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Sample records for intermediate coupling approximation

  1. Dielectronic recombination of P5+ and Cl7+ in configuration-average, LS-coupling, and intermediate-coupling approximations

    International Nuclear Information System (INIS)

    Badnell, N.R.; Pindzola, M.S.

    1989-01-01

    We have calculated dielectronic recombination cross sections and rate coefficients for the Ne-like ions P 5+ and Cl 7+ in configuration-average, LS-coupling, and intermediate-coupling approximations. Autoionization into excited states reduces the cross sections and rate coefficients by substantial amounts in all three methods. There is only rough agreement between the configuration-average cross-section results and the corresponding intermediate-coupling results. There is good agreement, however, between the LS-coupling cross-section results and the corresponding intermediate-coupling results. The LS-coupling and intermediate-coupling rate coefficients agree to better than 5%, while the configuration-average rate coefficients are about 30% higher than the other two coupling methods. External electric field effects, as calculated in the configuration-average approximation, are found to be relatively small for the cross sections and completely negligible for the rate coefficients. Finally, the general formula of Burgess was found to overestimate the rate coefficients by roughly a factor of 5, mainly due to the neglect of autoionization into excited states

  2. Singlet channel coupling in deuteron elastic scattering at intermediate energies

    International Nuclear Information System (INIS)

    Al-Khalili, J.S.; Tostevin, J.A.; Johnson, R.C.

    1990-01-01

    Intermediate energy deuteron elastic scattering is investigated in a three-body model incorporating relativistic kinematics. The effects of deuteron breakup to singlet spin intermediate states, on the elastic scattering observables for the 58 Ni(d vector, d) 58 Ni reaction at 400 and 700 MeV, are studied quantitatively. The singlet-breakup contributions to the elastic amplitude are estimated within an approximate two-step calculation. The calculation makes an adiabatic approximation in the intermediate states propagator which allows the use of closure over the np intermediate states continuum. The singlet channel coupling is found to produce large effects on the calculated reaction tensor analysing power A yy , characteristic of a dynamically induced second-rank tensor interaction. By inspection of the calculated breakup amplitudes we show this induced interaction to be of the T L tensor type. (orig.)

  3. Intermediate coupling collision strengths from LS coupled R-matrix elements

    International Nuclear Information System (INIS)

    Clark, R.E.H.

    1978-01-01

    Fine structure collision strength for transitions between two groups of states in intermediate coupling and with inclusion of configuration mixing are obtained from LS coupled reactance matrix elements (R-matrix elements) and a set of mixing coefficients. The LS coupled R-matrix elements are transformed to pair coupling using Wigner 6-j coefficients. From these pair coupled R-matrix elements together with a set of mixing coefficients, R-matrix elements are obtained which include the intermediate coupling and configuration mixing effects. Finally, from the latter R-matrix elements, collision strengths for fine structure transitions are computed (with inclusion of both intermediate coupling and configuration mixing). (Auth.)

  4. Bridging the gap between the Jaynes–Cummings and Rabi models using an intermediate rotating wave approximation

    International Nuclear Information System (INIS)

    Wang, Yimin; Haw, Jing Yan

    2015-01-01

    Highlights: • The intermediate rotating wave approximation (IRWA) is introduced. • The co-rotating and counter-rotating terms in Rabi model are expressed separately. • IRWA is applied to the near resonance case and the large detuning case. • The continuity between the Jaynes–Cummings model and the Rabi model is established. - Abstract: We present a novel approach called the intermediate rotating wave approximation (IRWA), which employs a time-averaging method to encapsulate the dynamics of light-matter interaction from strong to ultrastrong coupling regime. In contrast to the ordinary rotating wave approximation, this method addresses the co-rotating and counter-rotating terms separately to trace their physical consequences individually, and thus establishes the continuity between the Jaynes–Cummings model and the quantum Rabi model. We investigate IRWA in near resonance and large detuning cases. Our IRWA not only agrees well with both models in their respective coupling strengths, but also offers a good explanation of their differences

  5. An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision

    Science.gov (United States)

    Yang, Dongzheng; Hu, Xixi; Zhang, Dong H.; Xie, Daiqian

    2018-02-01

    Solving the time-independent close coupling equations of a diatom-diatom inelastic collision system by using the rigorous close-coupling approach is numerically difficult because of its expensive matrix manipulation. The coupled-states approximation decouples the centrifugal matrix by neglecting the important Coriolis couplings completely. In this work, a new approximation method based on the coupled-states approximation is presented and applied to time-independent quantum dynamic calculations. This approach only considers the most important Coriolis coupling with the nearest neighbors and ignores weaker Coriolis couplings with farther K channels. As a result, it reduces the computational costs without a significant loss of accuracy. Numerical tests for para-H2+ortho-H2 and para-H2+HD inelastic collision were carried out and the results showed that the improved method dramatically reduces the errors due to the neglect of the Coriolis couplings in the coupled-states approximation. This strategy should be useful in quantum dynamics of other systems.

  6. Coupled assimilation for an intermediated coupled ENSO prediction model

    Science.gov (United States)

    Zheng, Fei; Zhu, Jiang

    2010-10-01

    The value of coupled assimilation is discussed using an intermediate coupled model in which the wind stress is the only atmospheric state which is slavery to model sea surface temperature (SST). In the coupled assimilation analysis, based on the coupled wind-ocean state covariance calculated from the coupled state ensemble, the ocean state is adjusted by assimilating wind data using the ensemble Kalman filter. As revealed by a series of assimilation experiments using simulated observations, the coupled assimilation of wind observations yields better results than the assimilation of SST observations. Specifically, the coupled assimilation of wind observations can help to improve the accuracy of the surface and subsurface currents because the correlation between the wind and ocean currents is stronger than that between SST and ocean currents in the equatorial Pacific. Thus, the coupled assimilation of wind data can decrease the initial condition errors in the surface/subsurface currents that can significantly contribute to SST forecast errors. The value of the coupled assimilation of wind observations is further demonstrated by comparing the prediction skills of three 12-year (1997-2008) hindcast experiments initialized by the ocean-only assimilation scheme that assimilates SST observations, the coupled assimilation scheme that assimilates wind observations, and a nudging scheme that nudges the observed wind stress data, respectively. The prediction skills of two assimilation schemes are significantly better than those of the nudging scheme. The prediction skills of assimilating wind observations are better than assimilating SST observations. Assimilating wind observations for the 2007/2008 La Niña event triggers better predictions, while assimilating SST observations fails to provide an early warning for that event.

  7. Approximation scheme for strongly coupled plasmas: Dynamical theory

    International Nuclear Information System (INIS)

    Golden, K.I.; Kalman, G.

    1979-01-01

    The authors present a self-consistent approximation scheme for the calculation of the dynamical polarizability α (k, ω) at long wavelengths in strongly coupled one-component plasmas. Development of the scheme is carried out in two stages. The first stage follows the earlier Golden-Kalman-Silevitch (GKS) velocity-average approximation approach, but goes much further in its application of the nonlinear fluctuation-dissipation theorem to dynamical calculations. The result is the simple expression for α (k, ω), αatsub GKSat(k, ω) 4 moment sum rule. In the second stage, the above dynamical expression is made self-consistent at long wavelengths by postulating that a decomposition of the quadratic polarizabilities in terms of linear ones, which prevails in the k → 0 limit for weak coupling, can be relied upon as a paradigm for arbitrary coupling. The result is a relatively simple quadratic integral equation for α. Its evaluation in the weak-coupling limit and its comparison with known exact results in that limit reveal that almost all important correlational and long-time effects are reproduced by our theory with very good numerical accuracy over the entire frequency range; the only significant defect of the approximation seems to be the absence of the ''dominant'' γ ln γ -1 (γ is the plasma parameter) contribution to Im α

  8. An analytic distorted wave approximation for intermediate energy proton scattering

    International Nuclear Information System (INIS)

    Di Marzio, F.; Amos, K.

    1982-01-01

    An analytic Distorted Wave approximation has been developed for use in analyses of intermediate energy proton inelastic scattering from nuclei. Applications are made to analyse 402 and 800 MeV data from the isoscalar and isovector 1 + and 2 + states in 12 C and to the 800 MeV data from the excitation of the 2 - (8.88MeV) state in 16 O. Comparisons of predictions made using different model two-nucleon t-matrices and different models of nuclear structure are given

  9. Restrictions on the masses and coupling constants of excited intermediate bosons

    International Nuclear Information System (INIS)

    Kaidalov, A.B.; Nogteva, A.V.

    1985-01-01

    The properties of the intermediate bosons are discussed in the framework of composite models which include not only the W +- and Z 0 bosons but also their excited states with large masses. The influence of the excited states on the values of the masses of the W +- and Z 0 bosons is investigated. Restrictions on the masses and coupling constants of the excited intermediate bosons are obtained

  10. Intermediate coupling vibrational descriptions of odd mass gold isotopes

    CERN Document Server

    Vieu, C; Paar, V

    1976-01-01

    The theoretical analysis of /sup 193-195/Au levels is semi qualitatively performed in the frame of the intermediate coupling vibrational models of Kisslinger-Sorensen and Alaga. From the comparison between the experimental data and the corresponding predictions of the two models, conclusions are drawn on the influence of the clusters and broken pairs.

  11. Continuum orbital approximations in weak-coupling theories for inelastic electron scattering

    International Nuclear Information System (INIS)

    Peek, J.M.; Mann, J.B.

    1977-01-01

    Two approximations, motivated by heavy-particle scattering theory, are tested for weak-coupling electron-atom (ion) inelastic scattering theory. They consist of replacing the one-electron scattering orbitals by their Langer uniform approximations and the use of an average trajectory approximation which entirely avoids the necessity for generating continuum orbitals. Numerical tests for a dipole-allowed and a dipole-forbidden event, based on Coulomb-Born theory with exchange neglected, reveal the error trends. It is concluded that the uniform approximation gives a satisfactory prediction for traditional weak-coupling theories while the average approximation should be limited to collision energies exceeding at least twice the threshold energy. The accuracy for both approximations is higher for positive ions than for neutral targets. Partial-wave collision-strength data indicate that greater care should be exercised in using these approximations to predict quantities differential in the scattering angle. An application to the 2s 2 S-2p 2 P transition in Ne VIII is presented

  12. Adiabatic approximation in the ultrastrong-coupling regime of an oscillator and two qubits

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ping; Zou, Ping [Laboratory of Nanophotonic Functional Materials and Devices, SIPSE and LQIT, South China Normal University, Guangzhou 510006 (China); Zhang, Zhi-Ming, E-mail: zmzhang@scnu.edu.cn [Laboratory of Nanophotonic Functional Materials and Devices, SIPSE and LQIT, South China Normal University, Guangzhou 510006 (China)

    2012-10-01

    We present a system composed of two flux qubits and a transmission-line resonator. Instead of using the rotating wave approximation (RWA), we analyze the system by the adiabatic approximation methods under two opposite extreme conditions. Basic properties of the system are calculated and compared under these two different conditions. Relative energy-level spectrum of the system in the adiabatic displaced oscillator basis is shown, and the theoretical result is compared with the numerical solution. -- Highlights: ► Our work shows that the adiabatic approximations may work also in the ultrastrong coupling limit. ► Both of the approximation methods are valid in a large range of coupling strength, including the ultrastrong coupling regime. ► The results of the approximate formula meet well the exact numerical solution.

  13. Structure of the strongly coupled classical plasma in the self-consistent mean spherical approximation

    International Nuclear Information System (INIS)

    Chaturvedi, D.K.; Senatore, G.; Tosi, M.P.

    1980-10-01

    An analytic theory is presented for the static structure factor of the one-component classical plasma at strong couplings. The theory combines the hard-core model of Gillan for short-range correlations in the Coulomb fluid with a semiempirical representation of intermediate-range correlations, through which the requirement of thermodynamic consistency on the ''compressibility'' and the known equation of state of the system are satisfied. Excellent agreement is found with the available computer simulation data on the structure of the fluid. The approach becomes inapplicable at intermediate and weak couplings where effects of penetration in the Coulomb hole of each particle become important. (author)

  14. A finite range coupled channel Born approximation code

    International Nuclear Information System (INIS)

    Nagel, P.; Koshel, R.D.

    1978-01-01

    The computer code OUKID calculates differential cross sections for direct transfer nuclear reactions in which multistep processes, arising from strongly coupled inelastic states in both the target and residual nuclei, are possible. The code is designed for heavy ion reactions where full finite range and recoil effects are important. Distorted wave functions for the elastic and inelastic scattering are calculated by solving sets of coupled differential equations using a Matrix Numerov integration procedure. These wave functions are then expanded into bases of spherical Bessel functions by the plane-wave expansion method. This approach allows the six-dimensional integrals for the transition amplitude to be reduced to products of two one-dimensional integrals. Thus, the inelastic scattering is treated in a coupled channel formalism while the transfer process is treated in a finite range born approximation formalism. (Auth.)

  15. Coupled states approximation for scattering of two diatoms

    International Nuclear Information System (INIS)

    Heil, T.G.; Green, S.; Kouri, D.J.

    1978-01-01

    The coupled states (CS) approximation is developed in detail for the general case of two colliding diatomic molecules. The high energy limit of the exact Lippmann-Schwinger equation is used to obtain the CS equations so that the sufficiency conditions of Kouri, Heil, and Shimoni apply. In addition, care is taken to ensure correct treatment of parity in the CS, as well as correct labeling of the CS by an effective orbital angular momentum. The analysis follows that given by Shimoni and Kouri for atom-diatom collisions where the coupled rotor angular momentum j 12 and projection lambda 12 replace the single diatom angular momentum j and projection lambda. The result is an expression for the differential scattering amplitude which is a generalization of the highly successful McGuire-Kouri differential scattering amplitude for atom-diatom collisions. Also, the opacity function is found to be a generalization of the Clebsch-Gordon weight atom-diatom expression of Shimoni and Kouri. The diatom-diatom CS body frame T matrix T/sup J/(j 1 'j 2 'j 12 'lambda 12 'vertical-bar j 1 j 2 j 12 lambda 12 ) is also found to be nondiagonal in lambda' 12 ,lambda 12 , just as in the atom-diatom case. The parity and identical molecule interchange symmetries are also considered in detail in both the exact close coupling and CS approximations. Symmetrized expressions for all relevant quantities are obtained, along with the symmetrized coupled equations one must solve. The properly labeled and symmetrized CS equations have not been derived before this present work. The present correctly labeled CS theory is tested computationally by applications to three different diatom-diatom potentials. First we carry out calculations for para-para, ortho-ortho, and ortho-para H 2 -H 2 collisions using the experimental potential of Farrar and Lee

  16. Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing.

    Science.gov (United States)

    Maitra, Rahul; Nakajima, Takahito

    2017-11-28

    We present an accurate single reference coupled cluster theory in which the conventional Fock operator matrix is suitably dressed to simulate the effect of triple and higher excitations within a singles and doubles framework. The dressing thus invoked originates from a second-order perturbative approximation of a similarity transformed Hamiltonian and induces higher rank excitations through local renormalization of individual occupied and unoccupied orbital lines. Such a dressing is able to recover a significant amount of correlation effects beyond singles and doubles approximation, but only with an economic n 5 additional cost. Due to the inclusion of higher rank excitations via the Fock matrix dressing, this method is a natural improvement over conventional coupled cluster theory with singles and doubles approximation, and this method would be demonstrated via applications on some challenging systems. This highly promising scheme has a conceptually simple structure which is also easily generalizable to a multi-reference coupled cluster scheme for treating strong degeneracy. We shall demonstrate that this method is a natural lowest order perturbative approximation to the recently developed iterative n-body excitation inclusive coupled cluster singles and doubles scheme [R. Maitra et al., J. Chem. Phys. 147, 074103 (2017)].

  17. Intermediate inflation in a generalized induced-gravity scenario

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Carlos [Universidad de Atacama, Departamento de Fisica, Copiapo (Chile); Herrera, Ramon [Pontificia Universidad Catolica de Valparaiso, Instituto de Fisica, Valparaiso (Chile)

    2017-09-15

    An intermediate inflationary Universe model in the context of non-minimal coupling to the scalar curvature is analyzed. We will conduct our analysis in the slow-roll approximation of the inflationary dynamics and the cosmological perturbations considering a coupling of the form F(φ) = κ + ξ{sub n}φ{sup n}. Considering the trajectories in the r-n{sub s} plane from the Planck data, we find the constraints on the parameter space in our model. (orig.)

  18. Test of distorted wave kinematic coupling approximation calculations for knockout reactions

    International Nuclear Information System (INIS)

    Jain, A.K.

    1990-01-01

    A test has been devised to check the validity of conventional distorted-wave impulse approximation (DWIA) treatment of knockout reactions. The conventional DWIA formalism separates the three-body final state Schroedinger equation for a knockout reaction into two two-body Schroedinger equations by assuming an asymptotic constant value for the three-body coupling term commonly known as the kinematic coupling approximation (KCA). In the test case, which consists of an extreme asymmetric situation where one of the distorting optical potentials is assumed to vanish, the three-body final state Schroedinger equation can be solved exactly as a product of two two-body solutions using one particular set of relative coordinates. Large influence of the three-body coupling term is seen in the comparison of the exact and KCA results for (α,2α) and (p,pα) knockout reactions when the distorting optical potentials are weakly absorbing

  19. On-the-energy-shell approximation for the heavy ion couple-channels problems

    International Nuclear Information System (INIS)

    Carlson, B.V.; Hussein, M.S.

    Starting with the coupled channels equations describing multiple Coulomb excitations in heavy ion collisions an approximation scheme is developed based on replacing the channel Green's functions by their on-the-energy shell forms, which permits an exact analytic solution for the scattering matrix. The trivially equivalent Coulomb polarization potential valid for strong coupling and small energy loss in the excitation processes is constructed. This potential is seen to have a very simple r-dependence. A simple formula for the sub-barrier elastic scattering cross section is then derived both by using the WRB approximation and by summing the Born series for the T-matrix. Comparison of the two forms for the elastic cross section shows that they give almost identical numerical results in the small coupling limit only. The results are also compared with the predictions of the Alder-Winther theory. (Author) [pt

  20. Second order approximation for optical polaron in the strong coupling case

    International Nuclear Information System (INIS)

    Bogolubov, N.N. Jr.

    1993-11-01

    Here we propose a method of construction second order approximation for ground state energy for class of model Hamiltonian with linear type interaction on Bose operators in strong coupling case. For the application of the above method we have considered polaron model and propose construction set of nonlinear differential equations for definition ground state energy in strong coupling case. We have considered also radial symmetry case. (author). 10 refs

  1. Strong-coupling approximations

    International Nuclear Information System (INIS)

    Abbott, R.B.

    1984-03-01

    Standard path-integral techniques such as instanton calculations give good answers for weak-coupling problems, but become unreliable for strong-coupling. Here we consider a method of replacing the original potential by a suitably chosen harmonic oscillator potential. Physically this is motivated by the fact that potential barriers below the level of the ground-state energy of a quantum-mechanical system have little effect. Numerically, results are good, both for quantum-mechanical problems and for massive phi 4 field theory in 1 + 1 dimensions. 9 references, 6 figures

  2. A Comparison between Effective Cross Section Calculations using the Intermediate Resonance Approximation and More Exact Methods

    Energy Technology Data Exchange (ETDEWEB)

    Haeggblom, H

    1969-02-15

    In order to investigate some aspects of the 'Intermediate Resonance Approximation' developed by Goldstein and Cohen, comparative calculations have been made using this method together with more accurate methods. The latter are as follows: a) For homogeneous materials the slowing down equation is solved in the fundamental mode approximation with the computer programme SPENG. All cross sections are given point by point. Because the spectrum can be calculated for at most 2000 energy points, the energy regions where the resonances are accurately described are limited. Isolated resonances in the region 100 to 240 eV are studied for {sup 238}U/Fe and {sup 238}U/Fe/Na mixtures. In the regions 161 to 251 eV and 701 to 1000 eV, mixtures of {sup 238}U and Na are investigated. {sup 239}Pu/Na and {sup 239}Pu/{sup 238}U/Na mixtures are studied in the region 161 to 251 eV. b) For heterogeneous compositions in slab geometry the integral transport equation is solved using the FLIS programme in 22 energy groups. Thus, only one resonance can be considered in each calculation. Two resonances are considered, namely those belonging to {sup 238}U at 190 and 937 eV. The compositions are lattices of {sup 238}U and Fe plates. The computer programme DORIX is used for the calculations using the Intermediate Resonance Approximation. Calculations of reaction rates and effective cross sections are made at 0, 300 and 1100 deg K for homogeneous media and at 300 deg K for heterogeneous media. The results are compared to those obtained by using the programmes SPENG and FLIS and using the narrow resonance approximation.

  3. Isovector couplings for nucleon charge-exchange reactions at intermediate energies

    International Nuclear Information System (INIS)

    Love, W.G.; Nakayama, K.; Franey, M.A.

    1987-01-01

    The isovector parts of the effective nucleon-nucleon interaction are studied by examination of the reaction /sup 14/C(p,n) at intermediate energies near zero momentum transfer with use of recently developed G-matrix and free--t-matrix interactions. The spin-independent coupling (V/sub tau/) exhibits a strong energy and density dependence which, in the case of the G matrix based on the Bonn potential, significantly improves the agreement between calculated values of chemical bondV/sub σ//sub tau//V/sub tau/chemical bond 2 at q = 0 and those recently extracted from the reaction /sup 14/C

  4. Semigroup evolution in the Wigner-Weisskopf pole approximation with Markovian spectral coupling

    International Nuclear Information System (INIS)

    Shikerman, F.; Peer, A.; Horwitz, L. P.

    2011-01-01

    We establish the relation between the Wigner-Weisskopf theory for the description of an unstable system and the theory of coupling to an environment. According to the Wigner-Weisskopf general approach, even within the pole approximation, the evolution of a total system subspace is not an exact semigroup for multichannel decay unless the projectors into eigenstates of the reduced evolution generator W(z) are orthogonal. With multichannel decay, the projectors must be evaluated at different pole locations z α ≠z β , and since the orthogonality relation does not generally hold at different values of z, the semigroup evolution is a poor approximation for the multichannel decay, even for very weak coupling. Nevertheless, if the theory is generalized to take into account interactions with an environment, one can ensure orthogonality of the W(z) projectors regardless of the number of poles. Such a possibility occurs when W(z), and hence its eigenvectors, is independent of z, which corresponds to the Markovian limit of the coupling to the continuum spectrum.

  5. Semigroup evolution in the Wigner-Weisskopf pole approximation with Markovian spectral coupling

    Energy Technology Data Exchange (ETDEWEB)

    Shikerman, F.; Peer, A. [Physics department and BINA center for nano-technology, Bar Ilan University, Ramat Gan 52900 (Israel); Horwitz, L. P. [Physics department and BINA center for nano-technology, Bar Ilan University, Ramat Gan 52900 (Israel); School of Physics, Tel-Aviv University, Ramat-Aviv 69978 (Israel); Department of Physics, Ariel University Center of Samaria, Ariel 40700 (Israel)

    2011-07-15

    We establish the relation between the Wigner-Weisskopf theory for the description of an unstable system and the theory of coupling to an environment. According to the Wigner-Weisskopf general approach, even within the pole approximation, the evolution of a total system subspace is not an exact semigroup for multichannel decay unless the projectors into eigenstates of the reduced evolution generator W(z) are orthogonal. With multichannel decay, the projectors must be evaluated at different pole locations z{sub {alpha}}{ne}z{sub {beta}}, and since the orthogonality relation does not generally hold at different values of z, the semigroup evolution is a poor approximation for the multichannel decay, even for very weak coupling. Nevertheless, if the theory is generalized to take into account interactions with an environment, one can ensure orthogonality of the W(z) projectors regardless of the number of poles. Such a possibility occurs when W(z), and hence its eigenvectors, is independent of z, which corresponds to the Markovian limit of the coupling to the continuum spectrum.

  6. The strong running coupling from an approximate gluon Dyson-Schwinger equation

    International Nuclear Information System (INIS)

    Alkofer, R.; Hauck, A.

    1996-01-01

    Using Mandelstam's approximation to the gluon Dyson-Schwinger equation we calculate the gluon self-energy in a renormalisation group invariant fashion. We obtain a non-perturbative Β function. The scaling behavior near the ultraviolet stable fixed point is in good agreement with perturbative QCD. No further fixed point for positive values of the coupling is found: α S increases without bound in the infrared

  7. Electromagnetic fields created by a beam in an axisymmetric infinitely thick single-layer resistive pipe: general formulas and low frequency approximations

    CERN Document Server

    Mounet, Nicolas Frank; CERN. Geneva. ATS Department

    2015-01-01

    This note provides general and approximate formulas for the electromagnetic fields created by a passing beam in an axisymmetric infinitely thick resistive pipe made of a single homogeneous layer. The full derivations and their resulting approximate expressions at low and intermediate frequencies are given here, as well as the conditions under which those approximations are valid. Beam-coupling impedances are also computed, and examples are shown.

  8. Electron-atom scattering at intermediate energies

    International Nuclear Information System (INIS)

    Kingston, A.E.; Walters, H.R.J.

    1982-01-01

    The problems of intermediate energy scattering are approached from the low and high energy ends. At low intermediate energies difficulties associated with the use of pseudostates and correlation terms are discussed, special consideration being given to nonphysical pseudoresonances. Perturbation methods appropriate to high intermediate energies are described and attempts to extend these high energy approximations down to low intermediate energies are studied. It is shown how the importance of electron exchange effects develops with decreasing energy. The problem of assessing the 'effective completeness' of pseudostate sets at intermediate energies is mentioned and an instructive analysis of a 2p pseudostate approximation to elastic e - -H scattering is given. It is suggested that at low energies the Pauli Exclusion Principle can act to hide short range defects in pseudostate approximations. (author)

  9. The coupled-channel T-matrix: its lowest-order Born + Lanczos approximants

    International Nuclear Information System (INIS)

    Znojil, M.

    1995-01-01

    Three iterative methods of solution of the Lippmann-Schwinger equations (viz., the method of continued fractions by J.Horacek and T.Sasakawa), its Born-remainder modification and a coupled-channel matrix-continued-fraction generalization are all interpreted as special cases of a common iterative matrix prescription. Firstly, in terms of certain asymmetric projectors P≠P + , we re-derive the three particular older methods as different realizations of the well-known Lanczos inversion. Then, a generalized iteration method is proposed as a Born-like re-arrangement of any intermediate Lanczos iteration step. A maximal flexibility is achieved in the formalism which might compete with the standard Pade re-summations in practice. Its first few truncations are listed, therefore. 26 refs., 1 tab

  10. Simulation Research of Magnetically-coupled Resonant Wireless Power Transfer System with Single Intermediate Coil Resonator Based on S Parameters Using ANSYS

    Directory of Open Access Journals (Sweden)

    Liu Cheng

    2016-01-01

    Full Text Available ANSYS can be a powerful tool to simulate the process of energy exchange in magnetically-coupled resonant wireless power transfer system. In this work, the MCR-WPT system with single intermediate coil resonator is simulated and researched based on scattering parameters using ANSYS Electromagnetics. The change rule of power transfer efficiency is reflected intuitively through the scattering parameters. A new method of calculating the coupling coefficient is proposed. A cascaded 2-port network model using scattering parameters is adopted to research the efficiency of transmission. By changing the relative position and the number of turns of the intermediate coil, we find some factors affecting the efficiency of transmission. Methods and principles of designing the MCR-WPT system with single intermediate coil resonator are obtained. And these methods have practical value with design and optimization of system efficiency.

  11. Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)

    DEFF Research Database (Denmark)

    Enevoldsen, Thomas; Oddershede, Jens; Sauer, Stephan P. A.

    1998-01-01

    We present correlated calculations of the indirect nuclear spin-spin coupling constants of HD, HF, H2O, CH4, C2H2, BH, AlH, CO and N2 at the level of the second-order polarization propagator approximation (SOPPA) and the second-order polarization propagator approximation with coupled-cluster sing...

