women.

PubMed

O'Dougherty, Maureen; Dallman, Amber; Turcotte, Lucie; Patterson, Joan; Napolitano, Melissa A; Schmitz, Kathryn H

2008-01-01

The present study examined factors associated with adherence to a strength training (ST) intervention in a randomized controlled intervention trial testing whether twice-weekly strength training over 2 years could prevent age-associated increases in body fat in 80 overweight to mildly obese women, aged 25-44 years. Two sets of focus groups (FGs) were conducted with 25 women of color and 24 Caucasian participants, representing 60% of intervention participants. Fifty-five percent of FG participants had low adherence (defined as < or = 80% adherence to twice-weekly gym-based strength training). Demographic data indicated that marital status and childcare responsibilities affected adherence. Participants' perceptions of experiences in the ST intervention did not correspond to adherence levels or vary by race/ethnicity. Major impediments to adherence included competing obligations and related scheduling difficulties; life transitions; and declining or insufficient social motivators.

Transition scenario and transition control of the flow over a semi-infinite square leading-edge plate

NASA Astrophysics Data System (ADS)