  12. Reformulation of time-convolutionless mode-coupling theory near the glass transition

    Science.gov (United States)

    Tokuyama, Michio

    2017-10-01

    The time-convolutionless mode-coupling theory (TMCT) recently proposed is reformulated under the condition that one of two approximations, which have been used to formulate the original TMCT in addition to the MCT approximations done on a derivation of nonlinear memory function in terms of the intermediate-scattering function, is not employed because it causes unphysical results for intermediate times. The improved TMCT equation is then derived consistently under another approximation. It is first checked that the ergodic to non-ergodic transition obtained by a new equation is exactly the same as that obtained by an old one because the long-time dynamics of both equations coincides with each other. However, it is emphasized that a difference between them appears in the intermediate-time dynamics of physical quantities. Such a difference is explored numerically in the dynamics of a non-Gaussian parameter by employing the Percus-Yevick static structure factor to calculate the nonlinear memory function.

  13. Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.

    Science.gov (United States)

    Chen, Zhenhua; Hoffmann, Mark R

    2012-07-07

    A unitary wave operator, exp (G), G(+) = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Mo̸ller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4

  14. Approximately analytical solutions of the Manning-Rosen potential with the spin-orbit coupling term and spin symmetry

    International Nuclear Information System (INIS)

    Wei Gaofeng; Dong Shihai

    2008-01-01

    In this Letter the approximately analytical bound state solutions of the Dirac equation with the Manning-Rosen potential for arbitrary spin-orbit coupling quantum number k are carried out by taking a properly approximate expansion for the spin-orbit coupling term. In the case of exact spin symmetry, the associated two-component spinor wave functions of the Dirac equation for arbitrary spin-orbit quantum number k are presented and the corresponding bound state energy equation is derived. We study briefly two special cases; the general s-wave problem and the equal scalar and vector Manning-Rosen potential

  15. Coupled radiative transfer equation and diffusion approximation model for photon migration in turbid medium with low-scattering and non-scattering regions

    International Nuclear Information System (INIS)

    Tarvainen, Tanja; Vauhkonen, Marko; Kolehmainen, Ville; Arridge, Simon R; Kaipio, Jari P

    2005-01-01

    In this paper, a coupled radiative transfer equation and diffusion approximation model is extended for light propagation in turbid medium with low-scattering and non-scattering regions. The light propagation is modelled with the radiative transfer equation in sub-domains in which the assumptions of the diffusion approximation are not valid. The diffusion approximation is used elsewhere in the domain. The two equations are coupled through their boundary conditions and they are solved simultaneously using the finite element method. The streamline diffusion modification is used to avoid the ray-effect problem in the finite element solution of the radiative transfer equation. The proposed method is tested with simulations. The results of the coupled model are compared with the finite element solutions of the radiative transfer equation and the diffusion approximation and with results of Monte Carlo simulation. The results show that the coupled model can be used to describe photon migration in turbid medium with low-scattering and non-scattering regions more accurately than the conventional diffusion model

  16. Fano-Agarwal couplings and non-rotating wave approximation in single-photon timed Dicke subradiance

    Science.gov (United States)

    Mirza, Imran M.; Begzjav, Tuguldur

    2016-04-01

    Recently a new class of single-photon timed Dicke (TD) subradiant states has been introduced with possible applications in single-photon-based quantum information storage and on demand ultrafast retrieval (Scully M. O., Phys. Rev. Lett., 115 (2015) 243602). However, the influence of any kind of virtual processes on the decay of these new kind of subradiant states has been left as an open question. In the present paper, we focus on this problem in detail. In particular, we investigate how pure Fano-Agarwal couplings and other virtual processes arising from non-rotating wave approximation impact the decay of otherwise sub- and superradiant states. In addition to the overall virtual couplings among all TD states, we also focus on the dominant role played by the couplings between specific TD states.

  17. Advanced Reactors-Intermediate Heat Exchanger (IHX) Coupling: Theoretical Modeling and Experimental Validation

    Energy Technology Data Exchange (ETDEWEB)

    Utgikar, Vivek [Univ. of Idaho, Moscow, ID (United States); Sun, Xiaodong [The Ohio State Univ., Columbus, OH (United States); Christensen, Richard [The Ohio State Univ., Columbus, OH (United States); Sabharwall, Piyush [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-12-29

    The overall goal of the research project was to model the behavior of the advanced reactorintermediate heat exchange system and to develop advanced control techniques for off-normal conditions. The specific objectives defined for the project were: 1. To develop the steady-state thermal hydraulic design of the intermediate heat exchanger (IHX); 2. To develop mathematical models to describe the advanced nuclear reactor-IHX-chemical process/power generation coupling during normal and off-normal operations, and to simulate models using multiphysics software; 3. To develop control strategies using genetic algorithm or neural network techniques and couple these techniques with the multiphysics software; 4. To validate the models experimentally The project objectives were accomplished by defining and executing four different tasks corresponding to these specific objectives. The first task involved selection of IHX candidates and developing steady state designs for those. The second task involved modeling of the transient and offnormal operation of the reactor-IHX system. The subsequent task dealt with the development of control strategies and involved algorithm development and simulation. The last task involved experimental validation of the thermal hydraulic performances of the two prototype heat exchangers designed and fabricated for the project at steady state and transient conditions to simulate the coupling of the reactor- IHX-process plant system. The experimental work utilized the two test facilities at The Ohio State University (OSU) including one existing High-Temperature Helium Test Facility (HTHF) and the newly developed high-temperature molten salt facility.

  18. Simulations of electromagnetic effects in high-frequency capacitively coupled discharges using the Darwin approximation

    International Nuclear Information System (INIS)

    Eremin, Denis; Hemke, Torben; Brinkmann, Ralf Peter; Mussenbrock, Thomas

    2013-01-01

    The Darwin approximation is investigated for its possible use in simulation of electromagnetic effects in large size, high-frequency capacitively coupled discharges. The approximation is utilized within the framework of two different fluid models which are applied to typical cases showing pronounced standing wave and skin effects. With the first model it is demonstrated that the Darwin approximation is valid for treatment of such effects in the range of parameters under consideration. The second approach, a reduced nonlinear Darwin approximation-based model, shows that the electromagnetic phenomena persist in a more realistic setting. The Darwin approximation offers a simple and efficient way of carrying out electromagnetic simulations as it removes the Courant condition plaguing explicit electromagnetic algorithms and can be implemented as a straightforward modification of electrostatic algorithms. The algorithm described here avoids iterative schemes needed for the divergence cleaning and represents a fast and efficient solver, which can be used in fluid and kinetic models for self-consistent description of technical plasmas exhibiting certain electromagnetic activity. (paper)

  19. Self-Driven Bioelectrochemical Mineralization of Azobenzene by Coupling Cathodic Reduction with Anodic Intermediate Oxidation

    International Nuclear Information System (INIS)

    Liu, Rong-Hua; Li, Wen-Wei; Sheng, Guo-Ping; Tong, Zhong-Hua; Lam, Michael Hon-Wah; Yu, Han-Qing

    2015-01-01

    Highlights: • Azobenzene was reduced to aniline at the cathode of an acetate-fueled MFC. • Aniline was degraded at the bioanode of a single-chamber MFC. • Cathodic reduction of azobenzene was coupled with anodic oxidation of aniline. • Self-driven, complete mineralization of azobenzene in an MFC was accomplished. - Abstract: Bioelectrochemical systems have been intensively studied as a promising technology for wastewater treatment and environment remediation. Coupling of the anodic and cathodic electrochemical reactions allows an enhanced degradation of recalcitrant organics, but external power supply is usually needed to overcome the thermodynamic barrier. In this work, we report a self-driven degradation of azobenzene in a microbial fuel cell (MFC), where the cathodic reduction of azobenzene was effectively coupled with the anodic oxidation of its reduction degradation intermediate (i.e., aniline). The anodic degradation rate of aniline, as the sole carbon source, was significantly higher than that under open-circuit conditions, suggesting a considerable bioelectrochemical oxidation of aniline. Output voltages up to 8 mV were obtained in the MFC. However, a shift of cathodic electron acceptor from oxygen to azobenzene resulted in a decreased aniline degradation rate and output voltage. The present work may provide valuable implications for development of sustainable bioelectrochemical technologies for environmental remediation

  20. CVD-MPFA full pressure support, coupled unstructured discrete fracture-matrix Darcy-flux approximations

    Science.gov (United States)

    Ahmed, Raheel; Edwards, Michael G.; Lamine, Sadok; Huisman, Bastiaan A. H.; Pal, Mayur

    2017-11-01

    Two novel control-volume methods are presented for flow in fractured media, and involve coupling the control-volume distributed multi-point flux approximation (CVD-MPFA) constructed with full pressure support (FPS), to two types of discrete fracture-matrix approximation for simulation on unstructured grids; (i) involving hybrid grids and (ii) a lower dimensional fracture model. Flow is governed by Darcy's law together with mass conservation both in the matrix and the fractures, where large discontinuities in permeability tensors can occur. Finite-volume FPS schemes are more robust than the earlier CVD-MPFA triangular pressure support (TPS) schemes for problems involving highly anisotropic homogeneous and heterogeneous full-tensor permeability fields. We use a cell-centred hybrid-grid method, where fractures are modelled by lower-dimensional interfaces between matrix cells in the physical mesh but expanded to equi-dimensional cells in the computational domain. We present a simple procedure to form a consistent hybrid-grid locally for a dual-cell. We also propose a novel hybrid-grid for intersecting fractures, for the FPS method, which reduces the condition number of the global linear system and leads to larger time steps for tracer transport. The transport equation for tracer flow is coupled with the pressure equation and provides flow parameter assessment of the fracture models. Transport results obtained via TPS and FPS hybrid-grid formulations are compared with the corresponding results of fine-scale explicit equi-dimensional formulations. The results show that the hybrid-grid FPS method applies to general full-tensor fields and provides improved robust approximations compared to the hybrid-grid TPS method for fractured domains, for both weakly anisotropic permeability fields and very strong anisotropic full-tensor permeability fields where the TPS scheme exhibits spurious oscillations. The hybrid-grid FPS formulation is extended to compressible flow and the

  1. Calculation of light delay for coupled microrings by FDTD technique and Padé approximation.

    Science.gov (United States)

    Huang, Yong-Zhen; Yang, Yue-De

    2009-11-01

    The Padé approximation with Baker's algorithm is compared with the least-squares Prony method and the generalized pencil-of-functions (GPOF) method for calculating mode frequencies and mode Q factors for coupled optical microdisks by FDTD technique. Comparisons of intensity spectra and the corresponding mode frequencies and Q factors show that the Padé approximation can yield more stable results than the Prony and the GPOF methods, especially the intensity spectrum. The results of the Prony method and the GPOF method are greatly influenced by the selected number of resonant modes, which need to be optimized during the data processing, in addition to the length of the time response signal. Furthermore, the Padé approximation is applied to calculate light delay for embedded microring resonators from complex transmission spectra obtained by the Padé approximation from a FDTD output. The Prony and the GPOF methods cannot be applied to calculate the transmission spectra, because the transmission signal obtained by the FDTD simulation cannot be expressed as a sum of damped complex exponentials.

  2. Approximate solution of oil film load-carrying capacity of turbulent journal bearing with couple stress flow

    Science.gov (United States)

    Zhang, Yongfang; Wu, Peng; Guo, Bo; Lü, Yanjun; Liu, Fuxi; Yu, Yingtian

    2015-01-01

    The instability of the rotor dynamic system supported by oil journal bearing is encountered frequently, such as the half-speed whirl of the rotor, which is caused by oil film lubricant with nonlinearity. Currently, more attention is paid to the physical characteristics of oil film due to an oil-lubricated journal bearing being the important supporting component of the bearing-rotor systems and its nonlinear nature. In order to analyze the lubrication characteristics of journal bearings efficiently and save computational efforts, an approximate solution of nonlinear oil film forces of a finite length turbulent journal bearing with couple stress flow is proposed based on Sommerfeld and Ocvirk numbers. Reynolds equation in lubrication of a finite length turbulent journal bearing is solved based on multi-parametric principle. Load-carrying capacity of nonlinear oil film is obtained, and the results obtained by different methods are compared. The validation of the proposed method is verified, meanwhile, the relationships of load-carrying capacity versus eccentricity ratio and width-to-diameter ratio under turbulent and couple stress working conditions are analyzed. The numerical results show that both couple stress flow and eccentricity ratio have obvious influence on oil film pressure distribution, and the proposed method approximates the load-carrying capacity of turbulent journal bearings efficiently with various width-to-diameter ratios. This research proposes an approximate solution of oil film load-carrying capacity of turbulent journal bearings with different width-to-diameter ratios, which are suitable for high eccentricity ratios and heavy loads.

  3. PLASIM-GENIE v1.0: a new intermediate complexity AOGCM

    Science.gov (United States)

    Holden, Philip B.; Edwards, Neil R.; Fraedrich, Klaus; Kirk, Edilbert; Lunkeit, Frank; Zhu, Xiuhua

    2016-09-01

    We describe the development, tuning and climate of Planet Simulator (PLASIM)-Grid-ENabled Integrated Earth system model (GENIE), a new intermediate complexity Atmosphere-Ocean General Circulation Model (AOGCM), built by coupling the Planet Simulator to the ocean, sea-ice and land-surface components of the GENIE Earth system model. PLASIM-GENIE supersedes GENIE-2, a coupling of GENIE to the Reading Intermediate General Circulation Model (IGCM). The primitive-equation atmosphere includes chaotic, three-dimensional (3-D) motion and interactive radiation and clouds, and dominates the computational load compared to the relatively simpler frictional-geostrophic ocean, which neglects momentum advection. The model is most appropriate for long-timescale or large ensemble studies where numerical efficiency is prioritised, but lack of data necessitates an internally consistent, coupled calculation of both oceanic and atmospheric fields. A 1000-year simulation with PLASIM-GENIE requires approximately 2 weeks on a single node of a 2.1 GHz AMD 6172 CPU. We demonstrate the tractability of PLASIM-GENIE ensembles by deriving a subjective tuning of the model with a 50-member ensemble of 1000-year simulations. The simulated climate is presented considering (i) global fields of seasonal surface air temperature, precipitation, wind, solar and thermal radiation, with comparisons to reanalysis data; (ii) vegetation carbon, soil moisture and aridity index; and (iii) sea surface temperature, salinity and ocean circulation. Considering its resolution, PLASIM-GENIE reproduces the main features of the climate system well and demonstrates usefulness for a wide range of applications.

  4. Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics.

    Science.gov (United States)

    Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

    2015-03-28

    A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times-the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies.

  5. Modeling networks of coupled enzymatic reactions using the total quasi-steady state approximation.

    Directory of Open Access Journals (Sweden)

    Andrea Ciliberto

    2007-03-01

    Full Text Available In metabolic networks, metabolites are usually present in great excess over the enzymes that catalyze their interconversion, and describing the rates of these reactions by using the Michaelis-Menten rate law is perfectly valid. This rate law assumes that the concentration of enzyme-substrate complex (C is much less than the free substrate concentration (S0. However, in protein interaction networks, the enzymes and substrates are all proteins in comparable concentrations, and neglecting C with respect to S0 is not valid. Borghans, DeBoer, and Segel developed an alternative description of enzyme kinetics that is valid when C is comparable to S0. We extend this description, which Borghans et al. call the total quasi-steady state approximation, to networks of coupled enzymatic reactions. First, we analyze an isolated Goldbeter-Koshland switch when enzymes and substrates are present in comparable concentrations. Then, on the basis of a real example of the molecular network governing cell cycle progression, we couple two and three Goldbeter-Koshland switches together to study the effects of feedback in networks of protein kinases and phosphatases. Our analysis shows that the total quasi-steady state approximation provides an excellent kinetic formalism for protein interaction networks, because (1 it unveils the modular structure of the enzymatic reactions, (2 it suggests a simple algorithm to formulate correct kinetic equations, and (3 contrary to classical Michaelis-Menten kinetics, it succeeds in faithfully reproducing the dynamics of the network both qualitatively and quantitatively.

  6. Multipole giant resonances of 12C nucleus electro excitation in intermediate coupling model

    International Nuclear Information System (INIS)

    Goncharova, N.G.; Zhivopistsev, F.A.

    1977-01-01

    Multipole giant resonances in 12 C electroexcitation are considered using the shell model with coupling. Cross sections are calculated for the states of 1 - , 2 - , 3 - , 4 - , at T=1. The distributions of the transverse form factor at transferred momenta equal to q approximately 0.75, 1.04, 1.22 and 1.56 Fm -1 and the longitudinal form factor for q = 0.75, 1.04, 1.56 Fm -1 are presented. For the excitation energies in the range from 18 to 28 MeV positive-parity states have a small contribution in the cross section. The distribution of the total form factor in the excitation energies is given. It is concluded that the multipole giant resonances of anomalous parity levels calculated within the interatomic-coupling shell model show a satisfactorily close agreement with the behavior of experimental form factors in the excitation energy range from 18 to 28 MeV

  7. A qubit strongly coupled to a resonant cavity: asymmetry of the spontaneous emission spectrum beyond the rotating wave approximation

    Energy Technology Data Exchange (ETDEWEB)

    Cao, X [Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen, 361005 (China); You, J Q; Nori, F [Advanced Science Institute, RIKEN, Wako-shi 351-0198 (Japan); Zheng, H, E-mail: xfcao@xmu.edu.cn [Department of Physics, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2011-07-15

    We investigate the spontaneous emission (SE) spectrum of a qubit in a lossy resonant cavity. We use neither the rotating-wave approximation nor the Markov approximation. For the weak-coupling case, the SE spectrum of the qubit is a single peak, with its location depending on the spectral density of the qubit environment. Then, the asymmetry (of the location and heights of the two peaks) of the two SE peaks (which are related to the vacuum Rabi splitting) changes as the qubit-cavity coupling increases. Explicitly, for a qubit in a low-frequency intrinsic bath, the height asymmetry of the splitting peaks is enhanced as the qubit-cavity coupling strength increases. However, for a qubit in an Ohmic bath, the height asymmetry of the spectral peaks is inverted compared to the low-frequency bath case. With further increasing the qubit-cavity coupling to the ultra-strong regime, the height asymmetry of the left and right peaks is slightly inverted, which is consistent with the corresponding case of a low-frequency bath. This inversion of the asymmetry arises from the competition between the Ohmic bath and the cavity bath. Therefore, after considering the anti-rotating terms, our results explicitly show how the height asymmetry in the SE spectrum peaks depends on the qubit-cavity coupling and the type of intrinsic noise experienced by the qubit.

  8. Intermediate state trapping of a voltage sensor

    DEFF Research Database (Denmark)

    Lacroix, Jérôme J; Pless, Stephan Alexander; Maragliano, Luca

    2012-01-01

    Voltage sensor domains (VSDs) regulate ion channels and enzymes by undergoing conformational changes depending on membrane electrical signals. The molecular mechanisms underlying the VSD transitions are not fully understood. Here, we show that some mutations of I241 in the S1 segment of the Shaker...... Kv channel positively shift the voltage dependence of the VSD movement and alter the functional coupling between VSD and pore domains. Among the I241 mutants, I241W immobilized the VSD movement during activation and deactivation, approximately halfway between the resting and active states......, and drastically shifted the voltage activation of the ionic conductance. This phenotype, which is consistent with a stabilization of an intermediate VSD conformation by the I241W mutation, was diminished by the charge-conserving R2K mutation but not by the charge-neutralizing R2Q mutation. Interestingly, most...

  9. Persistence and failure of mean-field approximations adapted to a class of systems of delay-coupled excitable units

    Science.gov (United States)

    Franović, Igor; Todorović, Kristina; Vasović, Nebojša; Burić, Nikola

    2014-02-01

    We consider the approximations behind the typical mean-field model derived for a class of systems made up of type II excitable units influenced by noise and coupling delays. The formulation of the two approximations, referred to as the Gaussian and the quasi-independence approximation, as well as the fashion in which their validity is verified, are adapted to reflect the essential properties of the underlying system. It is demonstrated that the failure of the mean-field model associated with the breakdown of the quasi-independence approximation can be predicted by the noise-induced bistability in the dynamics of the mean-field system. As for the Gaussian approximation, its violation is related to the increase of noise intensity, but the actual condition for failure can be cast in qualitative, rather than quantitative terms. We also discuss how the fulfillment of the mean-field approximations affects the statistics of the first return times for the local and global variables, further exploring the link between the fulfillment of the quasi-independence approximation and certain forms of synchronization between the individual units.

  10. Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation

    Science.gov (United States)

    Dutta, Achintya Kumar; Neese, Frank; Izsák, Róbert

    2018-06-01

    In this paper, we present a chain-of-sphere implementation of the external exchange term, the computational bottleneck of coupled-cluster calculations at the singles and doubles level. This implementation is compared to standard molecular orbital, atomic orbital and resolution of identity implementations of the same term within the ORCA package and turns out to be the most efficient one for larger molecules, with a better accuracy than the resolution-of-identity approximation. Furthermore, it becomes possible to perform a canonical CC calculation on a tetramer of nucleobases in 17 days, 20 hours.

  11. A Taylor Series Approach for Service-Coupled Queueing Systems with Intermediate Load

    Directory of Open Access Journals (Sweden)

    Ekaterina Evdokimova

    2017-01-01

    Full Text Available This paper investigates the performance of a queueing model with multiple finite queues and a single server. Departures from the queues are synchronised or coupled which means that a service completion leads to a departure in every queue and that service is temporarily interrupted whenever any of the queues is empty. We focus on the numerical analysis of this queueing model in a Markovian setting: the arrivals in the different queues constitute Poisson processes and the service times are exponentially distributed. Taking into account the state space explosion problem associated with multidimensional Markov processes, we calculate the terms in the series expansion in the service rate of the stationary distribution of the Markov chain as well as various performance measures when the system is (i overloaded and (ii under intermediate load. Our numerical results reveal that, by calculating the series expansions of performance measures around a few service rates, we get accurate estimates of various performance measures once the load is above 40% to 50%.

  12. Classical model of intermediate statistics

    International Nuclear Information System (INIS)

    Kaniadakis, G.

    1994-01-01

    In this work we present a classical kinetic model of intermediate statistics. In the case of Brownian particles we show that the Fermi-Dirac (FD) and Bose-Einstein (BE) distributions can be obtained, just as the Maxwell-Boltzmann (MD) distribution, as steady states of a classical kinetic equation that intrinsically takes into account an exclusion-inclusion principle. In our model the intermediate statistics are obtained as steady states of a system of coupled nonlinear kinetic equations, where the coupling constants are the transmutational potentials η κκ' . We show that, besides the FD-BE intermediate statistics extensively studied from the quantum point of view, we can also study the MB-FD and MB-BE ones. Moreover, our model allows us to treat the three-state mixing FD-MB-BE intermediate statistics. For boson and fermion mixing in a D-dimensional space, we obtain a family of FD-BE intermediate statistics by varying the transmutational potential η BF . This family contains, as a particular case when η BF =0, the quantum statistics recently proposed by L. Wu, Z. Wu, and J. Sun [Phys. Lett. A 170, 280 (1992)]. When we consider the two-dimensional FD-BE statistics, we derive an analytic expression of the fraction of fermions. When the temperature T→∞, the system is composed by an equal number of bosons and fermions, regardless of the value of η BF . On the contrary, when T=0, η BF becomes important and, according to its value, the system can be completely bosonic or fermionic, or composed both by bosons and fermions

  13. Coupling Strength and System Size Induce Firing Activity of Globally Coupled Neural Network

    International Nuclear Information System (INIS)

    Wei Duqu; Luo Xiaoshu; Zou Yanli

    2008-01-01

    We investigate how firing activity of globally coupled neural network depends on the coupling strength C and system size N. Network elements are described by space-clamped FitzHugh-Nagumo (SCFHN) neurons with the values of parameters at which no firing activity occurs. It is found that for a given appropriate coupling strength, there is an intermediate range of system size where the firing activity of globally coupled SCFHN neural network is induced and enhanced. On the other hand, for a given intermediate system size level, there exists an optimal value of coupling strength such that the intensity of firing activity reaches its maximum. These phenomena imply that the coupling strength and system size play a vital role in firing activity of neural network

  14. Spin symmetry in the relativistic symmetrical well potential including a proper approximation to the spin-orbit coupling term

    International Nuclear Information System (INIS)

    Wei Gaofeng; Dong Shihai

    2010-01-01

    In the case of exact spin symmetry, we approximately solve the Dirac equation with scalar and vector symmetrical well potentials by using a proper approximation to the spin-orbit coupling term, and obtain the corresponding energy equation and spinor wave functions for the bound states. We find that there exist only positive-energy bound states in the case of spin symmetry. Also, the energy eigenvalue approaches a constant when the potential parameter α goes to zero. The special case for equally scalar and vector symmetrical well potentials is studied briefly.

  15. Effects of mode coupling between low-mode radiation flux asymmetry and intermediate-mode ablator roughness on ignition capsule implosions

    Directory of Open Access Journals (Sweden)

    Jianfa Gu

    2017-01-01

    Full Text Available The low-mode shell asymmetry and high-mode hot spot mixing appear to be the main reasons for the performance degradation of the National Ignition Facility (NIF implosion experiments. The effects of the mode coupling between low-mode P2 radiation flux asymmetry and intermediate-mode L = 24 capsule roughness on the implosion performance of ignition capsule are investigated by two-dimensional radiation hydrodynamic simulations. It is shown that the amplitudes of new modes generated by the mode coupling are in good agreement with the second-order mode coupling equation during the acceleration phase. The later flow field not only shows large areal density P2 asymmetry in the main fuel, but also generates large-amplitude spikes and bubbles. In the deceleration phase, the increasing mode coupling generates more new modes, and the perturbation spectrum on the hot spot boundary is mainly from the strong mode interactions rather than the initial perturbation conditions. The combination of the low-mode and high-mode perturbations breaks up the capsule shell, resulting in a significant reduction of the hot spot temperature and implosion performance.

  16. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.

    Science.gov (United States)

    Neese, Frank; Wennmohs, Frank; Hansen, Andreas

    2009-03-21

    Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Moller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol(-1). Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500

  17. Coupled kinetic equations for fermions and bosons in the relaxation-time approximation

    Science.gov (United States)

    Florkowski, Wojciech; Maksymiuk, Ewa; Ryblewski, Radoslaw

    2018-02-01

    Kinetic equations for fermions and bosons are solved numerically in the relaxation-time approximation for the case of one-dimensional boost-invariant geometry. Fermions are massive and carry baryon number, while bosons are massless. The conservation laws for the baryon number, energy, and momentum lead to two Landau matching conditions, which specify the coupling between the fermionic and bosonic sectors and determine the proper-time dependence of the effective temperature and baryon chemical potential of the system. The numerical results illustrate how a nonequilibrium mixture of fermions and bosons approaches hydrodynamic regime described by the Navier-Stokes equations with appropriate forms of the kinetic coefficients. The shear viscosity of a mixture is the sum of the shear viscosities of fermion and boson components, while the bulk viscosity is given by the formula known for a gas of fermions, however, with the thermodynamic variables characterising the mixture. Thus, we find that massless bosons contribute in a nontrivial way to the bulk viscosity of a mixture, provided fermions are massive. We further observe the hydrodynamization effect, which takes place earlier in the shear sector than in the bulk one. The numerical studies of the ratio of the longitudinal and transverse pressures show, to a good approximation, that it depends on the ratio of the relaxation and proper times only. This behavior is connected with the existence of an attractor solution for conformal systems.

  18. How do we decide whether the first Born approximation applies to inelastic collisions of charged particles with an atom or molecule

    International Nuclear Information System (INIS)

    Inokuti, M.; Manson, S.T.

    1985-01-01

    A motivation of our study is to help resolve a general issue in atomic-collision physics. There are two major sources of uncertainties in the evaluation of cross sections. First, one uses an approximation for treating the collision process, e.g., the FBA, the distorted-wave approximation, or the close-coupling approximation. Second, explicit evaluation of cross sections within any of these approximations must use as input eigenfunctions for the target in the initial state and in the final state at least, and possibly in the intermediate states. It is important to distinguish these two sources of uncertainties as clearly as possible. For instance, once the authors are sure that the FBA holds, the uncertainties in the cross-section evaluation are fully attributable to the uncertainties in the target eigenfunctions. Strong plausibility arguments are given for the validity of the FBA

  19. Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

    International Nuclear Information System (INIS)

    Green, Timothy F. G.; Yates, Jonathan R.

    2014-01-01

    We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, 1 J(P-Ag) and 2 J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW

  20. Magnus approximation in the adiabatic picture

    International Nuclear Information System (INIS)

    Klarsfeld, S.; Oteo, J.A.

    1991-01-01

    A simple approximate nonperturbative method is described for treating time-dependent problems that works well in the intermediate regime far from both the sudden and the adiabatic limits. The method consists of applying the Magnus expansion after transforming to the adiabatic basis defined by the eigenstates of the instantaneous Hamiltonian. A few exactly soluble examples are considered in order to assess the domain of validity of the approximation. (author) 32 refs., 4 figs

  1. Results of fission product release from intermediate-scale MCCI [molten core-concrete interaction] tests

    International Nuclear Information System (INIS)

    Spencer, B.W.; Thompson, D.H.; Fink, J.K.; Gunther, W.H.; Sehgal, B.R.

    1988-01-01

    A program of reactor-material molten core-concrete interaction (MCCI) tests and related analyses are under way at Argonne National Laboratory under sponsorship of the Electric Power Research Institute (EPRI). The particular objective of these tests is to provide data pertaining to the release of nonvolatile fission products such as La, Ba, and Sr, plus other aerosol materials, from the coupled thermal-hydraulic and chemical processes of the MCCI. The first stages of the program involving small and intermediate-scale tests have been completed. Three small-scale tests (/approximately/5 kg corium) and nine intermediate-scale tests (/approximately/30 kg corium) were performed between September 1985 and September 1987. Real reactor materials were used in these tests. Sustained internal heat generation at nominally 1 kW per kg of melt was provided by direct electrical heating of the corium mixture. MCCI tests were performed with both fully and partially oxidized corium mixtures that contained a variety of nonradioactive materials such as La 2 O 3 , BaO, and SrO to represent fission products. Both limestone/common sand and basaltic concrete basemats were used. The system was instrumented for characterization of the thermal hydraulic, chemical, gas release, and aerosol release processes

  2. Approximation methods in probability theory

    CERN Document Server

    Čekanavičius, Vydas

    2016-01-01

    This book presents a wide range of well-known and less common methods used for estimating the accuracy of probabilistic approximations, including the Esseen type inversion formulas, the Stein method as well as the methods of convolutions and triangle function. Emphasising the correct usage of the methods presented, each step required for the proofs is examined in detail. As a result, this textbook provides valuable tools for proving approximation theorems. While Approximation Methods in Probability Theory will appeal to everyone interested in limit theorems of probability theory, the book is particularly aimed at graduate students who have completed a standard intermediate course in probability theory. Furthermore, experienced researchers wanting to enlarge their toolkit will also find this book useful.

  3. Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes

    International Nuclear Information System (INIS)

    Tecmer, Paweł; Visscher, Lucas; Severo Pereira Gomes, André; Knecht, Stefan

    2014-01-01

    We present a study of the electronic structure of the [UO 2 ] + , [UO 2 ] 2 + , [UO 2 ] 3 + , NUO, [NUO] + , [NUO] 2 + , [NUN] − , NUN, and [NUN] + molecules with the intermediate Hamiltonian Fock-space coupled cluster method. The accuracy of mean-field approaches based on the eXact-2-Component Hamiltonian to incorporate spin–orbit coupling and Gaunt interactions are compared to results obtained with the Dirac–Coulomb Hamiltonian. Furthermore, we assess the reliability of calculations employing approximate density functionals in describing electronic spectra and quantities useful in rationalizing Uranium (VI) species reactivity (hardness, electronegativity, and electrophilicity)

  4. Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes

    Science.gov (United States)

    Tecmer, Paweł; Severo Pereira Gomes, André; Knecht, Stefan; Visscher, Lucas

    2014-07-01

    We present a study of the electronic structure of the [UO2]+, [UO2]2 +, [UO2]3 +, NUO, [NUO]+, [NUO]2 +, [NUN]-, NUN, and [NUN]+ molecules with the intermediate Hamiltonian Fock-space coupled cluster method. The accuracy of mean-field approaches based on the eXact-2-Component Hamiltonian to incorporate spin-orbit coupling and Gaunt interactions are compared to results obtained with the Dirac-Coulomb Hamiltonian. Furthermore, we assess the reliability of calculations employing approximate density functionals in describing electronic spectra and quantities useful in rationalizing Uranium (VI) species reactivity (hardness, electronegativity, and electrophilicity).

  5. Photovoltaic efficiency of intermediate band solar cells based on CdTe/CdMnTe coupled quantum dots

    Science.gov (United States)

    Prado, Silvio J.; Marques, Gilmar E.; Alcalde, Augusto M.

    2017-11-01

    In this work we show the calculation of optimized efficiencies of intermediate band solar cells (IBSCs) based on Mn-doped II-VI CdTe/CdMnTe coupled quantum dot (QD) structures. We focus our attention on the combined effects of geometrical and Mn-doping parameters on optical properties and solar cell efficiency. In the framework of {k \\cdot p} theory, we accomplish detailed calculations of electronic structure, transition energies, optical selection rules and their corresponding intra- and interband oscillator strengths. With these results and by following the intermediate band model, we have developed a strategy which allows us to find optimal photovoltaic efficiency values. We also show that the effects of band admixture which can lead to degradation of optical transitions and reduction of efficiency can be partly minimized by a careful selection of the structural parameters and Mn-concentration. Thus, the improvement of band engineering is mandatory for any practical implementation of QD systems as IBSC hardware. Finally, our calculations show that it is possible to reach significant efficiency, up to  ∼26%, by selecting a restricted space of parameters such as quantum dot size and shape and Mn-concentration effects, to improve the modulation of optical absorption in the structures.

  6. Photovoltaic efficiency of intermediate band solar cells based on CdTe/CdMnTe coupled quantum dots.

    Science.gov (United States)

    Prado, Silvio J; Marques, Gilmar E; Alcalde, Augusto M

    2017-11-08

    In this work we show the calculation of optimized efficiencies of intermediate band solar cells (IBSCs) based on Mn-doped II-VI CdTe/CdMnTe coupled quantum dot (QD) structures. We focus our attention on the combined effects of geometrical and Mn-doping parameters on optical properties and solar cell efficiency. In the framework of [Formula: see text] theory, we accomplish detailed calculations of electronic structure, transition energies, optical selection rules and their corresponding intra- and interband oscillator strengths. With these results and by following the intermediate band model, we have developed a strategy which allows us to find optimal photovoltaic efficiency values. We also show that the effects of band admixture which can lead to degradation of optical transitions and reduction of efficiency can be partly minimized by a careful selection of the structural parameters and Mn-concentration. Thus, the improvement of band engineering is mandatory for any practical implementation of QD systems as IBSC hardware. Finally, our calculations show that it is possible to reach significant efficiency, up to  ∼26%, by selecting a restricted space of parameters such as quantum dot size and shape and Mn-concentration effects, to improve the modulation of optical absorption in the structures.

  7. Generalized squeezing rotating-wave approximation to the isotropic and anisotropic Rabi model in the ultrastrong-coupling regime

    Science.gov (United States)

    Zhang, Yu-Yu

    2016-12-01

    Generalized squeezing rotating-wave approximation (GSRWA) is proposed by employing both the displacement and the squeezing transformations. A solvable Hamiltonian is reformulated in the same form as the ordinary RWA ones. For a qubit coupled to oscillators experiment, a well-defined Schrödinger-cat-like entangled state is given by the displaced-squeezed oscillator state instead of the original displaced state. For the isotropic Rabi case, the mean photon number and the ground-state energy are expressed analytically with additional squeezing terms, exhibiting a substantial improvement of the GSRWA. And the ground-state energy in the anisotropic Rabi model confirms the effectiveness of the GSRWA. Due to the squeezing effect, the GSRWA improves the previous methods only with the displacement transformation in a wide range of coupling strengths even for large atom frequency.

  8. Coulomb couplings in solubilised light harvesting complex II (LHCII): challenging the ideal dipole approximation from TDDFT calculations.

    Science.gov (United States)

    López-Tarifa, P; Liguori, Nicoletta; van den Heuvel, Naudin; Croce, Roberta; Visscher, Lucas

    2017-07-19

    The light harvesting complex II (LHCII), is a pigment-protein complex responsible for most of the light harvesting in plants. LHCII harvests sunlight and transfers excitation energy to the reaction centre of the photo-system, where the water oxidation process takes place. The energetics of LHCII can be modulated by means of conformational changes allowing a switch from a harvesting to a quenched state. In this state, the excitation energy is no longer transferred but converted into thermal energy to prevent photooxidation. Based on molecular dynamics simulations at the microsecond time scale, we have recently proposed that the switch between different fluorescent states can be probed by correlating shifts in the chromophore-chromophore Coulomb interactions to particular protein movements. However, these findings are based upon calculations in the ideal point dipole approximation (IDA) where the Coulomb couplings are simplified as first order dipole-dipole interactions, also assuming that the chromophore transition dipole moments lay in particular directions of space with constant moduli (FIX-IDA). In this work, we challenge this approximation using the time-dependent density functional theory (TDDFT) combined with the frozen density embedding (FDE) approach. Our aim is to establish up to which limit FIX-IDA can be applied and which chromophore types are better described under this approximation. For that purpose, we use the classical trajectories of solubilised light harvesting complex II (LHCII) we have recently reported [Liguori et al., Sci. Rep., 2015, 5, 15661] and selected three pairs of chromophores containing chlorophyll and carotenoids (Chl and Car): Chla611-Chla612, Chlb606-Chlb607 and Chla612-Lut620. Using the FDE in the Tamm-Dancoff approximation (FDEc-TDA), we show that IDA is accurate enough for predicting Chl-Chl Coulomb couplings. However, the FIX-IDA largely overestimates Chl-Car interactions mainly because the transition dipole for the Cars is not

  9. Development of a discrete-ordinate approximation of the neutron transport equation for coupled xy-R-geometry

    International Nuclear Information System (INIS)

    Maertens, H.D.

    1982-01-01

    The inhomogenious structure of modern heavy water reactor fuel elements result in a strong spacial dependence of the neutron flux. The flux distribution can be calculated in detail by numerical methods, which describe exactly the geometrical heterogeniety and take into account the neutron flux anisotropy by higher transport theoretical approximations. Starting from the discrete ordinate method an approximation of the neutron transport equation has been developed, allowing for a cylindrical representation of the fuel-elements in a rectangular array of rods. The discretisation of the space variables, is based on the finite-difference approximation, defining a rectangular lattice in a two-dimensional cartesian coordinate system, which can be cut and replaced by circular mesh elements of a partially one-dimensional cylindrical coordinate system at arbitrary space points. To couple the two spacial regions the outer circle line of a cylindrical geometry is approximated in the cartesian system by a polygon with n >= 8. A cylindrical geometry is approximated in the cartesian system by a polygon with n>=8. A cylindrical geometry is thus enclosed by a system of two-dimensional rectangular, triangular and trapezoid mesh elements. The directional distribution of the neutron flux is conserved when switching from the xy-system to the cylindrical coordinate system. The angle discretisation by balanced sets of squares (EQsub(n)) allows a simple definition of transfer-coefficients for the redistribution of the neutron flux due to coordinate transformations. The procedure is verified and tested by selected problems. Possible applications and limits are discussed. (orig.) [de

  10. Study of λφ4 theory in the coupled independent double-oscillator approximation

    International Nuclear Information System (INIS)

    Bray, H.; Stevenson, P.M.

    1992-01-01

    A scalar field can be viewed as an infinite set of coupled oscillators, one at each lattice point in space, as the lattice spacing goes to zero. Λφ 4 theory considers the case when each oscillator is given a potential of the form V(φ) = 1/2m 2 φ 2 + λφ 4 . The question the authors wish to investigate is whether or not such a potential can cause spontaneous symmetry breaking. They approach this problem by defining an open-quotes effective potentialclose quotes which takes into account the quantum effects of the oscillators. This is useful because a double well effective potential would imply spontaneous symmetry breaking. They consider a variational calculation with a trial wavefunctional that is a product of independent double-oscillator wavefunctions. Each double-oscillator wavefunction is defined to be the sum of two Gaussians with the same widths, centered around φ o . They then define the effective potential at φ o to be the energy density resulting from this variational calculation, where the separation and the width of the Gaussians are the parameters which are allowed to vary. They call this the open-quotes Coupled Independent Double-Oscillator Approximation.close quotes The goal of this research is to compute this effective potential, renormalize the variables, and to gain additional insight into whether or not spontaneous symmetry breaking occurs

  11. Experimental identification of nonlinear coupling between (intermediate, small)-scale microturbulence and an MHD mode in the core of a superconducting tokamak

    Science.gov (United States)

    Sun, P. J.; Li, Y. D.; Ren, Y.; Zhang, X. D.; Wu, G. J.; Xu, L. Q.; Chen, R.; Li, Q.; Zhao, H. L.; Zhang, J. Z.; Shi, T. H.; Wang, Y. M.; Lyu, B.; Hu, L. Q.; Li, J.; The EAST Team

    2018-01-01

    In this paper, we present clear experimental evidence of core region nonlinear coupling between (intermediate, small)-scale microturbulence and an magnetohydrodynamics (MHD) mode during the current ramp-down phase in a set of L-mode plasma discharges in the experimental advanced superconducting tokamak (EAST, Wan et al (2006 Plasma Sci. Technol. 8 253)). Density fluctuations of broadband microturbulence (k\\perpρi˜2{-}5.2 ) and the MHD mode (toroidal mode number m = -1 , poloidal mode number n = 1 ) are measured simultaneously, using a four-channel tangential CO2 laser collective scattering diagnostic in core plasmas. The nonlinear coupling between the broadband microturbulence and the MHD mode is directly demonstrated by showing a statistically significant bicoherence and modulation of turbulent density fluctuation amplitude by the MHD mode.

  12. Generalized squeezing rotating-wave approximation to the isotropic and anisotropic Rabi model in the ultrastrong-coupling regime

    OpenAIRE

    Zhang, Yu-Yu

    2016-01-01

    Generalized squeezing rotating-wave approximation (GSRWA) is proposed by employing both the displacement and the squeezing transformations. A solvable Hamiltonian is reformulated in the same form as the ordinary RWA ones. For a qubit coupled to oscillators experiment, a well-defined Schr\\"{o}dinger-cat-like entangled state is given by the displaced-squeezed oscillator state instead of the original displaced state. For the isotropic Rabi case, the mean photon number and the ground-state energy...

  13. A General Approximation of Quantum Graph Vertex Couplings by Scaled Schrodinger Operators on Thin Branched Manifolds

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Post, O.

    2013-01-01

    Roč. 322, č. 1 (2013), s. 207-227 ISSN 0010-3616 R&D Projects: GA ČR GAP203/11/0701; GA MŠk LC06002 Institutional support: RVO:61389005 Keywords : quantum graph * vertex coupling * tubular network * approximation Subject RIV: BE - Theoretical Physics Impact factor: 1.901, year: 2013 http://download.springer.com/static/pdf/685/art%253A10.1007%252Fs00220-013-1699-9.pdf?auth66=1379859821_26f2df9c1c7e0997b290a90ec2fdfc7e&ext=.pdf

  14. J/sub z/-conserving coupled states approximation: Magnetic transitions and angular distributions in rotating and fixed frames

    International Nuclear Information System (INIS)

    Kouri, D.J.; Shimoni, Y.

    1977-01-01

    Recently Shimoni and Kouri have pointed out that a careful treatment of j/sub z/-conserving coupled states (CS) approximation results in a body frame T-matrix T/sup J/(jlambdavertical-barj 0 lambda 0 ) which is not diagonal in lambda,lambda 0 . In addition they have shown that previous investigations of the CS did not optimally identify body frame T-matrix. In this paper, we explore the consequences of these observations. The exact T-matrix is obtained in the R- and P-helicity frames, as well as in an uncoupled spaceframe (USF) representation. The resulting exact expressions for these T-matrices are in terms of certain integrals, I/sup J//sub l/(jlambdavertical-barj 0 lambda 0 ), introduced earlier by Shimoni and Kouri. By obtaining CS approximation to these integrals, we are able to derive the preferred CS approximation in the R- and P-helicity and USF representations. We then employ the resulting CS T-matrices to derive the differential scattering amplitude and cross section in the various possible reference frames. The result is a unified treatment of these quantities. We are then able to demonstrate the equivalence of the CS approximation to the R- and P-helicity amplitudes. In addition, we show explicitly that the CS approximate degeneracy averaged differential cross section is frame independent. The CS approximation to the USF equation provides a rigorous basis for the original derivation of the CS method as given by McGuire and Kouri. In particular, our treatment shows that when the L 2 operator is approximated by an eigenvalue form l (l+1) h 2 (as was suggested first by McGuire and Kouri), there is no longer any difference between the BF and USF in the dynamical equations (for the wavefunction or amplitude density). Any differences are strictly kinematic in origin, and are the source of the lambda transitions which occur in the BF CS approximation. In the USF, there are no magnetic transitions in the CS approximation

  15. Comments on intermediate-scale models

    International Nuclear Information System (INIS)

    Ellis, J.; Enqvist, K.; Nanopoulos, D.V.; Olive, K.

    1987-01-01

    Some superstring-inspired models employ intermediate scales m I of gauge symmetry breaking. Such scales should exceed 10 16 GeV in order to avoid prima facie problems with baryon decay through heavy particles and non-perturbative behaviour of the gauge couplings above m I . However, the intermediate-scale phase transition does not occur until the temperature of the Universe falls below O(m W ), after which an enormous excess of entropy is generated. Moreover, gauge symmetry breaking by renormalization group-improved radiative corrections is inapplicable because the symmetry-breaking field has not renormalizable interactions at scales below m I . We also comment on the danger of baryon and lepton number violation in the effective low-energy theory. (orig.)

  16. Formation, structure, and stability of MHD intermediate shocks

    International Nuclear Information System (INIS)

    Wu, C.C.

    1990-01-01

    Contrary to the usual belief that MHD intermediate shocks are extraneous, the author has recently shown by numerical solutions of dissipative MHD equations that intermediate shocks are admissible and can be formed through nonlinear wave steepening from continuous waves. In this paper, the formation, structure and stability of intermediate shocks in dissipative MHD are considered in detail. The differences between the conventional theory and his are pointed out and clarified. He shows that all four types of intermediate shocks can be formed from smooth waves. He also shows that there are free parameters in the structure of the intermediate shocks, and that these parameters are related to the shock stability. In addition, he shows that a rotational discontinuity can not exist with finite width, indicate how this is related to the existence of time-dependent intermediate shocks, and show why the conventional theory is not a good approximation to dissipative MHD solutions whenever there is rotation in magnetic field

  17. The adiabatic approximation in multichannel scattering

    International Nuclear Information System (INIS)

    Schulte, A.M.

    1978-01-01

    Using two-dimensional models, an attempt has been made to get an impression of the conditions of validity of the adiabatic approximation. For a nucleon bound to a rotating nucleus the Coriolis coupling is neglected and the relation between this nuclear Coriolis coupling and the classical Coriolis force has been examined. The approximation for particle scattering from an axially symmetric rotating nucleus based on a short duration of the collision, has been combined with an approximation based on the limitation of angular momentum transfer between particle and nucleus. Numerical calculations demonstrate the validity of the new combined method. The concept of time duration for quantum mechanical collisions has also been studied, as has the collective description of permanently deformed nuclei. (C.F.)

  18. Failure of standard approximations of the exchange coupling in nanostructures

    DEFF Research Database (Denmark)

    Pedersen, Jesper Goor; Flindt, Christian; Mortensen, Asger

    2007-01-01

    We calculate the exchange coupling for a double dot system using a numerically exact technique based on finite-element methods and an expansion in two-dimensional Gaussians. Specifically, we evaluate the exchange coupling both for a quasi-one- and a two-dimensional system, also including an appli...

  19. Preliminary thermal sizing of intermediate heat exchanger for NHDD system

    International Nuclear Information System (INIS)

    Kim, Chan Soo; Hong, Sung Deok; Kim, Yong Wan; Chang, Jongh Wa

    2009-01-01

    Nuclear Hydrogen Development and Demonstration (NHDD) system is a Very High Temperature gascooled Reactor (VHTR) coupled with hydrogen production systems. Intermediate heat exchanger transfers heat from the nuclear reactor to the hydrogen production system. This study presented the sensitivity analysis on a preliminary thermal sizing of the intermediate heat exchanger. Printed Circuit Heat Exchanger (PCHE) was selected for the thermal sizing because the printed circuit heat exchanger has the largest compactness among the heat exchanger types. The analysis was performed to estimate the effect of key parameters including the operating condition of the intermediate system, the geometrical factors of the PCHE, and the working fluid of the intermediate system.

  20. Analysis of spin crossover nanochains using parabolic approximation in the framework of atom–phonon coupling model

    Energy Technology Data Exchange (ETDEWEB)

    Chiruta, D. [Groupe d’Etude de la Matiere Condensee (GEMAC), UMR 8635, CNRS, Universite de Versailles Saint Quentin, 45, Avenue des Etats-Unis, 78035 Versailles (France); Faculty of Electrical Engineering and Computer Science & Advanced Materials and Nanotechnology Laboratory (AMNOL), Stefan cel Mare University, Suceava 720229 (Romania); Jureschi, C.-M. [Faculty of Electrical Engineering and Computer Science & Advanced Materials and Nanotechnology Laboratory (AMNOL), Stefan cel Mare University, Suceava 720229 (Romania); Laboratoire d’Ingenierie des Systemes de Versailles (LISV), EA 4048, CNRS, Universite de Versailles Saint Quentin, 45, Avenue des Etats-Unis, 78035 Versailles (France); Linares, J., E-mail: jorge.linares@uvsq.fr [Groupe d’Etude de la Matiere Condensee (GEMAC), UMR 8635, CNRS, Universite de Versailles Saint Quentin, 45, Avenue des Etats-Unis, 78035 Versailles (France); Nasser, J. [Laboratoire d’Ingenierie des Systemes de Versailles (LISV), EA 4048, CNRS, Universite de Versailles Saint Quentin, 45, Avenue des Etats-Unis, 78035 Versailles (France); Rotaru, A. [Faculty of Electrical Engineering and Computer Science & Advanced Materials and Nanotechnology Laboratory (AMNOL), Stefan cel Mare University, Suceava 720229 (Romania)

    2015-11-01

    In this paper the atom–phonon coupling model is applied to explain and illustrate the behavior of a linear chain of molecules in the case of spin crossover (SCO) compounds. It is well known that besides the system's cooperativity which influences the hysteretic behavior of SCO complexes, the size of the system also plays a determinant role. The system's properties are analyzed using a parabolic algorithm as a new method proposed herein for the first time in order to take into account the phonon contribution. Based on exact calculations, this method is closer to the reality and more efficient than the mean-field approximation (MFA). In particular, both the parabolic algorithm and the dynamic-matrix method are tested and compared and it is shown from the analysis of the system's behavior that large size can be handled without generating all the system states. We also analyzed the role of degeneracy, and the thermal variation of both the entropy and heat capacity in the ferromagnetic-like coupling case.

  1. Approximate Likelihood

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    Most physics results at the LHC end in a likelihood ratio test. This includes discovery and exclusion for searches as well as mass, cross-section, and coupling measurements. The use of Machine Learning (multivariate) algorithms in HEP is mainly restricted to searches, which can be reduced to classification between two fixed distributions: signal vs. background. I will show how we can extend the use of ML classifiers to distributions parameterized by physical quantities like masses and couplings as well as nuisance parameters associated to systematic uncertainties. This allows for one to approximate the likelihood ratio while still using a high dimensional feature vector for the data. Both the MEM and ABC approaches mentioned above aim to provide inference on model parameters (like cross-sections, masses, couplings, etc.). ABC is fundamentally tied Bayesian inference and focuses on the “likelihood free” setting where only a simulator is available and one cannot directly compute the likelihood for the dat...

  2. Relativistic hadrodynamics with field-strength dependent coupling of the scalar fields in Hartree and Hartree-Fock approximation

    International Nuclear Information System (INIS)

    Lindner, J.

    1992-09-01

    In this thesis in the framework of our model of the field-strength dependent coupling the properties of infinitely extended, homogeneous, static, spin- and isospin-saturated nuclear matter are studied. Thereby we use the Hartree-Mean-Field and the Hartree-Fock approximation, whereby the influence of the antiparticle states in the Fermi sea is neglected. In chapter 2 the Lagrangian density basing to our model is fixed. Starting from the Walecka model we modify in the Lagrangian density the Linear coupling of the scalar field to the scalar density as follows g S φanti ψψ→g S f(φ) anti ψψ. In chapter 3 we fix three different functions f(φ). For these three cases and for the Walecka model with f(φ)=φ nuclear-matter calculations are performed. In chapter 4 for the Hartree-Fock calculations, but also very especially regarding the molecular-dynamics calculations, the properties of the Dirac spinors in the plane-wave representation are intensively studied. (orig.)

  3. Comments on intermediate-scale models

    Energy Technology Data Exchange (ETDEWEB)

    Ellis, J.; Enqvist, K.; Nanopoulos, D.V.; Olive, K.

    1987-04-23

    Some superstring-inspired models employ intermediate scales m/sub I/ of gauge symmetry breaking. Such scales should exceed 10/sup 16/ GeV in order to avoid prima facie problems with baryon decay through heavy particles and non-perturbative behaviour of the gauge couplings above m/sub I/. However, the intermediate-scale phase transition does not occur until the temperature of the Universe falls below O(m/sub W/), after which an enormous excess of entropy is generated. Moreover, gauge symmetry breaking by renormalization group-improved radiative corrections is inapplicable because the symmetry-breaking field has not renormalizable interactions at scales below m/sub I/. We also comment on the danger of baryon and lepton number violation in the effective low-energy theory.

  4. Time-dependent Gross-Pitaevskii equation for composite bosons as the strong-coupling limit of the fermionic broken-symmetry random-phase approximation

    International Nuclear Information System (INIS)

    Strinati, G.C.; Pieri, P.

    2004-01-01

    The linear response to a space- and time-dependent external disturbance of a system of dilute condensed composite bosons at zero temperature, as obtained from the linearized version of the time-dependent Gross-Pitaevskii equation, is shown to result also from the strong-coupling limit of the time-dependent BCS (or broken-symmetry random-phase) approximation for the constituent fermions subject to the same external disturbance. In this way, it is possible to connect excited-state properties of the bosonic and fermionic systems by placing the Gross-Pitaevskii equation in perspective with the corresponding fermionic approximations

  5. The convergent close-coupling method for a Coulomb three-body problem

    International Nuclear Information System (INIS)

    Bray, I.; Stelbovics, A.T.

    1994-09-01

    The close-coupling method relies on the reformulation of the Schroedinger equation into an infinite set of coupled-channel equations by expanding over the complete set of target states. The difficulty in applying this approach is that the continuum channels are known to be very important in the intermediate-energy region and coupling to them must be included with little approximation. The application of the Convergent Close-Coupling (CCC) method is discussed which allows the continuum to be treated in a systematic manner via the use of square-integrable states. The CCC method utilizes an expansion of the target in a complete set of orthogonal L 2 functions which form a basis for the underlying Hilbert space. The utility of the method relies on being able to demonstrate convergence in the scattering amplitudes of interest as the basis size is increased. Numerical examples for the well known Temkin-Poet problem are used to illustrate the method. It is estimated the methods may be readily applied to full electron-atom scattering problem. 17 refs., 4 figs

  6. Structure of replicating intermediates of human herpesvirus type 6

    International Nuclear Information System (INIS)

    Severini, Alberto; Sevenhuysen, Claire; Garbutt, Michael; Tipples, Graham A.

    2003-01-01

    We have studied the structure of the replicative intermediates of human herpesvirus 6 (HHV-6) using pulsed-field gel electrophoresis, partial digestion, two-dimensional gel electrophoresis, and sedimentation centrifugation. The results show that DNA replication of HHV-6 produces head-to-tail concatemeric intermediates as well as approximately equal amounts of circular monomers or oligomers. Unlike the situation in herpes simplex virus, the intermediates of human herpesvirus 6 replication are not highly branched, suggesting a difference in the mechanism of replication or a lower frequency of homologous recombination in human herpesvirus 6 compared to herpes simplex virus

  7. Intermediate Bandgap Solar Cells From Nanostructured Silicon

    Energy Technology Data Exchange (ETDEWEB)

    Black, Marcie [Bandgap Engineering, Lincoln, MA (United States)

    2014-10-30

    This project aimed to demonstrate increased electronic coupling in silicon nanostructures relative to bulk silicon for the purpose of making high efficiency intermediate bandgap solar cells using silicon. To this end, we formed nanowires with controlled crystallographic orientation, small diameter, <111> sidewall faceting, and passivated surfaces to modify the electronic band structure in silicon by breaking down the symmetry of the crystal lattice. We grew and tested these silicon nanowires with <110>-growth axes, which is an orientation that should produce the coupling enhancement.

  8. Derivation of a numerical solution of the 3D coupled velocity field for an ice sheet – ice shelf system, incorporating both full and approximate stress solutions

    NARCIS (Netherlands)

    Reerink, T.J.|info:eu-repo/dai/nl/304831905; van de Wal, R.S.W.|info:eu-repo/dai/nl/101899556; Borsboom, P.-P.

    2009-01-01

    To overcome the mechanical coupling of an ice sheet with an ice shelf, one single set of velocity equations is presented covering both the sheet and the shelf. This set is obtained by applying shared sheet-shelf approximations. The hydrostatic approximation and a constant density are the only

  9. The second-order polarization propagator approximation (SOPPA) method coupled to the polarizable continuum model

    DEFF Research Database (Denmark)

    Eriksen, Janus Juul; Solanko, Lukasz Michal; Nåbo, Lina J.

    2014-01-01

    2) wave function coupled to PCM, we introduce dynamical PCM solvent effects only in the Random Phase Approximation (RPA) part of the SOPPA response equations while the static solvent contribution is kept in both the RPA terms as well as in the higher order correlation matrix components of the SOPPA...... response equations. By dynamic terms, we refer to contributions that describe a change in environmental polarization which, in turn, reflects a change in the core molecular charge distribution upon an electronic excitation. This new combination of methods is termed PCM-SOPPA/RPA. We apply this newly...... defined method to the challenging cases of solvent effects on the lowest and intense electronic transitions in o-, m- and p-nitroaniline and o-, m- and p-nitrophenol and compare the performance of PCM-SOPPA/RPA with more conventional approaches. Compared to calculations based on time-dependent density...

  10. Polarization control of intermediate state absorption in resonance-mediated multi-photon absorption process

    International Nuclear Information System (INIS)

    Xu, Shuwu; Yao, Yunhua; Jia, Tianqing; Ding, Jingxin; Zhang, Shian; Sun, Zhenrong; Huang, Yunxia

    2015-01-01

    We theoretically and experimentally demonstrate the control of the intermediate state absorption in an (n + m) resonance-mediated multi-photon absorption process by the polarization-modulated femtosecond laser pulse. An analytical solution of the intermediate state absorption in a resonance-mediated multi-photon absorption process is obtained based on the time-dependent perturbation theory. Our theoretical results show that the control efficiency of the intermediate state absorption by the polarization modulation is independent of the laser intensity when the transition from the intermediate state to the final state is coupled by the single-photon absorption, but will be affected by the laser intensity when this transition is coupled by the non-resonant multi-photon absorption. These theoretical results are experimentally confirmed via a two-photon fluorescence control in (2 + 1) resonance-mediated three-photon absorption of Coumarin 480 dye and a single-photon fluorescence control in (1 + 2) resonance-mediated three-photon absorption of IR 125 dye. (paper)

  11. Alteration of the ground state by external magnetic fields. [External field, coupling constant ratio, static tree level approximation

    Energy Technology Data Exchange (ETDEWEB)

    Harrington, B J; Shepard, H K [New Hampshire Univ., Durham (USA). Dept. of Physics

    1976-03-22

    By fully exploiting the mathematical and physical analogy to the Ginzburg-Landau theory of superconductivity, a complete discussion of the ground state behavior of the four-dimensional Abelian Higgs model in the static tree level approximation is presented. It is shown that a sufficiently strong external magnetic field can alter the ground state of the theory by restoring a spontaneously broken symmetry, or by creating a qualitatively different 'vortex' state. The energetically favored ground state is explicitly determined as a function of the external field and the ratio between coupling constants of the theory.

  12. Dynamical mean-field approximation to small-world networks of spiking neurons: From local to global and/or from regular to random couplings

    International Nuclear Information System (INIS)

    Hasegawa, Hideo

    2004-01-01

    By extending a dynamical mean-field approximation previously proposed by the author [H. Hasegawa, Phys. Rev. E 67, 041903 (2003)], we have developed a semianalytical theory which takes into account a wide range of couplings in a small-world network. Our network consists of noisy N-unit FitzHugh-Nagumo neurons with couplings whose average coordination number Z may change from local (Z<< N) to global couplings (Z=N-1) and/or whose concentration of random couplings p is allowed to vary from regular (p=0) to completely random (p=1). We have taken into account three kinds of spatial correlations: the on-site correlation, the correlation for a coupled pair, and that for a pair without direct couplings. The original 2N-dimensional stochastic differential equations are transformed to 13-dimensional deterministic differential equations expressed in terms of means, variances, and covariances of state variables. The synchronization ratio and the firing-time precision for an applied single spike have been discussed as functions of Z and p. Our calculations have shown that with increasing p, the synchronization is worse because of increased heterogeneous couplings, although the average network distance becomes shorter. Results calculated by our theory are in good agreement with those by direct simulations

  13. Lifetime enhancement for multiphoton absorption in intermediate band solar cells

    International Nuclear Information System (INIS)

    Bezerra, Anibal T; Studart, Nelson

    2017-01-01

    A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p – i–n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell. (paper)

  14. Lifetime enhancement for multiphoton absorption in intermediate band solar cells

    Science.gov (United States)

    Bezerra, Anibal T.; Studart, Nelson

    2017-08-01

    A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

  15. Extending the Kawai-Kerman-McVoy Statistical Theory of Nuclear Reactions to Intermediate Structure via Doorways

    International Nuclear Information System (INIS)

    Arbanas, Goran; Bertulani, C.A.; Dean, D.J.; Kerman, A.K.; Roche, K.J.

    2011-01-01

    Kawai, Kerman, and McVoy have shown that a statistical treatment of many open channels that are coupled by direct reactions leads to modifications of the Hauser- Feshbach expression for energy-averaged cross section (Ann. of Phys. 75 (1973) 156). The energy averaging interval for this cross section is on the order of the width of single particle resonances, 1MeV, revealing only a gross structure in the cross section. When the energy-averaging interval is decreased down to a width of a doorway state 0.1 MeV, a so-called intermediate structure may be observed in cross sections. We extend the Kawai-Kerman-McVoy theory into the intermediate structure by leveraging a theory of doorway states developed by Feshbach, Kerman, and Lemmer (Ann. of Phys. 42 (1967) 230). As a byproduct of the extension, an alternative derivation of the central result of the Kawai-Kerman-McVoy theory is suggested. We quantify the effect of the approximations used in derivation by performing numerical computations for a large set of compound nuclear states.

  16. Multiple spatial scaling and the weak-coupling approximation. I. General formulation and equilibrium theory

    Energy Technology Data Exchange (ETDEWEB)

    Kleinsmith, P E [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA)

    1976-04-01

    Multiple spatial scaling is incorporated in a modified form of the Bogoliubov plasma cluster expansion; then this proposed reformulation of the plasma weak-coupling approximation is used to derive, from the BBGKY Hierarchy, a decoupled set of equations for the one-and two-particle distribution functions in the limit as the plasma parameter goes to zero. Because the reformulated cluster expansion permits retention of essential two-particle collisional information in the limiting equations, while simultaneously retaining the well-established Debye-scale relative ordering of the correlation functions, decoupling of the Hierarchy is accomplished without introduction of the divergence problems encountered in the Bogoliubov theory, as is indicated by an exact solution of the limiting equations for the equilibrium case. To establish additional links with existing plasma equilibrium theories, the two-particle equilibrium correlation function is used to calculate the interaction energy and the equation of state. The limiting equation for the equilibrium three-particle correlation function is then developed, and a formal solution is obtained.

  17. Pade approximants for the ground-state energy of closed-shell quantum dots

    International Nuclear Information System (INIS)

    Gonzalez, A.; Partoens, B.; Peeters, F.M.

    1997-08-01

    Analytic approximations to the ground-state energy of closed-shell quantum dots (number of electrons from 2 to 210) are presented in the form of two-point Pade approximants. These Pade approximants are constructed from the small- and large-density limits of the energy. We estimated that the maximum error, reached for intermediate densities, is less than ≤ 3%. Within that present approximation the ground-state is found to be unpolarized. (author). 21 refs, 3 figs, 2 tabs

  18. Vacancy-rearrangement theory in the first Magnus approximation

    International Nuclear Information System (INIS)

    Becker, R.L.

    1984-01-01

    In the present paper we employ the first Magnus approximation (M1A), a unitarized Born approximation, in semiclassical collision theory. We have found previously that the M1A gives a substantial improvement over the first Born approximation (B1A) and can give a good approximation to a full coupled channels calculation of the mean L-shell vacancy probability per electron, p/sub L/, when the L-vacancies are accompanied by a K-shell vacancy (p/sub L/ is obtained experimentally from measurements of K/sub α/-satellite intensities). For sufficiently strong projectile-electron interactions (sufficiently large Z/sub p/ or small v) the M1A ceases to reproduce the coupled channels results, but it is accurate over a much wider range of Z/sub p/ and v than the B1A. 27 references

  19. Applications of a lead pile coupled with fast reactor core of Yayoi as an intermediate energy neutron standard field

    International Nuclear Information System (INIS)

    Kosako, Toshiso; Nakazawa, Masaharu; Sekiguchi, Akira; Wakabayashi, Hiroaki.

    1976-10-01

    Intermediate neutron column of YAYOI reactor is here evaluated as an intermediate energy neutron standard field which provides a base of the measurements of various reaction rates in that energy region, including detector calibration and Doppler coefficient determination. The experiments were performed using YAYOI's core as a fast neutron source by coupling with the large lead pile, which is a 160 ton's octagon of 2.5 m high and with a thickness of about 2.5 m face to face distance. Spatial variation of the neutron flux in the lead pile was estimated by gold activation foils, and the neutron spectrum by sandwich foils, a helium-3 proportional counter and a proton recoil counter. The calculated results were obtained using one and two- dimensional discrete ordinate code, ANISN and TWOTRAN II. Through comparison of experiment with calculation, it became clear that the neutron field at the central block has simple energy spectrum and stable spatial distribution of the neutron flux, the absolute of which was 5.0 x 10 4 (n/cm 2 /sec/Watt) at the representative energy of 1 KeV. The energy spectrum of the position and the spatial dependent neutron flux in the lead pile are both represented by the semiempirical formula, which must be useful both for evaluation of experimental data and for future applications. (auth.)

  20. Finite rank separable approximation for Skyrme interactions: spin-isospin excitations

    International Nuclear Information System (INIS)

    Severyukhin, A.P.; Voronov, V.V.; Borzov, I.N.; Nguyen Van Giai

    2012-01-01

    A finite rank separable approximation for the quasiparticle random phase approximation with the Skyrme interactions is applied for the case of charge-exchange nuclear modes. The coupling between one- and two-phonon terms in the wave functions is taken into account. It has been shown that the approximation reproduces reasonably well the full charge-exchange RPA results for the spin-dipole resonances in 132 Sn. As an illustration of the method, the phonon-phonon coupling effect on the β-decay half-life of 78 Ni is considered

  1. Dynamics of a linear system coupled to a chain of light nonlinear oscillators analyzed through a continuous approximation

    Science.gov (United States)

    Charlemagne, S.; Ture Savadkoohi, A.; Lamarque, C.-H.

    2018-07-01

    The continuous approximation is used in this work to describe the dynamics of a nonlinear chain of light oscillators coupled to a linear main system. A general methodology is applied to an example where the chain has local nonlinear restoring forces. The slow invariant manifold is detected at fast time scale. At slow time scale, equilibrium and singular points are sought around this manifold in order to predict periodic regimes and strongly modulated responses of the system. Analytical predictions are in good accordance with numerical results and represent a potent tool for designing nonlinear chains for passive control purposes.

  2. Model of cosmology and particle physics at an intermediate scale

    International Nuclear Information System (INIS)

    Bastero-Gil, M.; Di Clemente, V.; King, S. F.

    2005-01-01

    We propose a model of cosmology and particle physics in which all relevant scales arise in a natural way from an intermediate string scale. We are led to assign the string scale to the intermediate scale M * ∼10 13 GeV by four independent pieces of physics: electroweak symmetry breaking; the μ parameter; the axion scale; and the neutrino mass scale. The model involves hybrid inflation with the waterfall field N being responsible for generating the μ term, the right-handed neutrino mass scale, and the Peccei-Quinn symmetry breaking scale. The large scale structure of the Universe is generated by the lightest right-handed sneutrino playing the role of a coupled curvaton. We show that the correct curvature perturbations may be successfully generated providing the lightest right-handed neutrino is weakly coupled in the seesaw mechanism, consistent with sequential dominance

  3. Accurate gradient approximation for complex interface problems in 3D by an improved coupling interface method

    Energy Technology Data Exchange (ETDEWEB)

    Shu, Yu-Chen, E-mail: ycshu@mail.ncku.edu.tw [Department of Mathematics, National Cheng Kung University, Tainan 701, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (South), Tainan 701, Taiwan (China); Chern, I-Liang, E-mail: chern@math.ntu.edu.tw [Department of Applied Mathematics, National Chiao Tung University, Hsin Chu 300, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (Taipei Office), Taipei 106, Taiwan (China); Chang, Chien C., E-mail: mechang@iam.ntu.edu.tw [Institute of Applied Mechanics, National Taiwan University, Taipei 106, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China)

    2014-10-15

    Most elliptic interface solvers become complicated for complex interface problems at those “exceptional points” where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.

  4. Accuracy of the ''decoupled l-dominant'' approximation for atom--molecule scattering

    International Nuclear Information System (INIS)

    Green, S.

    1976-01-01

    Cross sections for rotational excitation and spectral pressure broadening of HD, HCl, CO, and HCN due to collisions with low energy He atoms have been computed within the ''decoupled l-dominant'' (DLD) approximation recently suggested by DePristo and Alexander. These are compared with accurate close coupling results and also with two similar approximations, the effective potential of Rabitz and the coupled states of McGuire and Kouri. These collision systems are all dominated by short-range repulsive interactions although they have varying degrees of anisotropy and inelasticity. The coupled states method is expected to be valid for such systems, but they should be a severe test to the DLD approximation which is expected to be better for long-range interactions. Nonetheless, DLD predictions of state-to-state cross sections are rather good, being only slightly less accurate than coupled states results. DLD is far superior to either the coupled states or effective potential methods for pressure broadening calculations, although it may not be uniformly of the quantitative accuracy desirable for obtaining intermolecular potentials from experimental data

  5. Simulation of the last glacial cycle with a coupled climate ice-sheet model of intermediate complexity

    Directory of Open Access Journals (Sweden)

    A. Ganopolski

    2010-04-01

    Full Text Available A new version of the Earth system model of intermediate complexity, CLIMBER-2, which includes the three-dimensional polythermal ice-sheet model SICOPOLIS, is used to simulate the last glacial cycle forced by variations of the Earth's orbital parameters and atmospheric concentration of major greenhouse gases. The climate and ice-sheet components of the model are coupled bi-directionally through a physically-based surface energy and mass balance interface. The model accounts for the time-dependent effect of aeolian dust on planetary and snow albedo. The model successfully simulates the temporal and spatial dynamics of the major Northern Hemisphere (NH ice sheets, including rapid glacial inception and strong asymmetry between the ice-sheet growth phase and glacial termination. Spatial extent and elevation of the ice sheets during the last glacial maximum agree reasonably well with palaeoclimate reconstructions. A suite of sensitivity experiments demonstrates that simulated ice-sheet evolution during the last glacial cycle is very sensitive to some parameters of the surface energy and mass-balance interface and dust module. The possibility of a considerable acceleration of the climate ice-sheet model is discussed.

  6. Two-loop renormalization group analysis of supersymmetric SO(10) models with an intermediate scale

    International Nuclear Information System (INIS)

    Bastero-Gil, M.; Brahmachari, B.

    1996-03-01

    Two-loop evolutions of the gauge couplings in a class of intermediate scale supersymmetric SO(10) models including the effect of third generation Yukawa couplings are studied. The unification scale, the intermediate scale and the value of the unification gauge coupling in these models are calculated and the gauge boson mediated proton decay rates are estimated. In some cases the predicted proton lifetime turns out to be in the border-line of experimental limit. The predictions of the top quark mass, the mass ratio m b (m b )/m τ (m τ ) from the two-loop evolution of Yukawa couplings and the mass of the left handed neutrino via see-saw mechanism are summarized. The lower bounds on the ratio of the VEVs of the two low energy doublets (tan β) from the requirement of the perturbative unitarity of the top quark Yukawa coupling up to the grand unification scale are also presented. All the predictions have been compared with those of the one-step unified theory. (author). 33 refs, 5 figs, 1 tab

  7. Influence of the sign of the coupling on the temperature dependence of optical properties of one-dimensional exciton models

    Energy Technology Data Exchange (ETDEWEB)

    Cruzeiro, L [CCMAR and FCT, Universidade of Algarve, Campus de Gambelas, 8005-139 Faro (Portugal)

    2008-10-14

    A new physical cause for a temperature-dependent double peak in exciton systems is put forward within a thermal equilibrium approach for the calculation of optical properties of exciton systems. Indeed, it is found that one-dimensional exciton systems with only one molecule per unit cell can have an absorption spectrum characterized by a double peak provided that the coupling between excitations in different molecules is positive. The two peaks, whose relative intensities vary with temperature, are located around the exciton band edges, being separated by an energy of approximately 4V, where V is the average coupling between nearest neighbours. For small amounts of diagonal and off-diagonal disorder, the contributions from the intermediate states in the band are also visible as intermediate structure between the two peaks, this being enhanced for systems with periodic boundary conditions. At a qualitative level, these results correlate well with experimental observations in the molecular aggregates of the thiacarbocyanine dye THIATS and in the organic crystals of acetanilide and N-methylacetamide.

  8. Influence of the sign of the coupling on the temperature dependence of optical properties of one-dimensional exciton models

    International Nuclear Information System (INIS)

    Cruzeiro, L

    2008-01-01

    A new physical cause for a temperature-dependent double peak in exciton systems is put forward within a thermal equilibrium approach for the calculation of optical properties of exciton systems. Indeed, it is found that one-dimensional exciton systems with only one molecule per unit cell can have an absorption spectrum characterized by a double peak provided that the coupling between excitations in different molecules is positive. The two peaks, whose relative intensities vary with temperature, are located around the exciton band edges, being separated by an energy of approximately 4V, where V is the average coupling between nearest neighbours. For small amounts of diagonal and off-diagonal disorder, the contributions from the intermediate states in the band are also visible as intermediate structure between the two peaks, this being enhanced for systems with periodic boundary conditions. At a qualitative level, these results correlate well with experimental observations in the molecular aggregates of the thiacarbocyanine dye THIATS and in the organic crystals of acetanilide and N-methylacetamide

  9. Excess energy and decoherence factor of a qubit coupled to a one-dimensional periodically driven spin chain

    Science.gov (United States)

    Nag, Tanay

    2016-06-01

    We take a central spin model (CSM), consisting of a one-dimensional environmental Ising spin chain and a single qubit connected globally to all the spins of the environment, to study the excess energy (EE) of the environment and the logarithm of decoherence factor namely, generalized fidelity susceptibility per site (GFSS), associated with the qubit under a periodic driving of the transverse field term of environment across its critical point using the Floquet theory. The coupling to the qubit, prepared in a pure state, with the transverse field of the spin chain yields two sets of EE corresponding to the two species of Floquet operators. In the limit of weak coupling, we derive an approximated expression of GFSS after an infinite number of driving period which can successfully estimate the low- and intermediate-frequency behavior of GFSS obtained numerically with a large number of time periods. Our main focus is to analytically investigate the effect of system-environment coupling strength on the EEs and GFSS and relate the behavior of GFSS to EEs as a function of frequency by plausible analytical arguments. We explicitly show that the low-frequency beatinglike pattern of GFSS is an outcome of two frequencies, causing the oscillations in the two branches of EEs, that are dependent on the coupling strength. In the intermediate frequency regime, dip structure observed in GFSS can be justified by the resonance peaks of EEs at those coupling parameter-dependent frequencies; high-frequency saturation behavior of EEs and GFSS are controlled by the same static Hamiltonian and the associated saturation values are related to the coupling strength.

  10. The MHD intermediate shock interaction with an intermediate wave: Are intermediate shocks physical?

    International Nuclear Information System (INIS)

    Wu, C.C.

    1988-01-01

    Contrary to the usual belief that MHD intermediate shocks are extraneous, the authors have recently shown by numerical solutions of dissipative MHD equations that intermediate shocks are admissible and can be formed through nonlinear steepening from a continuous wave. In this paper, he clarifies the differences between the conventional view and the results by studying the interaction of an MHD intermediate shock with an intermediate wave. The study reaffirms his results. In addition, the study shows that there exists a larger class of shocklike solutions in the time-dependent dissiaptive MHD equations than are given by the MHD Rankine-Hugoniot relations. it also suggests a mechanism for forming rotational discontinuities through the interaction of an intermediate shock with an intermediate wave. The results are of importance not only to the MHD shock theory but also to studies such as magnetic field reconnection models

  11. Identification of the substrate radical intermediate derived from ethanolamine during catalysis by ethanolamine ammonia-lyase.

    Science.gov (United States)

    Bender, Güneş; Poyner, Russell R; Reed, George H

    2008-10-28

    Rapid-mix freeze-quench (RMFQ) methods and electron paramagnetic resonance (EPR) spectroscopy have been used to characterize the steady-state radical in the deamination of ethanolamine catalyzed by adenosylcobalamin (AdoCbl)-dependent ethanolamine ammonia-lyase (EAL). EPR spectra of the radical intermediates formed with the substrates, [1-13C]ethanolamine, [2-13C]ethanolamine, and unlabeled ethanolamine were acquired using RMFQ trapping methods from 10 ms to completion of the reaction. Resolved 13C hyperfine splitting in EPR spectra of samples prepared with [1-13C]ethanolamine and the absence of such splitting in spectra of samples prepared with [2-13C]ethanolamine show that the unpaired electron is localized on C1 (the carbinol carbon) of the substrate. The 13C splitting from C1 persists from 10 ms throughout the time course of substrate turnover, and there was no evidence of a detectable amount of a product like radical having unpaired spin on C2. These results correct an earlier assignment for this radical intermediate [Warncke, K., et al. (1999) J. Am. Chem. Soc. 121, 10522-10528]. The EPR signals of the substrate radical intermediate are altered by electron spin coupling to the other paramagnetic species, cob(II)alamin, in the active site. The dipole-dipole and exchange interactions as well as the 1-13C hyperfine splitting tensor were analyzed via spectral simulations. The sign of the isotropic exchange interaction indicates a weak ferromagnetic coupling of the two unpaired electrons. A Co2+-radical distance of 8.7 A was obtained from the magnitude of the dipole-dipole interaction. The orientation of the principal axes of the 13C hyperfine splitting tensor shows that the long axis of the spin-bearing p orbital on C1 of the substrate radical makes an angle of approximately 98 degrees with the unique axis of the d(z2) orbital of Co2+.

  12. [Enhanced prenatal HIV couple oriented counselling session and couple communication about HIV (ANRS 12127 Prenahtest Trial)].

    Science.gov (United States)

    Plazy, M; Orne-Gliemann, J; Balestre, E; Miric, M; Darak, S; Butsashvili, M; Tchendjou, P; Dabis, F; Desgrées du Loû, A

    2013-08-01

    The Prenahtest study investigated the efficacy of a couple-oriented HIV counselling session (COC) in encouraging couple HIV counselling and testing, and improving intra-couple communication about sexual and reproductive health. We report here on the effect of COC on intra-couple communication about HIV. Within this 4-country trial (India, Georgia, Dominican Republic and Cameroon), 484 to 491 pregnant women per site were recruited and individually randomized to receive either the COC intervention, enhanced counselling with role playing, or standard post-test HIV counselling. Women were interviewed at recruitment, before HIV testing (T0), and 2 to 8 weeks after post-test HIV counselling (T1). Four dichotomous variables documented intra-couple communication about HIV at T1: 1) discussion about HIV, 2) discussion about condom use, 3) suggesting HIV testing and 4) suggesting couple HIV counselling to the partner. An intra-couple HIV communication index was created: low degree of communication ("yes" response to zero or one of the four variables), intermediate degree of communication ("yes" to two or three variables) or high degree of communication ("yes" to the four variables). To estimate the impact of COC on the intra-couple HIV communication index, multivariable logistic regressions were conducted. One thousand six hundred and seven women were included in the analysis of whom 54 (3.4%) were HIV-infected (49 in Cameroon). In the four countries, the counselling group was associated with intra-couple HIV communication (P≤0.03): women allocated to the COC group were significantly more likely to report high or intermediate degrees of intra-couple communication about HIV (versus low degree of communication) than women allocated to standard counselling. COC improved short-term communication about HIV within couples in different sociocultural contexts, a positive finding for a couple approach to HIV prevention. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  13. Spectral signatures for swash on reflective, intermediate and dissipative beaches

    DEFF Research Database (Denmark)

    Hughes, Michael G; Aagaard, Troels; Baldock, Tom E

    2014-01-01

    (reflective, intermediate and dissipative), with beach gradients ranging from approximately 1:6 to 1:60 exposed to offshore significant wave heights of 0.5–3.0 m. The ratio of swash energy in the short-wave (f > 0.05 Hz) to long-wave (f ... the three beach types. Swash energy at short-wave frequencies is dominant on reflective and intermediate beaches and swash at long-wave frequencies is dominant on dissipative beaches; consistent with previously reported spectral signatures for the surf zone on these beach types. The available swash spectra...

  14. Neutrino-nucleus collision at intermediate energy

    International Nuclear Information System (INIS)

    Kosmas, T.S.; Oset, E.

    1999-01-01

    Neutrino-nucleus reactions at low and intermediate energy up to E ν = 500 MeV are studied for the most interesting nuclei from an experimental point of view. We focus on neutrino-nucleus cross-sections of semi-inclusive processes, for which recent measurements from radiochemical experiments at LAMPF and KARMEN laboratories are available. The method employed uses the modified Lindhard function for the description of the particle-hole excitations of the final nucleus via a local density approximation. (authors)

  15. Intermediate inflation from a non-canonical scalar field

    Energy Technology Data Exchange (ETDEWEB)

    Rezazadeh, K.; Karami, K. [Department of Physics, University of Kurdistan, Pasdaran St., Sanandaj (Iran, Islamic Republic of); Karimi, P., E-mail: rezazadeh86@gmail.com, E-mail: KKarami@uok.ac.ir, E-mail: parvin.karimi67@yahoo.com [Center for Excellence in Astronomy and Astrophysics (CEAA-RIAAM), P.O. Box 55134-441, Maragha (Iran, Islamic Republic of)

    2015-09-01

    We study the intermediate inflation in a non-canonical scalar field framework with a power-like Lagrangian. We show that in contrast with the standard canonical intermediate inflation, our non-canonical model is compatible with the observational results of Planck 2015. Also, we estimate the equilateral non-Gaussianity parameter which is in well agreement with the prediction of Planck 2015. Then, we obtain an approximation for the energy scale at the initial time of inflation and show that it can be of order of the Planck energy scale, i.e. M{sub P} ∼ 10{sup 18}GeV. We will see that after a short period of time, inflation enters in the slow-roll regime that its energy scale is of order M{sub P}/100 ∼ 10{sup 16}GeV and the horizon exit takes place in this energy scale. We also examine an idea in our non-canonical model to overcome the central drawback of intermediate inflation which is the fact that inflation never ends. We solve this problem without disturbing significantly the nature of the intermediate inflation until the time of horizon exit.

  16. Palladium-Catalysed Coupling Reactions

    NARCIS (Netherlands)

    de Vries, Johannes G.; Beller, M; Blaser, HU

    2012-01-01

    Palladium-catalysed coupling reactions have gained importance as a tool for the production of pharmaceutical intermediates and to a lesser extent also for the production of agrochemicals, flavours and fragrances, and monomers for polymers. In this review only these cases are discussed where it seems

  17. Parallel coupling of symmetric and asymmetric exclusion processes

    International Nuclear Information System (INIS)

    Tsekouras, K; Kolomeisky, A B

    2008-01-01

    A system consisting of two parallel coupled channels where particles in one of them follow the rules of totally asymmetric exclusion processes (TASEP) and in another one move as in symmetric simple exclusion processes (SSEP) is investigated theoretically. Particles interact with each other via hard-core exclusion potential, and in the asymmetric channel they can only hop in one direction, while on the symmetric lattice particles jump in both directions with equal probabilities. Inter-channel transitions are also allowed at every site of both lattices. Stationary state properties of the system are solved exactly in the limit of strong couplings between the channels. It is shown that strong symmetric couplings between totally asymmetric and symmetric channels lead to an effective partially asymmetric simple exclusion process (PASEP) and properties of both channels become almost identical. However, strong asymmetric couplings between symmetric and asymmetric channels yield an effective TASEP with nonzero particle flux in the asymmetric channel and zero flux on the symmetric lattice. For intermediate strength of couplings between the lattices a vertical-cluster mean-field method is developed. This approximate approach treats exactly particle dynamics during the vertical transitions between the channels and it neglects the correlations along the channels. Our calculations show that in all cases there are three stationary phases defined by particle dynamics at entrances, at exits or in the bulk of the system, while phase boundaries depend on the strength and symmetry of couplings between the channels. Extensive Monte Carlo computer simulations strongly support our theoretical predictions. Theoretical calculations and computer simulations predict that inter-channel couplings have a strong effect on stationary properties. It is also argued that our results might be relevant for understanding multi-particle dynamics of motor proteins

  18. Application of Coupled-Wave Wentzel-Kramers-Brillouin Approximation to Ground Penetrating Radar

    Directory of Open Access Journals (Sweden)

    Igor Prokopovich

    2017-12-01

    Full Text Available This paper deals with bistatic subsurface probing of a horizontally layered dielectric half-space by means of ultra-wideband electromagnetic waves. In particular, the main objective of this work is to present a new method for the solution of the two-dimensional back-scattering problem arising when a pulsed electromagnetic signal impinges on a non-uniform dielectric half-space; this scenario is of interest for ground penetrating radar (GPR applications. For the analytical description of the signal generated by the interaction of the emitted pulse with the environment, we developed and implemented a novel time-domain version of the coupled-wave Wentzel-Kramers-Brillouin approximation. We compared our solution with finite-difference time-domain (FDTD results, achieving a very good agreement. We then applied the proposed technique to two case studies: in particular, our method was employed for the post-processing of experimental radargrams collected on Lake Chebarkul, in Russia, and for the simulation of GPR probing of the Moon surface, to detect smooth gradients of the dielectric permittivity in lunar regolith. The main conclusions resulting from our study are that our semi-analytical method is accurate, radically accelerates calculations compared to simpler mathematical formulations with a mostly numerical nature (such as the FDTD technique, and can be effectively used to aid the interpretation of GPR data. The method is capable to correctly predict the protracted return signals originated by smooth transition layers of the subsurface dielectric medium. The accuracy and numerical efficiency of our computational approach make promising its further development.

  19. An improved intermediate resonance method for heterogeneous media

    International Nuclear Information System (INIS)

    Chiovato, O.; Corno, S.; Pasquantonio, F.Di.

    1977-01-01

    A new formulation is described of the Intermediate Resonance method which incorporates the previous developments suitably modified and improved, together with some new contributions. The 'intermediate' character is directly introduced in the integral operator K, allowing a more rigorous deduction of the equations for evaluating the intermediate parameters related to the nuclides involved in the system. There is no limit to the number of internal (admixed in the fuel) and external moderators. The capability to take into account the interference scattering has been extended to heterogeneous systems. The Doppler broadening is described by means of new accurate rational approximations to the broadened line shape psi. Finally the use of energy mean values suitably defined refines the values of the resonance integrals and resonance absorption cross sections. The Intermediate Resonance method so extended and improved, has been coded in a group of FORTRAN routines, which have been inserted as a calculation option in the fast section of the GGC code for the evaluation of multigroup cross sections. A series of calculations has been carried out, using these routines, and comparisons have been made with Monte Carlo and Nordheim's methods. The results obtained show that the Intermediate Resonance method developed in the present work offers considerable advantages over Nordheim's method: better accuracy in evaluating resonance absorption cross sections, and much smaller computing times. (author)

  20. Multipole analyses and photo-decay couplings at intermediate energies

    International Nuclear Information System (INIS)

    Workman, R.L.; Arndt, R.A.; Zhujun Li

    1992-01-01

    The authors describe the results of several multipole analyses of pion-photoproduction data to 2 GeV in the lab photon energy. Comparisons are made with previous analyses. The photo-decay couplings for the delta are examined in detail. Problems in the representation of photoproduction data are discussed, with an emphasis on the recent LEGS data. 16 refs., 4 tabs

  1. An analytic Pade-motivated QCD coupling

    International Nuclear Information System (INIS)

    Martinez, H. E.; Cvetic, G.

    2010-01-01

    We consider a modification of the Minimal Analytic (MA) coupling of Shirkov and Solovtsov. This modified MA (mMA) coupling reflects the desired analytic properties of the space-like observables. We show that an approximation by Dirac deltas of its discontinuity function ρ is equivalent to a Pade(rational) approximation of the mMA coupling that keeps its analytic structure. We propose a modification to mMA that, as preliminary results indicate, could be an improvement in the evaluation of low-energy observables compared with other analytic couplings.

  2. Second-order symmetric eikonal approximation for electron capture at high energies

    Energy Technology Data Exchange (ETDEWEB)

    Deco, G R; Rivarola, R D [Rosario Univ. Nacional (Argentina). Dept. de Fisica

    1985-06-14

    A symmetric eikonal approximation for electron capture in ion-atom collisions at high energies has been developed within the Dodd and Greider (1966, Phys. Rev. 146 675) formalism. Implicit intermediate states are included through the choice of distorted initial and final wavefunctions. Explicit intermediate state are considered by the introduction of a free-particle Green's function G/sup +//sub 0/. The model is applied for the resonant charge exchange in H/sup +/+H(1s) collisions. Also, the characteristic dip of the continuum distorted-wave model is analysed when higher orders are included at 'realistic' high energies.

  3. ''Super-radiant'' states in intermediate energy nuclear physics

    International Nuclear Information System (INIS)

    Auerbach, N.

    1994-01-01

    A ''super-radiant'' state emerges when, under certain conditions, one or a few ''internal'' states acquire a large collective decay width due to the coupling to one or a few ''external'' decay channels. The rest of the internal states are ''stripped'' of their decay width and become long lived quasistationary states. The essentials of such mechanism and its possible role in intermediate energy nuclear physics are discussed in this work

  4. Theory of inelastic electron tunneling from a localized spin in the impulsive approximation.

    Science.gov (United States)

    Persson, Mats

    2009-07-31

    A simple expression for the conductance steps in inelastic electron tunneling from spin excitations in a single magnetic atom adsorbed on a nonmagnetic metal surface is derived. The inelastic coupling between the tunneling electron and the spin is via the exchange coupling and is treated in an impulsive approximation using the Tersoff-Hamann approximation for the tunneling between the tip and the sample.

  5. Approximations of quantum-graph vertex couplings by singularly scaled potentials

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Manko, S. S.

    2013-01-01

    Roč. 46, č. 34 (2013), s. 345202 ISSN 1751-8113 R&D Projects: GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : Schrödinger operators * vertex coupling Subject RIV: BE - Theoretical Physics Impact factor: 1.687, year: 2013 http://iopscience.iop.org/1751-8121/46/34/345202/pdf/1751-8121_46_34_345202.pdf

  6. Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Γ-point approximation

    KAUST Repository

    Yi, Yuanping

    2012-01-01

    There is currently increasing interest in understanding the impact of the nonlocal (Peierls-type) electron-phonon mechanism on charge transport in organic molecular semiconductors. Most estimates of the non-local coupling constants reported in the literature are based on the Γ-point phonon modes. Here, the influence of phonon modes spanning the entire Brillouin zone (phonon dispersion) on the nonlocal electron-phonon couplings is investigated for the pentacene crystal. The phonon modes are obtained by using a supercell approach. The results underline that the overall nonlocal couplings are substantially underestimated by calculations taking sole account of the phonons at the Γ point of the unit cell. The variance of the transfer integrals based on Γ-point normal-mode calculations at room temperature is underestimated in some cases by 40% for herringbone-type dimers and by over 80% for cofacial dimers. Our calculations show that the overall coupling is somewhat larger for holes than for electrons. The results also suggest that the interactions of charge carriers (both electrons and holes) with acoustic and optical phonons are comparable. Therefore, an adequate description of the charge-transport properties in pentacene and similar systems requires that these two electron-phonon coupling mechanisms be treated on the same footing. © 2012 American Institute of Physics.

  7. Intermediate Models of Planetary Circulations in the Atmosphere and Ocean.

    Science.gov (United States)

    McWilliams, James C.; Gent, Peter R.

    1980-08-01

    Large-scale extratropical motions (with dimensions comparable to, or somewhat smaller than, the planetary radius) in the atmosphere and ocean exhibit a more restricted range of phenomena than are admissible in the primitive equations for fluid motions, and there have been many previous proposals for simpler, more phenomenologically limited models of these motions. The oldest and most successful of these is the quasi-geostrophic model. An extensive discussion is made of models intermediate between the quasi-geostrophic and primitive ones, some of which have been previously proposed [e.g., the balance equations (BE), where tendencies in the equation for the divergent component of velocity are neglected, or the geostrophic momentum approximation (GM), where ageostrophic accelerations are neglected relative to geostrophic ones] and some of which are derived here. Virtues of these models are assessed in the dual measure of nearly geostrophic momentum balance (i.e., small Rossby number) and approximate frontal structure (i.e., larger along-axis velocities and length scales than their cross-axis counterparts), since one or both of these circumstances is usually characteristic of planetary motions. Consideration is also given to various coordinate transformations, since they can yield simpler expressions for the governing differential equations of the intermediate models. In particular, a new set of coordinates is proposed, isentropic geostrophic coordinates,(IGC), which has the advantage of making implicit the advections due to ageostrophic horizontal and vertical velocities under various approximations. A generalization of quasi-geostrophy is made. named hypo-geostrophy (HG), which is an asymptotic approximation of one higher order accuracy in Rossby number. The governing equations are simplest in IGC for both HG and GM; we name the latter in these coordinates isentropic semi-geostrophy (ISG), in analogy to Hoskins' (1975) semi-geostrophy (SG). HG, GM and BE are, in our

  8. Role of interference of states of intermediate nuclei in exchange processes

    International Nuclear Information System (INIS)

    Belyaeva, T.L.; Zelenskaya, N.S.; Teplov, I.B.

    1982-01-01

    Role of interference of intermediate nucleus states for exchange processes in reactions with alpha particles on 11 B, 7 Li and 6 Li light nuclei was investigated when considering exactly the process dynamics in the method of distorted waves with a finite interaction radius. The process dynamics, in particular, the overlapping degree of wave functions of bound states and interaction potentials, affects considerably the reaction cross section in the rections with alpha particles on nuclei of 1p shell. If in the reaction selection rules permit the excitation of components of intermediate system states with maximum values of #betta# 1 and #betta# 2 orbital moments at the given N 1 and N 2 , the contribution of such components to the cross section will be determining. When components of intermediate system states with maximum #betta# 1 (or #betta# 2 ) are forbidden with selection rules, several intermediate states can have approximately similar overlapping integrals

  9. INTERMEDIATE STAGES OF REACTIONS FORMING CARBIDES OF TITANIUM, ZIRCONIUM, VANADIUM, NIOBIUM, AND TANTALIUM

    Science.gov (United States)

    intermediate and final products, and also during the calculation of approximate heat values of their formation, the passage of the reaction is confirmed...for obtaining TiC, and ZrC through the stage of intermediate oxides Ti2O3, Ti3O5, TiO and Zr2O3, ZrO, respectively and also for the reaction of...forming carbides of V (from V2O3 + 5C), of Nb and Ta (from Nb2O5 + 7C and Ta205 + 7C) through the stage of intermediate oxides VO, V4O and TaO2, Ta4O. The

  10. Improved ensemble-mean forecast skills of ENSO events by a zero-mean stochastic model-error model of an intermediate coupled model

    Science.gov (United States)

    Zheng, F.; Zhu, J.

    2015-12-01

    To perform an ensemble-based ENSO probabilistic forecast, the crucial issue is to design a reliable ensemble prediction strategy that should include the major uncertainties of a forecast system. In this study, we developed a new general ensemble perturbation technique to improve the ensemble-mean predictive skill of forecasting ENSO using an intermediate coupled model (ICM). The model uncertainties are first estimated and analyzed from EnKF analysis results through assimilating observed SST. Then, based on the pre-analyzed properties of the model errors, a zero-mean stochastic model-error model is developed to mainly represent the model uncertainties induced by some important physical processes missed in the coupled model (i.e., stochastic atmospheric forcing/MJO, extra-tropical cooling and warming, Indian Ocean Dipole mode, etc.). Each member of an ensemble forecast is perturbed by the stochastic model-error model at each step during the 12-month forecast process, and the stochastical perturbations are added into the modeled physical fields to mimic the presence of these high-frequency stochastic noises and model biases and their effect on the predictability of the coupled system. The impacts of stochastic model-error perturbations on ENSO deterministic predictions are examined by performing two sets of 21-yr retrospective forecast experiments. The two forecast schemes are differentiated by whether they considered the model stochastic perturbations, with both initialized by the ensemble-mean analysis states from EnKF. The comparison results suggest that the stochastic model-error perturbations have significant and positive impacts on improving the ensemble-mean prediction skills during the entire 12-month forecast process. Because the nonlinear feature of the coupled model can induce the nonlinear growth of the added stochastic model errors with model integration, especially through the nonlinear heating mechanism with the vertical advection term of the model, the

  11. Dynamical Mean Field Approximation Applied to Quantum Field Theory

    CERN Document Server

    Akerlund, Oscar; Georges, Antoine; Werner, Philipp

    2013-12-04

    We apply the Dynamical Mean Field (DMFT) approximation to the real, scalar phi^4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the approximation in two, three, four and five dimensions. The quantities considered in these tests are the critical coupling for the transition to the ordered phase and the associated critical exponents nu and beta. We also map out the phase diagram in four dimensions. In two and three dimensions, DMFT incorrectly predicts a first order phase transition for all bare quartic couplings, which is problematic, because the second order nature of the phase transition of lattice phi^4-theory is crucial for taking the continuum limit. Nevertheless, by extrapolating the behaviour away from the phase transition, one can obtain critical couplings and critical exponents. They differ from those of mean field theory and are much closer to the correct values. In four dimensions the transition is sec...

  12. Intermediate Energy Activation File (IEAF-99)

    International Nuclear Information System (INIS)

    Korovin, Yu.; Konobeev, A.; Pereslavtsev, P.; Stankovskij, A.; Fischer, U.; Moellendorff, U. von

    1999-01-01

    Nuclear data library IEAF-99, elaborated to study processes of interactions of intermediate energy neutrons with materials in accelerator driven systems, is described. The library is intended for activation and transmutation studies for materials irradiated by neutrons. IEAF-99 contains evaluated neutron induced reaction cross sections at the energies 0-150 MeV for 665 stable and unstable nuclei from C to Po. Approximately 50,000 excitation functions are included in the library. The IEAF-99 data are written in the ENDF-6 format combining MF = 3,6 MT = 5 data recording. (author)

  13. The reactive content of the proton-nucleus impulse - approximation Dirac optical potential

    International Nuclear Information System (INIS)

    Carlson, B.V.; Isidro Filho, M.P.; Hussein, M.S.

    1984-01-01

    The total reaction cross sections for intermediate energy proton scattering on 40 Ca and 208 Pb are calculated within the Dirac-Eikonal formalism. Comparison with data indicate that the recently proposed impulse-approximation Dirac optical potential for nucleon-nucleus scattering, is not absorptive enough. (Author) [pt

  14. Dual Expander Cycle Rocket Engine with an Intermediate, Closed-cycle Heat Exchanger

    Science.gov (United States)

    Greene, William D. (Inventor)

    2008-01-01

    A dual expander cycle (DEC) rocket engine with an intermediate closed-cycle heat exchanger is provided. A conventional DEC rocket engine has a closed-cycle heat exchanger thermally coupled thereto. The heat exchanger utilizes heat extracted from the engine's fuel circuit to drive the engine's oxidizer turbomachinery.

  15. Holocene glacier variability: three case studies using an intermediate-complexity climate model

    NARCIS (Netherlands)

    Weber, S.L.; Oerlemans, J.

    2003-01-01

    Synthetic glacier length records are generated for the Holocene epoch using a process-based glacier model coupled to the intermediate-complexity climate model ECBilt. The glacier model consists of a massbalance component and an ice-flow component. The climate model is forced by the insolation change

  16. The new intermediate long-bursting source XTE J1701-407

    DEFF Research Database (Denmark)

    Falanga, M.; Cumming, A.; Bozzo, E.

    2009-01-01

    functions with e-folding times of tau(1) = 40 +/- 3 s and tau(2) = 221 +/- 9 s. The bursts occurred at a persistent luminosity of L-per = 8.3 x 10(36) erg s(-1) (approximate to 2.2% of the Eddington luminosity). For the intermediate long-burst, the mass accretion rate per unit area onto the neutron star...

  17. State-selective charge transfer and excitation in ion-ion interactions at intermediate and high energies

    International Nuclear Information System (INIS)

    Samanta, R; Purkait, M

    2012-01-01

    Boundary Corrected Continuum Intermediate State (BCCIS) approximation and Classical Trajectory Monte Carlo (CTMC) methods are applied to calculate the charge transfer and excitation cross sections for ion-ion collisions.

  18. A liquid He-3 target system for use at intermediate energies

    International Nuclear Information System (INIS)

    Hassell, D.K.; Abegg, R.; Murdoch, B.T.; van Oers, W.J.H.; Soukup, J.

    1981-04-01

    A liquid 3 He target system with remote instrumentation and handling capabilities has been developed for experiments using the 180-525 MeV TRIUMF cyclotron. Helium-3 gas is liquefied by means of a 4 He cryostat into a cylindrical target cell (4.4 cm diameter, 1.6 cm thick) and maintained during operation at approximately 1.6 K. This provides an areal target density of approximately 2.7 x 10 22 He-3 nuclei/cm 2 (128 mg/cm 2 ), suitable for intermediate energy proton scattering. (author)

  19. Physical Applications of a Simple Approximation of Bessel Functions of Integer Order

    Science.gov (United States)

    Barsan, V.; Cojocaru, S.

    2007-01-01

    Applications of a simple approximation of Bessel functions of integer order, in terms of trigonometric functions, are discussed for several examples from electromagnetism and optics. The method may be applied in the intermediate regime, bridging the "small values regime" and the "asymptotic" one, and covering, in this way, an area of great…

  20. Extended quasiparticle approximation for relativistic electrons in plasmas

    Directory of Open Access Journals (Sweden)

    V.G.Morozov

    2006-01-01

    Full Text Available Starting with Dyson equations for the path-ordered Green's function, it is shown that the correlation functions for relativistic electrons (positrons in a weakly coupled non-equilibrium plasmas can be decomposed into sharply peaked quasiparticle parts and off-shell parts in a rather general form. To leading order in the electromagnetic coupling constant, this decomposition yields the extended quasiparticle approximation for the correlation functions, which can be used for the first principle calculation of the radiation scattering rates in QED plasmas.

  1. High-field transport of electrons and radiative effects using coupled force-balance and Fokker-Planck equations beyond the relaxation-time approximation

    International Nuclear Information System (INIS)

    Huang, Danhong; Apostolova, T.; Alsing, P.M.; Cardimona, D.A.

    2004-01-01

    The dynamics of a many-electron system under both dc and infrared fields is separated into a center-of-mass and a relative motion. The first-order force-balance equation is employed for the slow center-of-mass motion of electrons, and the Fokker-Planck equation is used for the ultrafast relative scattering motion of degenerate electrons. This approach allows us to include the anisotropic energy-relaxation process which has been neglected in the energy-balance equation in the past. It also leads us to include the anisotropic coupling to the incident infrared field with different polarizations. Based on this model, the transport of electrons is explored under strong dc and infrared fields by going beyond the relaxation-time approximation. The anisotropic dependence of the electron distribution function on the parallel and perpendicular kinetic energies of electrons is displayed with respect to the dc field direction, and the effect of anisotropic coupling to an incident infrared field with polarizations parallel and perpendicular to the applied dc electric field is shown. The heating of electrons is more accurately described beyond the energy-balance equation with the inclusion of an anisotropic coupling to the infrared field. The drift velocity of electrons is found to increase with the amplitude of the infrared field due to a suppressed momentum-relaxation process (or frictional force) under parallel polarization but decreases with the amplitude due to an enhanced momentum-relaxation process under perpendicular polarization

  2. Synchronization Experiments With A Global Coupled Model of Intermediate Complexity

    Science.gov (United States)

    Selten, Frank; Hiemstra, Paul; Shen, Mao-Lin

    2013-04-01

    In the super modeling approach an ensemble of imperfect models are connected through nudging terms that nudge the solution of each model to the solution of all other models in the ensemble. The goal is to obtain a synchronized state through a proper choice of connection strengths that closely tracks the trajectory of the true system. For the super modeling approach to be successful, the connections should be dense and strong enough for synchronization to occur. In this study we analyze the behavior of an ensemble of connected global atmosphere-ocean models of intermediate complexity. All atmosphere models are connected to the same ocean model through the surface fluxes of heat, water and momentum, the ocean is integrated using weighted averaged surface fluxes. In particular we analyze the degree of synchronization between the atmosphere models and the characteristics of the ensemble mean solution. The results are interpreted using a low order atmosphere-ocean toy model.

  3. Mediterranean intermediate circulation estimated from Argo data in 2003–2010

    Directory of Open Access Journals (Sweden)

    M. Menna

    2010-03-01

    Full Text Available Data from 38 Argo profiling floats are used to describe the intermediate Mediterranean currents for the period October 2003–January 2010. These floats were programmed to execute 5-day cycles, to drift at a neutral parking depth of 350 m and measure temperature and salinity profiles from either 700 or 2000 m up to the surface. At the end of each cycle the floats remained at the sea surface for about 6 h, enough time to be localised and transmit the data to the Argos satellite system. The Argos positions were used to determine the float surface and intermediate displacements. At the surface, the float motion was approximated by a linear displacement and inertial motion. Intermediate velocities estimates were used to investigate the Mediterranean circulation at 350 m, to compute the pseudo-Eulerian statistics and to study the influence of bathymetry on the intermediate currents. Maximum speeds, as large as 33 cm/s, were found northeast of the Balearic Islands (western basin and in the Ierapetra eddy (eastern basin. Typical speeds in the main along-slope currents (Liguro-Provençal-Catalan, Algerian and Libyo-Egyptian Currents were ~20 cm/s. In the central and western part of Mediterranean basin, the pseudo-Eulerian statistics show typical intermediate circulation pathways which can be related to the motion of Levantine Intermediate Water. In general our results agree with the qualitative intermediate circulation schemes proposed in the literature, except in the southern Ionian where we found westward-flowing intermediate currents. Fluctuating currents appeared to be usually larger than the mean flow. Intermediate currents were found to be essentially parallel to the isobaths over most of the areas characterized by strong bathymetry gradients, in particular, in the vicinity of the continental slopes.

  4. MCNP5 CRITICALITY VALIDATION AND BIAS FOR INTERMEDIATE ENRICHED URANIUM SYSTEMS

    International Nuclear Information System (INIS)

    Finfrock, S.H.

    2009-01-01

    The purpose of this analysis is to validate the Monte Carlo N-Particle 5 (MCNP5) code Version 1.40 (LA-UR-03-1987, 2005) and its cross-section database for k-code calculations of intermediate enriched uranium systems on INTEL(reg s ign) processor based PC's running any version of the WINDOWS operating system. Configurations with intermediate enriched uranium were modeled with the moderator range of 39 (le) H/Fissile (le) 1438. See Table 2-1 for brief descriptions of selected cases and Table 3-1 for the range of applicability for this validation. A total of 167 input cases were evaluated including bare and reflected systems in a single body or arrays. The 167 cases were taken directly from the previous (Version 4C [Lan 2005]) validation database. Section 2.0 list data used to calculate k-effective (k eff ) for the 167 experimental criticality benchmark cases using the MCNP5 code v1.40 and its cross section database. Appendix B lists the MCNP cross-section database entries validated for use in evaluating the intermediate enriched uranium systems for criticality safety. The dimensions and atom densities for the intermediate enriched uranium experiments were taken from NEA/NSC/DOC(95)03, September 2005, which will be referred to as the benchmark handbook throughout the report. For these input values, the experimental benchmark k eff is approximately 1.0. The MCNP validation computer runs ran to an accuracy of approximately ± 0.001. For the cases where the reported benchmark k eff was not equal to 1.0000 the MCNP calculational results were normalized. The difference between the MCNP validation computer runs and the experimentally measured k eff is the MCNP5 v1.40 bias. The USLSTATS code (ORNL 1998) was utilized to perform the statistical analysis and generate an acceptable maximum k eff limit for calculations of the intermediate enriched uranium type systems.

  5. Factorized distorted wave approximation for the (e,2e) reaction on atoms : coplanar symmetric

    International Nuclear Information System (INIS)

    Fuss, I.; McCarthy, I.E.; Noble, C.J.; Weigold, E.

    1977-02-01

    The coplanar symmetric (e,2e) cross section has been studied in the intermediate energy region for the valence states of the inert gases He, Ar and Ne. Experimental measurements at 200, 400, 800, and 1200eV for He, and at 400, 800 and 1200eV for Ne and Ar, are compared with calculations based on the factorized half-off-shell distorted-wave impulse approximation. Calculations are carried out using partial wave expanded optical model wave functions which describe elastic scattering for the distorted waves, the eikonal approximation, and the plane wave approximation. (Author)

  6. Space-angle approximations in the variational nodal method

    International Nuclear Information System (INIS)

    Lewis, E. E.; Palmiotti, G.; Taiwo, T.

    1999-01-01

    The variational nodal method is formulated such that the angular and spatial approximations maybe examined separately. Spherical harmonic, simplified spherical harmonic, and discrete ordinate approximations are coupled to the primal hybrid finite element treatment of the spatial variables. Within this framework, two classes of spatial trial functions are presented: (1) orthogonal polynomials for the treatment of homogeneous nodes and (2) bilinear finite subelement trial functions for the treatment of fuel assembly sized nodes in which fuel-pin cell cross sections are represented explicitly. Polynomial and subelement trial functions are applied to benchmark water-reactor problems containing MOX fuel using spherical harmonic and simplified spherical harmonic approximations. The resulting accuracy and computing costs are compared

  7. Microstructural and magnetic properties of L10 FePt-C (0 0 1) textured nanocomposite films grown on different intermediate layers

    International Nuclear Information System (INIS)

    Chen, J S; Chow, G M; Lim, B C; Hu, J F; Ding, Y F; Ju, G

    2008-01-01

    The FePt : C films with different volume fractions of carbon and different thicknesses were epitaxially grown on a CrRu(2 0 0) underlayer with Pt and MgO intermediate layers. The magnetic properties and microstructure of these FePt : C films were investigated. The FePt : C films grown on the Pt intermediate layer consisted of a continuous layer of FePt, with overlying granular FePt grains, while the FePt : C films grown on the MgO intermediate layer consisted of granular FePt : C layers with overlying granular grains. The formation of the overlying granular FePt grains was attributed to carbon diffusion to the surface which resulted in the second nucleation of FePt. The different interface energies and surface energies of FePt on Pt and MgO intermediate layers caused the formation of an initial continuous FePt layer on the Pt intermediate layer and initial granular FePt layers on the MgO intermediate layer. The coupling between the continuous FePt layer or the granular FePt layer and the overlying granular FePt grains resulted in simultaneous magnetization reversal and thus strong exchange coupling in FePt : C films.

  8. Gross–Tulub polaron functional in the region of intermediate and strong coupling

    Directory of Open Access Journals (Sweden)

    N.I. Kashirina

    2017-10-01

    Full Text Available Properties of the polaron functional obtained as a result of averaging the Fröhlich Hamiltonian on the translation-invariant function have been investigated. The polaron functional can be represented in two different forms. It has been shown that the functional of translationally invariant Gross–Tulub polaron cannot be applied in the strong coupling region, where the real part of the complex quantity takes negative values. The function coincides in its structure with the dynamic susceptibility of degenerate electron gas. The necessary condition for obtaining correct results is investigation of the region of admissible values of the Gross–Tulub functional depending on properties of the function , variational parameters, and the electron-phonon interaction parameter α (Fröhlich coupling constant. A simple and exact formula for the recoil energy of the translationally invariant polaron has been derived, which makes it possible to extend the range of admissible values of the parameters of the electron-phonon interaction to the region of extremely strong coupling (α > 10, where . Numerical investigation of different forms of polaron functionals obtained using the field theory methods has been carried out.

  9. Relaxation and Numerical Approximation of a Two-Fluid Two-Pressure Diphasic Model

    International Nuclear Information System (INIS)

    Ambroso, A.; Chalons, Ch.; Galie, Th.; Chalons, Ch.; Coquel, F.; Coquel, F.

    2009-01-01

    This paper is concerned with the numerical approximation of the solutions of a two-fluid two-pressure model used in the modelling of two-phase flows. We present a relaxation strategy for easily dealing with both the nonlinearities associated with the pressure laws and the nonconservative terms that are inherently present in the set of convective equations and that couple the two phases. In particular, the proposed approximate Riemann solver is given by explicit formulas, preserves the natural phase space, and exactly captures the coupling waves between the two phases. Numerical evidences are given to corroborate the validity of our approach. (authors)

  10. The chiral Ward-Takahashi identity in the ladder approximation

    International Nuclear Information System (INIS)

    Kugo, Taichiro; Mitchard, M.G.

    1992-01-01

    We show that the ladder approximation to the Schwinger-Dyson and Bethe-Salpeter equations preserves the Ward-Takahashi identity for the axial vector vertex if and only if we use the gluon momentum as the argument of the running coupling constant. However, in the usual Landau gauge this is inconsistent with the vector Ward identity. We propose a new method for making the ladder approximation scheme consistent with both vector and axial vector Ward identities. (orig.)

  11. Variational random phase approximation for the anharmonic oscillator

    International Nuclear Information System (INIS)

    Dukelsky, J.; Schuck, P.

    1990-04-01

    The recently derived Variational Random Phase Approximation is examined using the anharmonic oscillator model. Special attention is paid to the ground state RPA wave function and the convergence of the proposed truncation scheme to obtain the diagonal density matrix. Comparison with the standard Coupled Cluster method is made

  12. Incredible negative values of effective electromechanical coupling coefficient for surface acoustic waves in piezoelectrics.

    Science.gov (United States)

    Mozhaev, V G; Weihnacht, M

    2000-07-01

    The extraordinary case of increase in velocity of surface acoustic waves (SAW) caused by electrical shorting of the surface of the superstrong piezoelectric crystal potassium niobate, KNbO3, is numerically found. The explanation of this effect is based on considering SAWs as coupled Rayleigh and Bleustein-Gulyaev modes. A general procedure of approximate decoupling of the modes is suggested for piezoelectric crystals of arbitrary anisotropy. The effect under study takes place when the phase velocity of uncoupled sagittally polarized Rayleigh waves is intermediate between the phase velocities of uncoupled shear-horizontal Bleustein Gulyaev waves at the free and metallized surfaces. In this case, the metallization of the surface by an infinitely thin layer may cause a crossover of the velocity curves of the uncoupled waves. The presence of the mode coupling results in splitting of the curves with transition from one uncoupled branch to the other. This transition is responsible for the increase in SAW velocity, which appears to be greater than its common decrease produced by electrical shorting of the substrate surface.

  13. Chloride effect on the early photolysis intermediates of a gecko cone-type visual pigment.

    Science.gov (United States)

    Lewis, J W; Liang, J; Ebrey, T G; Sheves, M; Kliger, D S

    1995-05-02

    Nanosecond laser photolysis measurements were conducted on the cone-type visual pigment P521 in digitonin extracts of Tokay gecko (Gekko gekko) retina containing physiological chloride ion levels and also on samples which had been chloride depleted or which contained high levels (4 M) of chloride. Absorbance difference spectra were recorded at a sequence of time delays from 30 ns to 60 microseconds following excitation with a pulse of either 532- or 477-nm actinic light. Global analysis showed the kinetic decay data for gecko pigment P521 to be best fit by two exponential processes under all chloride conditions. The initial photoproduct detected had a broad spectrum characteristic of an equilibrated mixture of a Batho P521 intermediate with its blue-shifted intermediate (BSI P521) decay product. The first exponential process was assigned to the decay of this mixture to the Lumi P521 intermediate. The second exponential process was identified as the decay of Lumi P521 to Meta I P521. The initial photoproduct's spectrum exhibited a strong dependence on chloride concentration, indicating that chloride affects the composition of the equilibrated mixture of Batho P521 and BSI P521. These results suggest that the affinity for chloride is reduced approximately 5-fold in the Batho P521 intermediate and approximately 50-fold in the BSI P521 intermediate. Chloride concentration also affects the apparent decay rate of the equilibrated mixture. When the apparent decay rate is corrected for the composition of the equilibrated mixture, a relatively invariant microscopic rate constant is obtained for BSI decay (k = 1/55 ns-1).(ABSTRACT TRUNCATED AT 250 WORDS)

  14. Intermediate treatments

    Science.gov (United States)

    John R. Jones; Wayne D. Shepperd

    1985-01-01

    Intermediate treatments are those applied after a new stand is successfully established and before the final harvest. These include not only intermediate cuttings - primarily thinning - but also fertilization, irrigation, and protection of the stand from damaging agents.

  15. Implementation of the CCGM approximation for surface diffraction using Wigner R-matrix theory

    International Nuclear Information System (INIS)

    Lauderdale, J.G.; McCurdy, C.W.

    1983-01-01

    The CCGM approximation for surface scattering proposed by Cabrera, Celli, Goodman, and Manson [Surf. Sci. 19, 67 (1970)] is implemented for realistic surface interaction potentials using Wigner R-matrix theory. The resulting procedure is highly efficient computationally and is in no way limited to hard wall or purely repulsive potentials. Comparison is made with the results of close-coupling calculations of other workers which include the same diffraction channels in order to fairly evaluate the CCGM approximation which is an approximation to the coupled channels Lippman--Schwinger equation for the T matrix. The shapes of selective adsorption features, whether maxima or minima, in the scattered intensity are well represented in this approach for cases in which the surface corrugation is not too strong

  16. Soft electromagnetic bremsstrahlung in inelastic hadronic collisions at high and intermediate energies

    International Nuclear Information System (INIS)

    Rueckl, R.

    1978-01-01

    Electromagnetic bremsstrahlung in hadronic collisions was studied extensively at low and intermediate energies. It was found that the infrared divergent term of the cross section describes the data well up to surprisingly large photon energies. Using essentially the same soft photon approximation, production of low mass-low energy electron pairs via internal conversion of soft virtual bremsstrahlung accompanying the production of charged hadrons in hadron-hadron collisions at very high and intermediate energies. The resulting electron yields explain, at least in part, the direct electrons with small transverse momenta seen at the ISR, and are in no contradiction to the rates observed at LAMPF

  17. An approximate method for lateral stability analysis of wall-frame ...

    Indian Academy of Sciences (India)

    Initially the stability differential equation of this equivalent sandwich beam is ... buckling loads of coupled shear-wall structures using continuous medium ... In this study, an approximate method based on continuum system model and transfer.

  18. SAM revisited: uniform semiclassical approximation with absorption

    International Nuclear Information System (INIS)

    Hussein, M.S.; Pato, M.P.

    1986-01-01

    The uniform semiclassical approximation is modified to take into account strong absorption. The resulting theory, very similar to the one developed by Frahn and Gross is used to discuss heavy-ion elastic scattering at intermediate energies. The theory permits a reasonably unambiguos separation of refractive and diffractive effects. The systems 12 C+ 12 C and 12 C+ 16 O, which seem to exhibit a remnant of a nuclear rainbow at E=20 Mev/N, are analysed with theory which is built directly on a model for the S-matrix. Simple relations between the fit S-matrix and the underlying complex potential are derived. (Author) [pt

  19. Approximate analysis of high-rise frames with flexible connections

    NARCIS (Netherlands)

    Hoenderkamp, J.C.D.; Snijder, H.H.

    2000-01-01

    An approximate hand method for estimating horizontal deflections in high-rise steel frames with flexible beam–column connections subjected to horizontal loading is presented. The method is developed from the continuous medium theory for coupled walls which is expressed in non-dimensional structural

  20. Prediction of the transition energies of atomic No and Lr by the intermediate Hamiltonian coupled cluster method

    International Nuclear Information System (INIS)

    Borschevsky, A.; Eliav, E.; Kaldor, U.; Vilkas, M.J.; Ishikawa, Y.

    2007-01-01

    Complete text of publication follows: Measurements of the spectroscopic properties of the superheavy elements present a serious challenge to the experimentalist. Their short lifetimes and the low quantities of their production necessitate reliable prediction of transition energies to avoid the need for broad wavelength scans and to assist in identifying the lines. Thus, reliable high-accuracy calculations are necessary prior and parallel to experimental research. Nobelium and Lawrencium are at present the two most likely candidates for spectroscopic measurements, with the first experiments planned at GSI, Darmstadt. The intermediate Hamiltonian (IH) coupled cluster method is applied to the ionization potentials, electron affinities, and excitation energies of atomic nobelium and lawrencium. Large basis sets are used (37s31p26d21f16g11h6i). All levels of a particular atom are obtained simultaneously by diagonalizing the IH matrix. The matrix elements correspond to all excitations from correlated occupied orbitals to virtual orbitals in a large P space, and are 'dressed' by folding in excitations to higher virtual orbitals (Q space) at the coupled cluster singles-and-doubles level. Lamb-shift corrections are included. The same approach was applied to the lighter homologues of Lr and No, lutetium and ytterbium, for which many transition energies are experimentally known, in order to assess the accuracy of the calculation. The average absolute error of 20 excitation energies of Lu is 423 cm -1 , and the error limits for Lr are therefore put at 700 cm -1 . Predicted Lr excitations with large transition moments in the prime range for the planned experiment, 20,000-30,000 cm -1 , are 7p → 8s at 20,100 cm -1 and 7p →p 7d at 28,100 cm -1 . In case of Yb, the calculated ionization potential was within 20 cm -1 of the experiment, and the average error of the 20 lowest calculated excitations was about 300 cm -1 . Hence, the error limits of nobelium are set to 800 cm -1

  1. RCS estimation of linear and planar dipole phased arrays approximate model

    CERN Document Server

    Singh, Hema; Jha, Rakesh Mohan

    2016-01-01

    In this book, the RCS of a parallel-fed linear and planar dipole array is derived using an approximate method. The signal propagation within the phased array system determines the radar cross section (RCS) of phased array. The reflection and transmission coefficients for a signal at different levels of the phased-in scattering array system depend on the impedance mismatch and the design parameters. Moreover the mutual coupling effect in between the antenna elements is an important factor. A phased array system comprises of radiating elements followed by phase shifters, couplers, and terminating load impedance. These components lead to respective impedances towards the incoming signal that travels through them before reaching receive port of the array system. In this book, the RCS is approximated in terms of array factor, neglecting the phase terms. The mutual coupling effect is taken into account. The dependence of the RCS pattern on the design parameters is analyzed. The approximate model is established as a...

  2. Approximate solution for the reactor neutron probability distribution

    International Nuclear Information System (INIS)

    Ruby, L.; McSwine, T.L.

    1985-01-01

    Several authors have studied the Kolmogorov equation for a fission-driven chain-reacting system, written in terms of the generating function G(x,y,z,t) where x, y, and z are dummy variables referring to the neutron, delayed neutron precursor, and detector-count populations, n, m, and c, respectively. Pal and Zolotukhin and Mogil'ner have shown that if delayed neutrons are neglected, the solution is approximately negative binomial for the neutron population. Wang and Ruby have shown that if the detector effect is neglected, the solution, including the effect of delayed neutrons, is approximately negative binomial. All of the authors assumed prompt-neutron emission not exceeding two neutrons per fission. An approximate method of separating the detector effect from the statistics of the neutron and precursor populations has been proposed by Ruby. In this weak-coupling limit, it is assumed that G(x,y,z,t) = H(x,y)I(z,t). Substitution of this assumption into the Kolmogorov equation separates the latter into two equations, one for H(x,y) and the other for I(z,t). Solution of the latter then gives a generating function, which indicates that in the weak-coupling limit, the detector counts are Poisson distributed. Ruby also showed that if the detector effect is neglected in the equation for H(x,y), i.e., the detector efficiency is set to zero, then the resulting equation is identical with that considered by Wang and Ruby. The authors present here an approximate solution for H(x,y) that does not set the detector efficiency to zero

  3. Techniques for heavy-ion coupled-channels calculations. I. Long-range Coulomb coupling

    International Nuclear Information System (INIS)

    Rhoades-Brown, M.; Macfarlane, M.H.; Pieper, S.C.

    1980-01-01

    Direct-reaction calculations for heavy ions require special computational techniques that take advantage of the physical peculiarities of heavy-ion systems. This paper is the first of a series on quantum-mechanical coupled-channels calculations for heavy ions. It deals with the problems posed by the long range of the Coulomb coupling interaction. Our approach is to use the Alder-Pauli factorization whereby the channel wave functions are expressed as products of Coulomb functions and modulating amplitudes. The equations for the modulating amplitudes are used to integrate inwards from infinity to a nuclear matching radius ( approx. = 20 fm). To adequate accuracy, the equations for the amplitudes can be reduced to first order and solved in first Born approximation. The use of the Born approximation leads to rapid recursion relations for the solutions of the Alder-Pauli equations and hence to a great reduction in computational labor. The resulting coupled-channels Coulomb functions can then be matched in the usual way to solutions of the coupled radial equations in the interior region of r space. Numerical studies demonstrate the reliability of the various techniques introduced

  4. An approximate block Newton method for coupled iterations of nonlinear solvers: Theory and conjugate heat transfer applications

    Science.gov (United States)

    Yeckel, Andrew; Lun, Lisa; Derby, Jeffrey J.

    2009-12-01

    A new, approximate block Newton (ABN) method is derived and tested for the coupled solution of nonlinear models, each of which is treated as a modular, black box. Such an approach is motivated by a desire to maintain software flexibility without sacrificing solution efficiency or robustness. Though block Newton methods of similar type have been proposed and studied, we present a unique derivation and use it to sort out some of the more confusing points in the literature. In particular, we show that our ABN method behaves like a Newton iteration preconditioned by an inexact Newton solver derived from subproblem Jacobians. The method is demonstrated on several conjugate heat transfer problems modeled after melt crystal growth processes. These problems are represented by partitioned spatial regions, each modeled by independent heat transfer codes and linked by temperature and flux matching conditions at the boundaries common to the partitions. Whereas a typical block Gauss-Seidel iteration fails about half the time for the model problem, quadratic convergence is achieved by the ABN method under all conditions studied here. Additional performance advantages over existing methods are demonstrated and discussed.

  5. Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response

    Science.gov (United States)

    Caricato, Marco

    2018-04-01

    We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.

  6. Relativistic coupled-cluster-theory analysis of energies, hyperfine-structure constants, and dipole polarizabilities of Cd+

    Science.gov (United States)

    Li, Cheng-Bin; Yu, Yan-Mei; Sahoo, B. K.

    2018-02-01

    Roles of electron correlation effects in the determination of attachment energies, magnetic-dipole hyperfine-structure constants, and electric-dipole (E 1 ) matrix elements of the low-lying states in the singly charged cadmium ion (Cd+) have been analyzed. We employ the singles and doubles approximated relativistic coupled-cluster (RCC) method to calculate these properties. Intermediate results from the Dirac-Hartree-Fock approximation,the second-order many-body perturbation theory, and considering only the linear terms of the RCC method are given to demonstrate propagation of electron correlation effects in this ion. Contributions from important RCC terms are also given to highlight the importance of various correlation effects in the evaluation of these properties. At the end, we also determine E 1 polarizabilities (αE 1) of the ground and 5 p 2P1 /2 ;3 /2 states of Cd+ in the ab initio approach. We estimate them again by replacing some of the E 1 matrix elements and energies from the measurements to reduce their uncertainties so that they can be used in the high-precision experiments of this ion.

  7. Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

    Science.gov (United States)

    Garza, Alejandro J.; Bulik, Ireneusz W.; Alencar, Ana G. Sousa; Sun, Jianwei; Perdew, John P.; Scuseria, Gustavo E.

    2016-04-01

    Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static correlation is present, but neglect substantial amounts of dynamic correlation. In fact, CCD0 and BD0 do not account for any contributions from multielectron excitations involving only same-spin electrons at all. We exploit this feature to add - without introducing double counting, self-interaction, or increase in cost - the missing correlation to these methods via meta-GGA (generalised gradient approximation) density functionals (Tao-Perdew-Staroverov-Scuseria and strongly constrained and appropriately normed). Furthermore, we improve upon these CCD0+DFT blends by invoking range separation: the short- and long-range correlations absent in CCD0/BD0 are evaluated with density functional theory and the direct random phase approximation, respectively. This corrects the description of long-range van der Waals forces. Comprehensive benchmarking shows that the combinations presented here are very accurate for weakly correlated systems, while also providing a reasonable description of strongly correlated problems without resorting to symmetry breaking.

  8. Palladium-Catalyzed Carbenylative Cross-Coupling and Carbenylative Amination Utilizing Vinylcarbenes

    OpenAIRE

    Agee, Christopher

    2017-01-01

    This work focuses on the use of N-tosylhydrazones derived from α,β-unsaturated aldehydes – precursors to vinylcarbene ligands – in palladium-catalyzed carbenylative cross-coupling and carbenylative amination reactions. These carbenylative reactions were used to form η3-allylpalladium intermediates that generate stereogenic centers at the carbene center. An initial acyclic model system was used to intercept a well-known prochiral 1,3-diphenylallyl intermediate to probe the feasibility of enant...

  9. Dynamics and manipulation of entanglement in coupled harmonic systems with many degrees of freedom

    Science.gov (United States)

    Plenio, M. B.; Hartley, J.; Eisert, J.

    2004-03-01

    We study the entanglement dynamics of a system consisting of a large number of coupled harmonic oscillators in various configurations and for different types of nearest-neighbour interactions. For a one-dimensional chain, we provide compact analytical solutions and approximations to the dynamical evolution of the entanglement between spatially separated oscillators. Key properties such as the speed of entanglement propagation, the maximum amount of transferred entanglement and the efficiency for the entanglement transfer are computed. For harmonic oscillators coupled by springs, corresponding to a phonon model, we observe a non-monotonic transfer efficiency in the initially prepared amount of entanglement, i.e. an intermediate amount of initial entanglement is transferred with the highest efficiency. In contrast, within the framework of the rotating-wave approximation (as appropriate, e.g. in quantum optical settings) one finds a monotonic behaviour. We also study geometrical configurations that are analogous to quantum optical devices (such as beamsplitters and interferometers) and observe characteristic differences when initially thermal or squeezed states are entering these devices. We show that these devices may be switched on and off by changing the properties of an individual oscillator. They may therefore be used as building blocks of large fixed and pre-fabricated but programmable structures in which quantum information is manipulated through propagation. We discuss briefly possible experimental realizations of systems of interacting harmonic oscillators in which these effects may be confirmed experimentally.

  10. The boundary-corrected second Born (B2B) approximation: proton-hydrogen electron capture

    International Nuclear Information System (INIS)

    Dewangan, D.P.; Bransden, B.H.

    1988-01-01

    The probability amplitude for proton-hydrogen ground-state electron capture at 125 keV in the boundary-corrected second Born approximation has been evaluated numerically by retaining all significant bound and continuum hydrogenic intermediate states for which the orbital angular momentum l ≤ 3. The differential cross section is found to be in good agreement with the experimental data for scattering angles less than about 1 mrad in the centre of mass system. The value of the boundary-corrected second Born total cross section is similar to that obtained in the boundary-corrected first Born approximation. (author)

  11. Interference scattering effects on intermediate resonance absorption at operating temperatures

    International Nuclear Information System (INIS)

    Goldstein, R.

    1975-01-01

    Resonance integrals may be accurately calculated using the intermediate resonance (IR) approximation. Results are summarized for the case of an absorber with given potential scattering cross sections and interference scattering parameter admixed with a non absorbing moderator of given cross section and located in a narrow resonance moderating medium. From the form of the IR solutions, it is possible to make some general observations about effects of interference scattering on resonance absorption. 2 figures

  12. Neutrino masses in the SO(10) model with intermediate stage of the symmetry breaking

    International Nuclear Information System (INIS)

    Svetovoj, V.B.

    1982-01-01

    An effect for the neutrino masses of an intermediate stage in the symmetry spontaneous breaking, different from SU(5), is investigated in some detail for the SO(1O) model. There are two possibilities depending on the composition of the Higgs sector: i) msub(ν) approximately msub(f)(Msub(W)/Msub(1)); ii) msub(ν) approximately msub(f)sub(b)/Msub(1))(M/Msub(1)), where M, M 1 and Msub) are the scales of the breaking of the original SO(10) simmetry, the intermediate symmetry, and the standard SUsub(c)(3)xSUsub(L)(2)xU(1) symmetry, respectively, and msub(f) is a typical fermion mass. It as shown that a Majorana mass of the right neutrino (νsub(R)) of a purely loop origin would result in a too large mass of the usual neutrinos, so a tree-graph contribution to the mass of νsub(R) is necessary. Numerical estimates for the neutrino masses are discussed [ru

  13. Off-shell properties of the second-order Born approximation for laser-assisted potential scattering

    International Nuclear Information System (INIS)

    Trombetta, F.

    1991-01-01

    A formal method is presented to evaluate the second-order Born approximation of the laser-assisted potential scattering. It is an implicit closure technique that includes intermediate virtual-state transitions and enables one to find the exact explicit expression of the transition amplitude. This is of interest from two standpoints: first, one can deal with ranges of parameters in which the first-order Born approximation is a poor one; second, one can set limits of on-shell approximations that are also widely used to analyze recent laser-assisted experiments. The off-shell character yields new terms in the exact amplitude, and in particular, it is shown to play a crucial role in forward scattering from a long-range potential

  14. A luminous X-ray outburst from an intermediate-mass black hole in an off-centre star cluster

    Science.gov (United States)

    Lin, Dacheng; Strader, Jay; Carrasco, Eleazar R.; Page, Dany; Romanowsky, Aaron J.; Homan, Jeroen; Irwin, Jimmy A.; Remillard, Ronald A.; Godet, Olivier; Webb, Natalie A.; Baumgardt, Holger; Wijnands, Rudy; Barret, Didier; Duc, Pierre-Alain; Brodie, Jean P.; Gwyn, Stephen D. J.

    2018-06-01

    A unique signature for the presence of massive black holes in very dense stellar regions is occasional giant-amplitude outbursts of multi-wavelength radiation from tidal disruption and subsequent accretion of stars that make a close approach to the black holes1. Previous strong tidal disruption event (TDE) candidates were all associated with the centres of largely isolated galaxies2-6. Here, we report the discovery of a luminous X-ray outburst from a massive star cluster at a projected distance of 12.5 kpc from the centre of a large lenticular galaxy. The luminosity peaked at 1043 erg s-1 and decayed systematically over 10 years, approximately following a trend that supports the identification of the event as a TDE. The X-ray spectra were all very soft, with emission confined to be ≲3.0 keV, and could be described with a standard thermal disk. The disk cooled significantly as the luminosity decreased—a key thermal-state signature often observed in accreting stellar-mass black holes. This thermal-state signature, coupled with very high luminosities, ultrasoft X-ray spectra and the characteristic power-law evolution of the light curve, provides strong evidence that the source contains an intermediate-mass black hole with a mass tens of thousand times that of the solar mass. This event demonstrates that one of the most effective means of detecting intermediate-mass black holes is through X-ray flares from TDEs in star clusters.

  15. Collective nuclear excitations with Skyrme-second random-phase approximation

    International Nuclear Information System (INIS)

    Gambacurta, D.; Catara, F.; Grasso, M.

    2010-01-01

    Second random-phase approximation (RPA) calculations with a Skyrme force are performed to describe both high- and low-lying excited states in 16 O. The coupling between one particle-one hole and two particle-two hole as well as that between two particle-two hole configurations among themselves are fully taken into account, and the residual interaction is never neglected; we do not resort therefore to a generally used approximate scheme where only the first kind of coupling is considered. The issue of the rearrangement terms in the matrix elements beyond the standard RPA will be considered in detail in a forthcoming paper. Two approximations are employed here for these rearrangement terms: they are either neglected or evaluated with the RPA procedure. As a general feature of second RPA results, a several-MeV shift of the strength distribution to lower energies is systematically found with respect to RPA distributions. A much more important fragmentation of the strength is also naturally provided by the second RPA owing to the huge number of two particle-two hole configurations. A better description of the excitation energies of the low-lying 0 + and 2 + states is obtained with the second RPA than with the RPA.

  16. Numerical approximations of flow induced vibrations of vocal folds

    Directory of Open Access Journals (Sweden)

    Sváček Petr

    2017-01-01

    Full Text Available The paper focus on mathematical modelling of incompressible fluid flow interacting with vibrations of an elastic vocal fold. The flow in moving domain is modelled by the incompressible Navier-Stokes equations written in the Arbitrary Lagrangian-Eulerian (ALE form. The channel geometry is an approximation of the human glottal region. The flow model is coupled with a simplified structure model. The problem is mathematically described and the resulting fluid-structure interaction problem is discretized by a stabilized finite element method. A strong coupling algorithm is applied for solution of the coupled fluid-structure problem. The choice of boundary conditions is discussed, particularly the choice of different artificial inlet/outlet boundary conditions is described in details. The numerical results are shown.

  17. Numerical approximations of flow induced vibrations of vocal folds

    Science.gov (United States)

    Sváček, Petr

    The paper focus on mathematical modelling of incompressible fluid flow interacting with vibrations of an elastic vocal fold. The flow in moving domain is modelled by the incompressible Navier-Stokes equations written in the Arbitrary Lagrangian-Eulerian (ALE) form. The channel geometry is an approximation of the human glottal region. The flow model is coupled with a simplified structure model. The problem is mathematically described and the resulting fluid-structure interaction problem is discretized by a stabilized finite element method. A strong coupling algorithm is applied for solution of the coupled fluid-structure problem. The choice of boundary conditions is discussed, particularly the choice of different artificial inlet/outlet boundary conditions is described in details. The numerical results are shown.

  18. Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation

    International Nuclear Information System (INIS)

    Bozkaya, Uğur; Sherrill, C. David

    2016-01-01

    An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the “gradient terms”: computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbital (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C 10 H 22 ), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.

  19. Validity of the independent-processes approximation for resonance structures in electron-ion scattering cross sections

    International Nuclear Information System (INIS)

    Badnell, N.R.; Pindzola, M.S.; Griffin, D.C.

    1991-01-01

    The total inelastic cross section for electron-ion scattering may be found in the independent-processes approximation by adding the resonant cross section to the nonresonant background cross section. We study the validity of this approximation for electron excitation of multiply charged ions. The resonant-excitation cross section is calculated independently using distorted waves for various Li-like and Na-like ions using (N+1)-electron atomic-structure methods previously developed for the calculation of dielectronic-recombination cross sections. To check the effects of interference between the two scattering processes, we also carry out detailed close-coupling calculations for the same atomic ions using the R-matrix method. For low ionization stages, interference effects manifest themselves sometimes as strong window features in the close-coupling cross section, which are not present in the independent-processes cross section. For higher ionization stages, however, the resonance features found in the independent-processes approximation are found to be in good agreement with the close-coupling results

  20. Muonic molecules as three-body Coulomb problem in adiabatic approximation

    International Nuclear Information System (INIS)

    Decker, M.

    1994-04-01

    The three-body Coulomb problem is treated within the framework of the hyperspherical adiabatic approach. The surface functions are expanded into Faddeev-type components in order to ensure the equivalent representation of all possible two-body contributions. It is shown that this decomposition reduces the numerical effort considerably. The remaining radial equations are solved both in the extreme and the uncoupled adiabatic approximation to determine the binding energies of the systems (dtμ) and (d 3 Heμ). Whereas the ground state is described very well in the uncoupled adiabatic approximation, the excited states should be treated within the coupled adiabatic approximation to obtain good agreement with variational calculations. (orig.)

  1. Oxidase catalysis via aerobically generated hypervalent iodine intermediates

    Science.gov (United States)

    Maity, Asim; Hyun, Sung-Min; Powers, David C.

    2018-02-01

    The development of sustainable oxidation chemistry demands strategies to harness O2 as a terminal oxidant. Oxidase catalysis, in which O2 serves as a chemical oxidant without necessitating incorporation of oxygen into reaction products, would allow diverse substrate functionalization chemistry to be coupled to O2 reduction. Direct O2 utilization suffers from intrinsic challenges imposed by the triplet ground state of O2 and the disparate electron inventories of four-electron O2 reduction and two-electron substrate oxidation. Here, we generate hypervalent iodine reagents—a broadly useful class of selective two-electron oxidants—from O2. This is achieved by intercepting reactive intermediates of aldehyde autoxidation to aerobically generate hypervalent iodine reagents for a broad array of substrate oxidation reactions. The use of aryl iodides as mediators of aerobic oxidation underpins an oxidase catalysis platform that couples substrate oxidation directly to O2 reduction. We anticipate that aerobically generated hypervalent iodine reagents will expand the scope of aerobic oxidation chemistry in chemical synthesis.

  2. Diophantine approximation and badly approximable sets

    DEFF Research Database (Denmark)

    Kristensen, S.; Thorn, R.; Velani, S.

    2006-01-01

    . The classical set Bad of `badly approximable' numbers in the theory of Diophantine approximation falls within our framework as do the sets Bad(i,j) of simultaneously badly approximable numbers. Under various natural conditions we prove that the badly approximable subsets of Omega have full Hausdorff dimension...

  3. CDW (continuum distorted wave) type approximation for electron capture at large angles

    International Nuclear Information System (INIS)

    Fojon, O.A.; Maidagan, J.M.

    1990-01-01

    A calculation is made for the probability of electron capture in shell K at great angles using a second order symmetrical model used related to the continuum distorted wave (CDW) approximation. The influence of Coulomb distortion of nuclei is studied and compared with OBK and CIS type calculations. Numerical results are compared with experimental results of the collision of H + on C at intermediate energies. (Author). 19 refs., 2 figs

  4. Real-time contrast ultrasound muscle perfusion imaging with intermediate-power imaging coupled with acoustically durable microbubbles.

    Science.gov (United States)

    Seol, Sang-Hoon; Davidson, Brian P; Belcik, J Todd; Mott, Brian H; Goodman, Reid M; Ammi, Azzdine; Lindner, Jonathan R

    2015-06-01

    There is growing interest in limb contrast-enhanced ultrasound (CEU) perfusion imaging for the evaluation of peripheral artery disease. Because of low resting microvascular blood flow in skeletal muscle, signal enhancement during limb CEU is prohibitively low for real-time imaging. The aim of this study was to test the hypothesis that this obstacle can be overcome by intermediate- rather than low-power CEU when performed with an acoustically resilient microbubble agent. Viscoelastic properties of Definity and Sonazoid were assessed by measuring bulk modulus during incremental increases in ambient pressure to 200 mm Hg. Comparison of in vivo microbubble destruction and signal enhancement at a mechanical index (MI) of 0.1 to 0.4 was performed by sequential reduction in pulsing interval from 10 to 0.05 sec during limb CEU at 7 MHz in mice and 1.8 MHz in dogs. Destruction was also assessed by broadband signal generation during passive cavitation detection. Real-time CEU perfusion imaging with destruction-replenishment was then performed at 1.8 MHz in dogs using an MI of 0.1, 0.2, or 0.3. Sonazoid had a higher bulk modulus than Definity (66 ± 12 vs 29 ± 2 kPa, P = .02) and exhibited less inertial cavitation (destruction) at MIs ≥ 0.2. On in vivo CEU, maximal signal intensity increased incrementally with MI for both agents and was equivalent between agents except at an MI of 0.1 (60% and 85% lower for Sonazoid at 7 and 1.8 MHz, respectively, P power imaging coupled with a durable microbubble contrast agent. Copyright © 2015 American Society of Echocardiography. All rights reserved.

  5. Intermediate neutron spectrum problems and the intermediate neutron spectrum experiment

    International Nuclear Information System (INIS)

    Jaegers, P.J.; Sanchez, R.G.

    1996-01-01

    Criticality benchmark data for intermediate energy spectrum systems does not exist. These systems are dominated by scattering and fission events induced by neutrons with energies between 1 eV and 1 MeV. Nuclear data uncertainties have been reported for such systems which can not be resolved without benchmark critical experiments. Intermediate energy spectrum systems have been proposed for the geological disposition of surplus fissile materials. Without the proper benchmarking of the nuclear data in the intermediate energy spectrum, adequate criticality safety margins can not be guaranteed. The Zeus critical experiment now under construction will provide this necessary benchmark data

  6. Two correlated quasiparticles states in the principal series approximation

    International Nuclear Information System (INIS)

    Dukelsky, J.; Dussel, G.G.; Sofia, H.M.

    1983-01-01

    The principal series approximation is extended to the description of two correlated quasiparticles states, enabling a treatment of these states that takes into account the coupling among the two particle Green's function and the particle-hole one. This description is related to a random phase approximation treatment of collective states in open shell nuclei that includes simultaneously the particle-particle and particle-hole versions of the nuclear residual Hamiltonian. Using separable interactions it is found that the inclusion of the particle-particle part of the Hamiltonians greatly changes the properties of the 2 + states in the Sn isotopes

  7. Intermediate layer thickness dependence on switching field distribution in perpendicular recording media

    International Nuclear Information System (INIS)

    Sbiaa, R.; Gandhi, R.; Srinivasan, K.; Piramanayagam, S.N.; Seoh, R.M.

    2009-01-01

    The effect of intermediate layer (IL) thickness on crystallographic texture and magnetic properties of CoCrPtSiO 2 granular perpendicular recording media was investigated with switching field distribution (SFD) as the focus. Even though the c-axis orientation of the Co-based recording layer (RL) broadens with the reduction of IL thickness, the SFD becomes narrower. This result demonstrates that the intrinsic SFD is not directly dependent on c-axis orientation of the recording layer but instead dependent on the magnitude of exchange coupling. It is thus possible to have a medium with thin IL and narrow SFD. This is desirable for bit-patterned media (BPM), where highly exchange-coupled grains are required.

  8. SAM revisited: absorptive uniform semiclassical approximation and application to heavy-ion elastic scattering

    International Nuclear Information System (INIS)

    Pato, M.P.; Hussein, M.S.

    1989-06-01

    The Uniform Semiclassical Approximation is modified to take into account absorption. Symbol calculus and pseudodifferential operators techniques are employed for the purpose. The resulting theory, very similar to the one developed by Frahn and Gross permits the decomposition of the near-side and far-side amplitudes into diffractive and refractive components. Application to several heavy-ion systems at intermediate energies is made. (author) [pt

  9. Implications of results from the CERN e+e- collider LEP for SO(10) grand unification with two intermediate stages

    International Nuclear Information System (INIS)

    Deshpande, N.G.; Keith, E.; Pal, P.B.

    1993-01-01

    We consider the breaking of the grand unification group SO(10) to the standard model gauge group through several chains containing two intermediate stages. Using the values of the gauge coupling constants at a scale M Z derived from recent data from the CERN e + e- collider LEP, we determine the range of their intermediate and unification scales. In particular, we identify those chains that permit new gauge structure at relatively low energy (∼1 TeV)

  10. The quest for an intermediate-scale accidental axion and further ALPs

    International Nuclear Information System (INIS)

    Dias, A.G.; Nishi, C.C.; Machado, A.C.B.; Vaudrevange, P.

    2014-03-01

    The recent detection of the cosmic microwave background polarimeter experiment BICEP2 of tensor fluctuations in the B-mode power spectrum basically excludes all plausible axion models where its decay constant is above 10 13 GeV. Moreover, there are strong theoretical, astrophysical, and cosmological motivations for models involving, in addition to the axion, also axion-like particles (ALPs), with decay constants in the intermediate scale range, between 10 9 GeV and 10 13 GeV. Here, we present a general analysis of models with an axion and further ALPs and derive bounds on the relative size of the axion and ALP photon (and electron) coupling. We discuss what we can learn from measurements of the axion and ALP photon couplings about the fundamental parameters of the underlying ultraviolet completion of the theory. For the latter we consider extensions of the Standard Model in which the axion and the ALP(s) appear as pseudo Nambu-Goldstone bosons from the breaking of global chiral U(1) (Peccei-Quinn (PQ)) symmetries, occuring accidentally as low energy remnants from exact discrete symmetries. In such models, the axion and the further ALP are protected from disastrous explicit symmetry breaking effects due to Planck-scale suppressed operators. The scenarios considered exploit heavy right handed neutrinos getting their mass via PQ symmetry breaking and thus explain the small mass of the active neutrinos via a seesaw relation between the electroweak and an intermediate PQ symmetry breaking scale. We show some models that can accommodate simultaneously an axion dark matter candidate, an ALP explaining the anomalous transparency of the universe for γ-rays, and an ALP explaining the recently reported 3.55 keV gamma line from galaxies and clusters of galaxies, if the respective decay constants are of intermediate scale.

  11. The quest for an intermediate-scale accidental axion and further ALPs

    Energy Technology Data Exchange (ETDEWEB)

    Dias, A.G.; Nishi, C.C. [Univ. Federal do ABC - UFABC, Sao Paulo (Brazil); Machado, A.C.B. [Teorica-Univ. Estadual Paulista, Sao Paulo (Brazil). Instituto de Fisica; Ringwald, A. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Vaudrevange, P. [Technische Univ. Muenchen, Garching (Germany). Excellence Cluster Universe

    2014-03-15

    The recent detection of the cosmic microwave background polarimeter experiment BICEP2 of tensor fluctuations in the B-mode power spectrum basically excludes all plausible axion models where its decay constant is above 10{sup 13} GeV. Moreover, there are strong theoretical, astrophysical, and cosmological motivations for models involving, in addition to the axion, also axion-like particles (ALPs), with decay constants in the intermediate scale range, between 10{sup 9} GeV and 10{sup 13} GeV. Here, we present a general analysis of models with an axion and further ALPs and derive bounds on the relative size of the axion and ALP photon (and electron) coupling. We discuss what we can learn from measurements of the axion and ALP photon couplings about the fundamental parameters of the underlying ultraviolet completion of the theory. For the latter we consider extensions of the Standard Model in which the axion and the ALP(s) appear as pseudo Nambu-Goldstone bosons from the breaking of global chiral U(1) (Peccei-Quinn (PQ)) symmetries, occuring accidentally as low energy remnants from exact discrete symmetries. In such models, the axion and the further ALP are protected from disastrous explicit symmetry breaking effects due to Planck-scale suppressed operators. The scenarios considered exploit heavy right handed neutrinos getting their mass via PQ symmetry breaking and thus explain the small mass of the active neutrinos via a seesaw relation between the electroweak and an intermediate PQ symmetry breaking scale. We show some models that can accommodate simultaneously an axion dark matter candidate, an ALP explaining the anomalous transparency of the universe for γ-rays, and an ALP explaining the recently reported 3.55 keV gamma line from galaxies and clusters of galaxies, if the respective decay constants are of intermediate scale.

  12. Approximate Integrals of rf-driven Particle Motion in Magnetic Field

    International Nuclear Information System (INIS)

    Dodin, I.Y.; Fisch, N.J.

    2004-01-01

    For a particle moving in nonuniform magnetic field under the action of an rf wave, ponderomotive effects result from rf-driven oscillations nonlinearly coupled with Larmor rotation. Using Lagrangian and Hamiltonian formalism, we show how, despite this coupling, two independent integrals of the particle motion are approximately conserved. Those are the magnetic moment of free Larmor rotation and the quasi-energy of the guiding center motion parallel to the magnetic field. Under the assumption of non-resonant interaction of the particle with the rf field, these integrals represent adiabatic invariants of the particle motion

  13. Departures from the impulse approximation in deep inelastic neutron scattering

    International Nuclear Information System (INIS)

    Mayers, J.

    1989-01-01

    A new formulation of the impulse approximation (IA) in deep inelastic neutron scattering is developed. It is shown that observed departures from the IA at intermediate momentum transfers are caused by the quantum nature of the initial state rather than final state effects, as has previously been assumed and that these effects become small at high temperatures. It is also argued that final state broadening is significant for He liquids in all feasible experiments, but that in other systems the IA is approached at high momentum transfers. (author)

  14. Multiplet effects in the electronic structure of intermediate-valence compounds

    DEFF Research Database (Denmark)

    Thunström, P.; Di Marco, I.; Grechnev, A.

    2009-01-01

    We present an implementation of the Hubbard-I approximation based on the exact solution of the atomic many-body problem incorporated in a full-potential linear muffin-tin orbital method of density-functional theory. Comparison between calculated and measured x-ray photoemission spectra reveal a g...... a good agreement for intermediate valence systems in open crystal structures such as YbInCu4, SmB6, and YbB12. Spectral features of the unoccupied states of SmB6 are predicted....

  15. The quasilocalized charge approximation

    International Nuclear Information System (INIS)

    Kalman, G J; Golden, K I; Donko, Z; Hartmann, P

    2005-01-01

    The quasilocalized charge approximation (QLCA) has been used for some time as a formalism for the calculation of the dielectric response and for determining the collective mode dispersion in strongly coupled Coulomb and Yukawa liquids. The approach is based on a microscopic model in which the charges are quasilocalized on a short-time scale in local potential fluctuations. We review the conceptual basis and theoretical structure of the QLC approach and together with recent results from molecular dynamics simulations that corroborate and quantify the theoretical concepts. We also summarize the major applications of the QLCA to various physical systems, combined with the corresponding results of the molecular dynamics simulations and point out the general agreement and instances of disagreement between the two

  16. Breakdown of the few-level approximation in collective systems

    International Nuclear Information System (INIS)

    Kiffner, M.; Evers, J.; Keitel, C. H.

    2007-01-01

    The validity of the few-level approximation in dipole-dipole interacting collective systems is discussed. As an example system, we study the archetype case of two dipole-dipole interacting atoms, each modeled by two complete sets of angular momentum multiplets. We establish the breakdown of the few-level approximation by first proving the intuitive result that the dipole-dipole induced energy shifts between collective two-atom states depend on the length of the vector connecting the atoms, but not on its orientation, if complete and degenerate multiplets are considered. A careful analysis of our findings reveals that the simplification of the atomic level scheme by artificially omitting Zeeman sublevels in a few-level approximation generally leads to incorrect predictions. We find that this breakdown can be traced back to the dipole-dipole coupling of transitions with orthogonal dipole moments. Our interpretation enables us to identify special geometries in which partial few-level approximations to two- or three-level systems are valid

  17. Flow chemistry as a discovery tool to access sp2-sp3 cross-coupling reactions via diazo compounds.

    Science.gov (United States)

    Tran, Duc N; Battilocchio, Claudio; Lou, Shing-Bong; Hawkins, Joel M; Ley, Steven V

    2015-02-01

    The work takes advantage of an important feature of flow chemistry, whereby the generation of a transient species (or reactive intermediate) can be followed by a transfer step into another chemical environment, before the intermediate is reacted with a coupling partner. This concept is successfully applied to achieve a room temperature sp 2 -sp 3 cross coupling of boronic acids with diazo compounds, these latter species being generated from hydrazones under flow conditions using MnO 2 as the oxidant.

  18. Effects of the network structure and coupling strength on the noise-induced response delay of a neuronal network

    International Nuclear Information System (INIS)

    Ozer, Mahmut; Uzuntarla, Muhammet

    2008-01-01

    The Hodgkin-Huxley (H-H) neuron model driven by stimuli just above threshold shows a noise-induced response delay with respect to time to the first spike for a certain range of noise strengths, an effect called 'noise delayed decay' (NDD). We study the response time of a network of coupled H-H neurons, and investigate how the NDD can be affected by the connection topology of the network and the coupling strength. We show that the NDD effect exists for weak and intermediate coupling strengths, whereas it disappears for strong coupling strength regardless of the connection topology. We also show that although the network structure has very little effect on the NDD for a weak coupling strength, the network structure plays a key role for an intermediate coupling strength by decreasing the NDD effect with the increasing number of random shortcuts, and thus provides an additional operating regime, that is absent in the regular network, in which the neurons may also exploit a spike time code

  19. Observing pure effects of counter-rotating terms without ultrastrong coupling: A single photon can simultaneously excite two qubits

    Science.gov (United States)

    Wang, Xin; Miranowicz, Adam; Li, Hong-Rong; Nori, Franco

    2017-12-01

    The coherent process that a single photon simultaneously excites two qubits has recently been theoretically predicted by Garziano et al. [L. Garziano, V. Macrì, R. Stassi, O. Di Stefano, F. Nori, and S. Savasta, One Photon Can Simultaneously Excite two or More Atoms, Phys. Rev. Lett. 117, 043601 (2016), 10.1103/PhysRevLett.117.043601]. We propose a different approach to observe a similar dynamical process based on a superconducting quantum circuit, where two coupled flux qubits longitudinally interact with the same resonator. We show that this simultaneous excitation of two qubits (assuming that the sum of their transition frequencies is close to the cavity frequency) is related to the counter-rotating terms in the dipole-dipole coupling between two qubits, and the standard rotating-wave approximation is not valid here. By numerically simulating the adiabatic Landau-Zener transition and Rabi-oscillation effects, we clearly verify that the energy of a single photon can excite two qubits via higher-order transitions induced by the longitudinal couplings and the counter-rotating terms. Compared with previous studies, the coherent dynamics in our system only involves one intermediate state and, thus, exhibits a much faster rate. We also find transition paths which can interfere. Finally, by discussing how to control the two longitudinal-coupling strengths, we find a method to observe both constructive and destructive interference phenomena in our system.

  20. Microwave-assisted synthesis of α-aryl malonates: Key intermediates for the

    Directory of Open Access Journals (Sweden)

    Mohamed A. Ibrahim

    2016-11-01

    Full Text Available We disclose a new microwave-assisted protocol for the effective α-arylation of diethyl malonate. The coupling of aryl halides with diethyl malonate proceeds smoothly in short reaction time in the presence of a catalytic amount of Cu(OTf2, 2-picolinic acid and Cs2CO3 in toluene using microwave irradiation. The resulting α-aryl malonates are then used as key intermediates for synthesis of variety of heterocyclic compounds, including benzodiazepines, isoquinolines and pyrrolopyridine scaffolds.

  1. Disentangling running coupling and conformal effects in QCD

    CERN Document Server

    Brodsky, S J; Grunberg, G; Rathsman, J

    2001-01-01

    We investigate the relation between a postulated skeleton expansion and the conformal limit of QCD. We begin by developing some consequences of an Abelian-like skeleton expansion, which allows one to disentangle running-coupling effects from the remaining skeleton coefficients. The latter are by construction renormalon free, and hence hopefully better behaved. We consider a simple ansatz for the expansion, where an observable is written as a sum of integrals over the running coupling. We show that in this framework one can set a unique Brodsky-Lepage-Mackenzie (BLM) scale-setting procedure as an approximation to the running-coupling integrals, where the BLM coefficients coincide with the skeleton ones. Alternatively, the running-coupling integrals can be approximated using the effective charge method. We discuss the limitations in disentangling running coupling effects in the absence of a diagrammatic construction of the skeleton expansion. Independently of the assumed skeleton structure we show that BLM coef...

  2. Approximate eigenvalue determination of geometrically frustrated magnetic molecules

    Directory of Open Access Journals (Sweden)

    A.M. Läuchli

    2009-01-01

    Full Text Available Geometrically frustrated magnetic molecules have attracted a lot of interest in the field of molecular magnetism as well as frustrated Heisenberg antiferromagnets. In this article we demonstrate how an approximate diagonalization scheme can be used in order to obtain thermodynamic and spectroscopic information about frustrated magnetic molecules. To this end we theoretically investigate an antiferromagnetically coupled spin system with cuboctahedral structure modeled by an isotropic Heisenberg Hamiltonian.

  3. Angular dependences of the tensor analyzing powers in the dd→3Hen reaction at intermediate energies

    International Nuclear Information System (INIS)

    Ladygin, V.P.; Ladygina, N.B.

    2002-01-01

    The tensor analyzing powers A yy , A xx , and A xz in the dd→ 3 Hen reaction at intermediate energies are considered in the framework of the one-nucleon-exchange approximation. Their strong sensitivity to the 3 He and deuteron spin structure at short distances is shown

  4. Timed intercourse for couples trying to conceive

    NARCIS (Netherlands)

    Manders, M.; McLindon, L.; Schulze, B.; Beckmann, M.M.; Kremer, J.A.M.; Farquhar, C.

    2015-01-01

    BACKGROUND: Fertility problems are very common, as subfertility affects about 10% to 15% of couples trying to conceive. There are many factors that may impact a couple's ability to conceive and one of these may be incorrect timing of intercourse. Conception is only possible from approximately five

  5. Intermediate inflation in light of the three-year WMAP observations

    International Nuclear Information System (INIS)

    Barrow, John D.; Liddle, Andrew R.; Pahud, Cedric

    2006-01-01

    The three-year observations from the Wilkinson Microwave Anisotropy Probe have been hailed as giving the first clear indication of a spectral index n s s =1 and allowing the tensor-to-scalar ratio r to be nonzero. The combination n s =1 and r>0 is given (within the slow-roll approximation) by a version of the intermediate inflation model with expansion rate H(t)∝t -1/3 . We assess the status of this model in light of the WMAP3 data

  6. Strong coupling in a gauge invariant field theory

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, K. [Physics Department, Massachusetts Institute of Technology, Cambridge, MA (United States)

    1963-01-15

    I would like to discuss some approximations which may be significant in the domain of strong coupling in a field system analogous to quantum electrodynamics. The motivation of this work is the idea that the strong couplings and elementary particle spectrum may be the consequence of the dynamics of a system whose underlying description is in terms of a set of Fermi fields gauge invariantly coupled to a single (''bare'') massless neutral vector field. The basis of this gauge invariance would of course be the exact conservation law of baryons or ''nucleonic charge''. It seems to me that a coupling scheme based on an invariance principle is most attractive if that invariance is an exact one. It would then be nice to try to account for the approximate invariance principles in the same way one would describe ''accidental degeneracies'' in any quantum system.

  7. Collision strengths from ground levels of Ti XIII using relativistic-Breit-Pauli approximation

    International Nuclear Information System (INIS)

    Mohan, M.; Hibbert, H.; Burke, P.G.; Keenan, F.

    1998-09-01

    The R-matrix method is used to calculate collision strengths from ground state to the first twenty-six fine structure levels of neon-like titanium by including the relativistic term coupling coefficients in the semi-Breit-Pauli approximation. Configuration interaction wave-functions are used to represent the first fifteen lowest LS-coupled target states in the R-matrix expansion. Results obtained are compared with other calculations. This is the first detailed calculation on this ion in which relativistic, exchange, channel couplings and short-range correlation effects are taken into account. (author)

  8. Approximate Q.C.D. lower bound for the bag constant B

    International Nuclear Information System (INIS)

    Nielsen, H.B.

    1978-01-01

    Using an article by Savvidy from 1977 in which a state in Q.C.D. with lower energy than the perturbative vacuum was found, the author calculates an approximate lower bound for the M.I.T. bag constant B relative to the Q.C.D. coupling parameter Λ. With an M.I.T. bag constant Bsup(1/4)=145 MeV the author finds Λsub(P)<=0.89 GeV when the propagator of the gluon is used to renormalize the coupling constant. (Auth.)

  9. 2> for a scalar field in 2D black holes: A new uniform approximation

    International Nuclear Information System (INIS)

    Frolov, V.; Sushkov, S.V.; Zelnikov, A.

    2003-01-01

    We study nonconformal quantum scalar fields and averages of their local observables (such as 2 > ren and μν > ren ) in the spacetime of a two-dimensional black hole. In order to get an analytical approximation for these expressions the WKB approximation is often used. We demonstrate that at the horizon the WKB approximation is violated for a nonconformal field, that is, when the field mass or/and the parameter of nonminimal coupling does not vanish. We propose a new 'uniform approximation' which solves this problem. We use this approximation to obtain an improved analytical approximation for 2 > ren in the two-dimensional black hole geometry. We compare the results obtained with numerical calculations

  10. Specialized reactions: reactions at intermediate energies: Baryon--nucleus collisions, 150 MeV--1 GeV

    International Nuclear Information System (INIS)

    Igo, G.

    1974-01-01

    The high energy collision approximation proposed by Glauber to describe experimental data at the upper end of the intermediate range is reviewed. Some aspects of the model which limit its validity are outlined. Elastic scattering of protons from light nuclei is discussed in the framework of the Glauber model. For data in the energy region near 200 MeV, the plane wave impulse approximation (PWIA) and the distorted wave impulse approximation (DWIA) are applied. Quasielastic scattering is treated by considering (p,p') and (p,2p) reactions with light nuclei. A short discussion of the high resolution spectrometer facility at LAMPF and the SPES 1 facility at Saturne is given. (46 figures, 3 tables, 102 references) (U.S.)

  11. Improved fluid-structure coupling

    International Nuclear Information System (INIS)

    McMaster, W.H.; Gong, E.Y.; Landram, C.S.

    1981-01-01

    In the computer code PELE-IC, an incompressible Eulerian hydrodynamic algorithm was coupled to a Lagrangian finite element shell algorithm for the analysis of pressure suppression in boiling water reactors. This effort also required the development of a free surface algorithm capable of handling expanding gas bubbles. These algorithms have been improved to strengthen the coupling and to add the capability for following the more complex free surfaces resulting from steam condensation. These improvements have also permitted more economical 2D calculations and have made it feasible to develop a 3D version. A compressible option using the acoustic approximation has also been added, furthering the usefulness of the code. The coupling improvements were made in three areas which are identified as (1) preferential coupling, (2) merged cell coupling, and (3) free surface-structure coupling, and are described. These algorithms have been additionally implemented in a three dimensional version of the code called PELE3D. This version has a free surface capability to follow expanding and contracting bubbles and is coupled to a curved rigid surface

  12. A S-matrix-like approximation in the charged particle scattering by the hydrogen atom

    International Nuclear Information System (INIS)

    Mignaco, J.A.; Tort, A.C.

    1979-01-01

    The Born approximation for charged particle scattering by the hydrogen atom is unfit at low energies. From a S-matrix-like consideration on the dominance of the neighbour singularities, the calculation of other contributions is suggested. The inclusion of bound states is made, following Eden's and his colaborators' ideas, which are described by their interest and likeness with procedures in the intermediate energy physics. (Author) [pt

  13. DEVELOPMENT OF COMPUTER AIDED DESIGN OF CHAIN COUPLING

    Directory of Open Access Journals (Sweden)

    Sergey Aleksandrovich Sergeev

    2015-12-01

    Full Text Available The present paper describes the development stages of computer-aided design of chain couplings. The first stage is the automation of traditional design techniques (intermediate automation. The second integrated automation with the development of automated equipment and production technology, including on the basis of flexible manufacturing systems (high level of automation.

  14. Intermediality and media change

    OpenAIRE

    2012-01-01

    This book is about intermediality as an approach to analysing and understanding media change. Intermediality and Media Change is critical of technological determinism that characterises 'new media discourse' about the ongoing digitalization, framed as a revolution and creating sharp contrasts between old and new media. Intermediality instead emphasises paying attention to continuities between media of all types and privileges a comparative perspective on technological changes in media over ti...

  15. Multiplicity correlations of intermediate-mass fragments with pions and fast protons in 12C + 197AU

    International Nuclear Information System (INIS)

    Turzo, K.; Begemann-Blaich, M.L.; Auger, G.

    2003-12-01

    Low-energy π + (E π 12 C+ 197 Au collisions at incident energies from 300 to 1800 MeV per nucleon were detected with the Si-Si(Li)-CsI(Tl) calibration telescopes of the INDRA multidetector. The inclusive angular distributions are approximately isotropic, consistent with multiple rescattering in the target spectator. The multiplicity correlations of the low-energy pions and of energetic protons (E p >or ≤ 150 MeV) with intermediate-mass fragments were determined from the measured coincidence data. The deduced correlation functions 1 + R ∼ 1.3 for inclusive event samples reflect the strong correlations evident from the common impact-parameter dependence of the considered multiplicities. For narrow impact-parameter bins (based on charged-particle multiplicity), the correlation functions are close to unity and do not indicate strong additional correlations. Only for pions at high particle multiplicities (central collisions) a weak anticorrelation is observed, probably due to a limited competition between these emissions. Overall, the results are consistent with the equilibrium assumption made in statistical multifragmentation scenarios. Predictions obtained with intranuclear cascade models coupled to the statistical multifragmentation model are in good agreement with the experimental data. (orig.)

  16. Deep-inelastic structure functions in an approximation to the bag theory

    International Nuclear Information System (INIS)

    Jaffe, R.L.

    1975-01-01

    A cavity approximation to the bag theory developed earlier is extended to the treatment of forward virtual Compton scattering. In the Bjorken limit and for small values of ω (ω = vertical-bar2p center-dot q/q 2 vertical-bar) it is argued that the operator nature of the bag boundaries might be ignored. Structure functions are calculated in one and three dimensions. Bjorken scaling is obtained. The model provides a realization of light-cone current algebra and possesses a parton interpretation. The structure functions show a quasielastic peak. The spreading of the structure functions about the peak is associated with confinement. As expected, Regge behavior is not obtained for large ω. The ''momentum sum rule'' is saturated, indicating that the hadron's charged constituents carry all the momentum in this model. νW/subL/ is found to scale and is calculable. Application of the model to the calculation of spin-dependent and chiral-symmetry--violating structure functions is proposed. The nature of the intermediate states in this approximation is discussed. Problems associated with the cavity approximation are also discussed

  17. Coherence Phenomena in Coupled Optical Resonators

    Science.gov (United States)

    Smith, D. D.; Chang, H.

    2004-01-01

    We predict a variety of photonic coherence phenomena in passive and active coupled ring resonators. Specifically, the effective dispersive and absorptive steady-state response of coupled resonators is derived, and used to determine the conditions for coupled-resonator-induced transparency and absorption, lasing without gain, and cooperative cavity emission. These effects rely on coherent photon trapping, in direct analogy with coherent population trapping phenomena in atomic systems. We also demonstrate that the coupled-mode equations are formally identical to the two-level atom Schrodinger equation in the rotating-wave approximation, and use this result for the analysis of coupled-resonator photon dynamics. Notably, because these effects are predicted directly from coupled-mode theory, they are not unique to atoms, but rather are fundamental to systems of coherently coupled resonators.

  18. Speeding up equation of motion coupled cluster theory with the chain of spheres approximation

    International Nuclear Information System (INIS)

    Dutta, Achintya Kumar; Neese, Frank; Izsák, Róbert

    2016-01-01

    In the present paper, the chain of spheres exchange (COSX) approximation is applied to the highest scaling terms in the equation of motion (EOM) coupled cluster equations with single and double excitations, in particular, the terms involving integrals with four virtual labels. It is found that even the acceleration of this single term yields significant computational gains without compromising the desired accuracy of the method. For an excitation energy calculation on a cluster of five water molecules using 585 basis functions, the four virtual term is 9.4 times faster using COSX with a loose grid than using the canonical implementation, which yields a 2.6 fold acceleration for the whole of the EOM calculation. For electron attachment calculations, the four virtual term is 15 times and the total EOM calculation is 10 times faster than the canonical calculation for the same system. The accuracy of the new method was tested using Thiel’s test set for excited states using the same settings and the maximum absolute deviation over the whole test set was found to be 12.945 cm −1 (59 μHartree) for excitation energies and 6.799 cm −1 (31 μHartree) for electron attachments. Using MP2 amplitudes for the ground state in combination with the parallel evaluation of the full EOM equations in the manner discussed in this paper enabled us to perform calculations for large systems. Electron affinity values for the two lowest states of a Zn protoporphyrine model compound (224 correlated electrons and 1120 basis functions) were obtained in 3 days 19 h using 4 cores of a Xeon E5-2670 processor allocating 10 GB memory per core. Calculating the lowest two excitation energies for trans-retinal (114 correlated electrons and 539 basis functions) took 1 day 21 h using eight cores of the same processor and identical memory allocation per core

  19. Speeding up equation of motion coupled cluster theory with the chain of spheres approximation

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, Achintya Kumar; Neese, Frank, E-mail: frank.neese@cec.mpg.de; Izsák, Róbert, E-mail: robert.izsak@cec.mpg.de [Max-Planck-Institut für Chemische Energiekonversion, Stiftstr. 34-36, 45470 Mülheim an der Ruhr (Germany)

    2016-01-21

    In the present paper, the chain of spheres exchange (COSX) approximation is applied to the highest scaling terms in the equation of motion (EOM) coupled cluster equations with single and double excitations, in particular, the terms involving integrals with four virtual labels. It is found that even the acceleration of this single term yields significant computational gains without compromising the desired accuracy of the method. For an excitation energy calculation on a cluster of five water molecules using 585 basis functions, the four virtual term is 9.4 times faster using COSX with a loose grid than using the canonical implementation, which yields a 2.6 fold acceleration for the whole of the EOM calculation. For electron attachment calculations, the four virtual term is 15 times and the total EOM calculation is 10 times faster than the canonical calculation for the same system. The accuracy of the new method was tested using Thiel’s test set for excited states using the same settings and the maximum absolute deviation over the whole test set was found to be 12.945 cm{sup −1} (59 μHartree) for excitation energies and 6.799 cm{sup −1} (31 μHartree) for electron attachments. Using MP2 amplitudes for the ground state in combination with the parallel evaluation of the full EOM equations in the manner discussed in this paper enabled us to perform calculations for large systems. Electron affinity values for the two lowest states of a Zn protoporphyrine model compound (224 correlated electrons and 1120 basis functions) were obtained in 3 days 19 h using 4 cores of a Xeon E5-2670 processor allocating 10 GB memory per core. Calculating the lowest two excitation energies for trans-retinal (114 correlated electrons and 539 basis functions) took 1 day 21 h using eight cores of the same processor and identical memory allocation per core.

  20. Coupled-channel analysis for heavy-ion scattering

    International Nuclear Information System (INIS)

    Kim, Byung-Taik.

    1978-01-01

    A method is given to carry out much faster coupled-channel (CC) calculations including the Coulomb excitation. For this purpose, two approximation techniques were used, namely, the WKB approximation of Alder and Pauli, in handling the effects of Coulomb excitation, and the Pade approximation for handling the large partial wave contribution. The formulation of CC calculations based on these two approximations is briefly discussed and some results of numerical calculations are shown for 16 O scattering with 152 Sm at 72 MeV

  1. Intermediate Fragment

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2015-01-01

    This text and its connected exhibition are aiming to reflect both on the thoughts, the processes and the outcome of the design and production of the artefact ‘Intermediate Fragment’ and making as a contemporary architectural tool in general. Intermediate Fragment was made for the exhibition ‘Enga...... of realising an exhibition object was conceived, but expanded, refined and concretised through this process. The context of the work shown here is an interest in a tighter, deeper connection between experimentally obtained material knowledge and architectural design....

  2. Combination of Wavefunction and Density Functional Approximations for Describing Electronic Correlation

    Science.gov (United States)

    Garza, Alejandro J.

    Perhaps the most important approximations to the electronic structure problem in quantum chemistry are those based on coupled cluster and density functional theories. Coupled cluster theory has been called the ``gold standard'' of quantum chemistry due to the high accuracy that it achieves for weakly correlated systems. Kohn-Sham density functionals based on semilocal approximations are, without a doubt, the most widely used methods in chemistry and material science because of their high accuracy/cost ratio. The root of the success of coupled cluster and density functionals is their ability to efficiently describe the dynamic part of the electron correlation. However, both traditional coupled cluster and density functional approximations may fail catastrophically when substantial static correlation is present. This severely limits the applicability of these methods to a plethora of important chemical and physical problems such as, e.g., the description of bond breaking, transition states, transition metal-, lanthanide- and actinide-containing compounds, and superconductivity. In an attempt to tackle this problem, nonstandard (single-reference) coupled cluster-based techniques that aim to describe static correlation have been recently developed: pair coupled cluster doubles (pCCD) and singlet-paired coupled cluster doubles (CCD0). The ability to describe static correlation in pCCD and CCD0 comes, however, at the expense of important amounts of dynamic correlation so that the high accuracy of standard coupled cluster becomes unattainable. Thus, the reliable and efficient description of static and dynamic correlation in a simultaneous manner remains an open problem for quantum chemistry and many-body theory in general. In this thesis, different ways to combine pCCD and CCD0 with density functionals in order to describe static and dynamic correlation simultaneously (and efficiently) are explored. The combination of wavefunction and density functional methods has a long

  3. Governance-Default Risk Relationship and the Demand for Intermediated and Non-Intermediated Debt

    Directory of Open Access Journals (Sweden)

    Husam Aldamen

    2012-09-01

    Full Text Available This paper explores the impact of corporate governance on the demand for intermediated debt (asset finance, bank debt, non-bank private debt and non-intermediated debt (public debt in the Australian debt market. Relative to other countries the Australian debt market is characterised by higher proportions of intermediated or private debt with a lower inherent level of information asymmetry in that private lenders have greater access to financial information (Gray, Koh & Tong 2009. Our firm level, cross-sectional evidence suggests that higher corporate governance impacts demand for debt via the mitigation of default risk. However, this relationship is not uniform across all debt types. Intermediated debt such as bank and asset finance debt are more responsive to changes in governance-default risk relationship than non-bank and non-intermediated debt. The implication is that a firm’s demand for different debt types will reflect its governance-default risk profile.

  4. Modified method of perturbed stationary states. II. Semiclassical and low-velocity quantal approximations

    International Nuclear Information System (INIS)

    Green, T.A.

    1978-10-01

    For one-electron heteropolar systems, the wave-theoretic Lagrangian of Paper I 2 is simplified in two distinct approximations. The first is semiclassical; the second is quantal, for velocities below those for which the semiclassical treatment is reliable. For each approximation, unitarity and detailed balancing are discussed. Then, the variational method as described by Demkov is used to determine the coupled equations for the radial functions and the Euler-Lagrange equations for the translational factors which are part of the theory. Specific semiclassical formulae for the translational factors are given in a many-state approximation. Low-velocity quantal formulae are obtained in a one-state approximation. The one-state results of both approximations agree with an earlier determination by Riley. 14 references

  5. Design precautions for coupling interfaces between nuclear heating reactor and heating grid or desalination plant

    International Nuclear Information System (INIS)

    Zheng Wenxiang

    1998-01-01

    Nuclear heating reactor (NHR) has been developed by INET since the early eighties. To achieve its economic viability and safety goal, the NHR is designed with a number of advanced and innovative features, including integrated arrangement, natural circulation, self-pressurized performance, dynamically hydraulic control rod drive and passive safety systems. As a new promising energy system, the NHR can serve for district heating, air conditioning, sea-water desalination and other industrial processes. For all of these applications, it is vital that the design and performance of the coupling interfaces shall insure protection of user ends against radioactive contamination. Therefore, an intermediate circuit is provided in the NHR as a physical barrier, and the operating pressure in the intermediate circuit is higher than that in the primary system. In addition, the radioactivity in the intermediate circuit is monitored continuously, and there are also other protection measures in the design for isolating the intermediate circuit and the heating grid or desalination plant under some emergency conditions. The excellent performance of the above design precautions for the coupling interfaces has been demonstrated by operational practice from the NHR-5, a 5 MW(thermal) experimental NHR, which was put into operation in 1989. This paper presents the main design features of the NHR as well as the special provisions taken in the design for coupling the NHR to the heating grid or desalination plant and some operating experience from the NHR-5. (author)

  6. Thermoelectrics in Coulomb-coupled quantum dots: Cotunneling and energy-dependent lead couplings

    DEFF Research Database (Denmark)

    Walldorf, Nicklas; Jauho, Antti-Pekka; Kaasbjerg, Kristen

    2017-01-01

    We study thermoelectric effects in Coulomb-coupled quantum-dot (CCQD) systems beyond lowest-order tunneling processes and the often applied wide-band approximation. To this end, we present a master-equation (ME) approach based on a perturbative T -matrix calculation of the charge and heat tunneli...

  7. Results of intermediate-scale hot isostatic press can experiments

    International Nuclear Information System (INIS)

    Nelson, L.O.; Vinjamuri, K.

    1995-05-01

    Radioactive high-level waste (HLW) has been managed at the Idaho Chemical Processing Plant (ICPP) for a number of years. Since 1963, liquid HLW has been solidified into a granular solid (calcine). Presently, over 3,800 m 3 of calcine is stored in partially-underground stainless steel bins. Four intermediate- scale HLW can tests (two 6-in OD x 12-in tall and two 4-in OD x 7-in tall) are described and compared to small-scale HIP can tests (1- to 3-in OD x 1- to 4.5-in tall). The intermediate-scale HIP cans were loaded with a 70/30 calcine/frit blend and HIPped at an off-site facility at 1050 degrees C; and 20 ksi. The dimensions of two cans (4-in OD x 7-in tall) were monitored during the HIP cycle with eddy-current sensors. The sensor measurements indicated that can deformation occurs rapidly at 700 degrees C; after which, there is little additional can shrinkage. HIP cans were subjected to a number of analyses including calculation of the overall packing efficiency (56 to 59%), measurement of glass-ceramic (3.0 to 3.2 g/cc), 14-day MCC-1 leach testing (total mass loss rates 2 day), and scanning electron microscopy (SEM). Based on these analyses, the glass-ceramic material produced in intermediate-scale cans is similar to material produced in small-scale cans. No major scale-up problems were indicated. Based on the packing efficiency observed in intermediate- and small-scale tests, the overall packing efficiency of production-scale (24-in OD x 36- to 190-in tall) cans would be approximately 64% for a pre-HIP right-circular cylinder geometry. An efficiency of 64% would represent a volume reduction factor of 2.5 over a candidate glass waste prepared at 33 wt% waste loading

  8. Precise measurement of coupling strength and high temperature quantum effect in a nonlinearly coupled qubit-oscillator system

    Science.gov (United States)

    Ge, Li; Zhao, Nan

    2018-04-01

    We study the coherence dynamics of a qubit coupled to a harmonic oscillator with both linear and quadratic interactions. As long as the linear coupling strength is much smaller than the oscillator frequency, the long time behavior of the coherence is dominated by the quadratic coupling strength g 2. The coherence decays and revives at a period , with the width of coherence peak decreasing as the temperature increases, hence providing a way to measure g 2 precisely without cooling. Unlike the case of linear coupling, here the coherence dynamics never reduces to the classical limit in which the oscillator is classical. Finally, the validity of linear coupling approximation is discussed and the coherence under Hahn-echo is evaluated.

  9. Coupling characteristics of rigid body motion and elastic deformation of a 3-PRR parallel manipulator with flexible links

    International Nuclear Information System (INIS)

    Zhang Xuping; Mills, James K.; Cleghorn, William L.

    2009-01-01

    Modeling of multibody dynamics with flexible links is a challenging task, which not only involves the effect of rigid body motion on elastic deformations, but also includes the influence of elastic deformations on rigid body motion. This paper presents coupling characteristics of rigid body motions and elastic motions of a 3-PRR parallel manipulator with three flexible intermediate links. The intermediate links are modeled as Euler-Bernoulli beams with pinned-pinned boundary conditions based on the assumed mode method (AMM). Using Lagrange multipliers, the fully coupled equations of motions of the flexible parallel manipulator are developed by incorporating the rigid body motions with elastic motions. The mutual dependence of elastic deformations and rigid body motions are investigated from the analysis of the derived equations of motion. Open-loop simulation without joint motion controls and closed-loop simulation with joint motion controls are performed to illustrate the effect of elastic motion on rigid body motions and the coupling effect amongst flexible links. These analyses and results provide valuable insight to the design and control of the parallel manipulator with flexible intermediate links

  10. Neutron flux calculations for criticality safety analysis using the narrow resonance approximations. Vol. 2

    Energy Technology Data Exchange (ETDEWEB)

    Hathout, A M [National Center for Nuclear Safety and Radiation Control, NC-NSRC, Atomic Energy Authority, Cairo (Egypt)

    1996-03-01

    The narrow resonance approximation is applicable for all low-energy resonances and the heaviest nuclides. It is of great importance in neutron calculations, hence, fertile isotopes do not undergo fission at resonance energies. The effect of overestimating the self shielded group averaged cross-section data for a given resonance nuclide can be fairly serious. In the present work, a detailed study, and derivation of the problem of self-shielding are carried-out through the information of Hansen-roach library which is used for criticality safety analysis. The intermediate neutron flux spectrum is analyzed, using the narrow resonance approximation. The resonance self-shielded values of various cross-sections are determined. 4 figs., 3 tabs.

  11. MHD intermediate shock discontinuities: Pt. 1

    International Nuclear Information System (INIS)

    Kennel, C.F.; Blandford, R.D.; Coppi, P.

    1989-01-01

    Recent numerical investigations have focused attention once more on the role of intermediate shocks in MHD. Four types of intermediate shock are identified using a graphical representation of the MHD Rankine-Hugoniot conditions. This same representation can be used to exhibit the close relationship of intermediate shocks to switch-on shocks and rotational discontinuities. The conditions under which intermediate discontinuities can be found are elucidated. The variations in velocity, pressure, entropy and magnetic-field jumps with upstream parameters in intermediate shocks are exhibited graphically. The evolutionary arguments traditionally advanced against intermediate shocks may fail because the equations of classical MHD are not strictly hyperbolic. (author)

  12. Three-body forces in nuclear matter from intermediate Δ-states in three-nucleon clusters

    International Nuclear Information System (INIS)

    Kouki, T.; Smulter, L.E.W.; Green, A.M.

    1976-10-01

    The three-body force contribution in nuclear matter is treated as a three-nucleon cluster, in which one of the nucleons becomes, in an intermediate state, a Δ(1236). All exchange diagrams are calculated and found to significantly reduce the energy per particle from the direct graph. This is contrary to earlier estimates of the exchanges, using more approximate approaches. The resulting attractive contribution is rather small, -1.1 MeV at ksub(F)=1.4 fm -1 , but the roughly linear density dependence has a crucial effect on the saturation properties. The sensitivity of the results to the correlations used, and to the two-body force spin structure, is displayed. The energy per particle from clusters with three intermediate Δ's is also estimated. (author)

  13. Angular dependences of the tensor analyzing powers in the dd → 3Hen reaction at intermediate energies

    International Nuclear Information System (INIS)

    Ladygin, V.P.; Ladygina, N.B.; )

    2002-01-01

    The tensor analyzing powers A yy , A xx , and A xz in the dd → 3 Hen reaction at intermediate energies are considered in the framework of the one-nucleon-exchange approximation. Their strong sensitivity to the 3 He and deuteron spin structure at short distances is shown [ru

  14. TRIF - an intermediate approach to environmental tritium modelling

    International Nuclear Information System (INIS)

    Higgins, N.A.

    1997-01-01

    The movement of tritium through the environment, from an initial atmospheric release to selected end points in the food chain, involves a series of closely coupled and complex processes which are, consequently, difficult to model. TRIF (tritium transfer into food) provides a semi-empirical approach to this transport problem, which can be adjusted to bridge the gap between simple steady state approximations and a fully coupled model of tritium dispersion and migration (Higgins et al., 1996). TRIF provides a time-dependent description of the behaviour of tritium in the form of tritium gas (HT) and tritiated water (HTO) as it enters and moves through the food chain into pasture, crops and animals. This includes a representation of the production and movement of organically bound tritium (OBT). (Author)

  15. Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes.

    Science.gov (United States)

    Phillips, Jordan J; Peralta, Juan E

    2014-08-07

    To benchmark the performance of a new method based on noncollinear coupled-perturbed density functional theory [J. Chem. Phys. 138, 174115 (2013)], we calculate the magnetic exchange couplings in a series of triply bridged ferromagnetic dinuclear Cu(II) complexes that have been recently synthesized [Phys. Chem. Chem. Phys. 15, 1966 (2013)]. We find that for any basis-set the couplings from our noncollinear coupled-perturbed methodology are practically identical to those of spin-projected energy-differences when a hybrid density functional approximation is employed. This demonstrates that our methodology properly recovers a Heisenberg description for these systems, and is robust in its predictive power of magnetic couplings. Furthermore, this indicates that the failure of density functional theory to capture the subtle variation of the exchange couplings in these complexes is not simply an artifact of broken-symmetry methods, but rather a fundamental weakness of current approximate density functionals for the description of magnetic couplings.

  16. Surface-Activated Coupling Reactions Confined on a Surface.

    Science.gov (United States)

    Dong, Lei; Liu, Pei Nian; Lin, Nian

    2015-10-20

    Chemical reactions may take place in a pure phase of gas or liquid or at the interface of two phases (gas-solid or liquid-solid). Recently, the emerging field of "surface-confined coupling reactions" has attracted intensive attention. In this process, reactants, intermediates, and products of a coupling reaction are adsorbed on a solid-vacuum or a solid-liquid interface. The solid surface restricts all reaction steps on the interface, in other words, the reaction takes place within a lower-dimensional, for example, two-dimensional, space. Surface atoms that are fixed in the surface and adatoms that move on the surface often activate the surface-confined coupling reactions. The synergy of surface morphology and activity allow some reactions that are inefficient or prohibited in the gas or liquid phase to proceed efficiently when the reactions are confined on a surface. Over the past decade, dozens of well-known "textbook" coupling reactions have been shown to proceed as surface-confined coupling reactions. In most cases, the surface-confined coupling reactions were discovered by trial and error, and the reaction pathways are largely unknown. It is thus highly desirable to unravel the mechanisms, mechanisms of surface activation in particular, of the surface-confined coupling reactions. Because the reactions take place on surfaces, advanced surface science techniques can be applied to study the surface-confined coupling reactions. Among them, scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) are the two most extensively used experimental tools. The former resolves submolecular structures of individual reactants, intermediates, and products in real space, while the latter monitors the chemical states during the reactions in real time. Combination of the two methods provides unprecedented spatial and temporal information on the reaction pathways. The experimental findings are complemented by theoretical modeling. In particular, density

  17. One-pot synthesis of amides by aerobic oxidative coupling of alcohols or aldehydes with amines using supported gold and base as catalysts

    DEFF Research Database (Denmark)

    Kegnæs, Søren; Mielby, Jerrik Jørgen; Mentzel, Uffe Vie

    2012-01-01

    Synthesis of amides by aerobic oxidative coupling of alcohols or aldehydes with amines via intermediate formation of methyl esters is highly efficient and selective when using a catalytic system comprised of supported gold nanoparticles and added base in methanol.......Synthesis of amides by aerobic oxidative coupling of alcohols or aldehydes with amines via intermediate formation of methyl esters is highly efficient and selective when using a catalytic system comprised of supported gold nanoparticles and added base in methanol....

  18. Relativistic quasiparticle time blocking approximation: Dipole response of open-shell nuclei

    International Nuclear Information System (INIS)

    Litvinova, E.; Ring, P.; Tselyaev, V.

    2008-01-01

    The self-consistent relativistic quasiparticle random-phase approximation (RQRPA) is extended by the quasiparticle-phonon coupling (QPC) model using the quasiparticle time blocking approximation (QTBA). The method is formulated in terms of the Bethe-Salpeter equation (BSE) in the two-quasiparticle space with an energy-dependent two-quasiparticle residual interaction. This equation is solved either in the basis of Dirac states forming the self-consistent solution of the ground state or in the momentum representation. Pairing correlations are treated within the Bardeen-Cooper-Schrieffer (BCS) model with a monopole-monopole interaction. The same NL3 set of the coupling constants generates the Dirac-Hartree-BCS single-quasiparticle spectrum, the static part of the residual two-quasiparticle interaction and the quasiparticle-phonon coupling amplitudes. A quantitative description of electric dipole excitations in the chain of tin isotopes (Z=50) with the mass numbers A=100,106,114,116,120, and 130 and in the chain of isotones with (N=50) 88 Sr, 90 Zr, 92 Mo is performed within this framework. The RQRPA extended by the coupling to collective vibrations generates spectra with a multitude of 2q x phonon (two quasiparticles plus phonon) states providing a noticeable fragmentation of the giant dipole resonance as well as of the soft dipole mode (pygmy resonance) in the nuclei under investigation. The results obtained for the photo absorption cross sections and for the integrated contributions of the low-lying strength to the calculated dipole spectra agree very well with the available experimental data

  19. Intermediate heat exchanger project for Super Phenix

    International Nuclear Information System (INIS)

    Roumailhac, J.; Desir, D.

    1975-01-01

    The Super Phenix (1200 MWe) intermediate heat exchangers are derived directly from those of Phenix (250 MWe). The intermediate exchangers are housed in the reactor vessel annulus: as this annulus must be of the smallest volume possible, these IHX are required to work at a high specific rating. The exchange surface is calculated for nominal conditions. A range is then defined, consistent with the above requirements and throughout which the ratio between bundle thickness and bundle length remains acceptable. Experimental technics and calculations were used to determine the number of tube constraint systems required to keep the vibration amplitude within permissible limits. From a knowledge of this number, the pressure drop produced by the primary flow can be calculated. The bundle geometry is determined together with the design of the corresponding tube plates and the way in which these plates should be joined to the body of the IHX. The experience (technical and financial) acquired in the construction of Phenix is then used to optimize the design of the Super Phenix project. An approximate definition of the structure of the IHX is obtained by assuming a simplified load distribution in the calculations. More sophisticated calculations (e.g. finite element method) are then used to determine the behaviour of the different points of the IHX, under nominal and transient conditions

  20. Finite-temperature random-phase approximation for spectroscopic properties of neon plasmas

    International Nuclear Information System (INIS)

    Colgan, J.; Collins, L. A.; Fontes, C. J.; Csanak, G.

    2007-01-01

    A finite-temperature random-phase approximation (FTRPA) is applied to calculate oscillator strengths for excitations in hot and dense plasmas. Application of the FTRPA provides a convenient, self-consistent method with which to explore coupled-channel effects of excited electrons in a dense plasma. We present FTRPA calculations that include coupled-channel effects. The inclusion of these effects is shown to cause significant differences in the oscillator strength for a prototypical case of 1 P excitation in neon when compared with single-channel and with average-atom calculations. Trends as a function of temperature and density are also discussed

  1. Comparative TEA for Indirect Liquefaction Pathways to Distillate-Range Fuels via Oxygenated Intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Eric; Snowden-Swan, Lesley J.; Talmadge, Michael; Dutta, Abhijit; Jones, Susanne; Ramasamy, Karthikeyan; Gray, Michael; Dagle, Robert; Padmaperuma, Asanga; Gerber, Mark; Sahir, Asad; Tao, Ling; Zhang, Yanan

    2017-03-03

    This paper presents a comparative techno-economic analysis of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with specific focus on pathways utilizing oxygenated intermediates (derived either via thermochemical or biochemical conversion steps). The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include: biomass-to-syngas via indirect gasification, gas cleanup, conversion of syngas to alcohols/oxygenates, followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. We show that the emerging pathways via oxygenated intermediates have the potential to be cost competitive with the conventional Fischer-Tropsch process. The evaluated pathways and the benchmark process generally exhibit similar fuel yields and carbon conversion efficiencies. The resulting minimum fuel selling prices are comparable to the benchmark at approximately $3.60 per gallon-gasoline equivalent, with potential for two new pathways to be more economically competitive. Additionally, the coproduct values can play an important role in the economics of the processes with oxygenated intermediates derived via syngas fermentation. Major cost drivers for the integrated processes are tied to achievable fuel yields and conversion efficiency of the intermediate steps, i.e., the production of oxygenates/alcohols from syngas and the conversion of oxygenates/alcohols to hydrocarbon fuels.

  2. Real-time and high accuracy frequency measurements for intermediate frequency narrowband signals

    Science.gov (United States)

    Tian, Jing; Meng, Xiaofeng; Nie, Jing; Lin, Liwei

    2018-01-01

    Real-time and accurate measurements of intermediate frequency signals based on microprocessors are difficult due to the computational complexity and limited time constraints. In this paper, a fast and precise methodology based on the sigma-delta modulator is designed and implemented by first generating the twiddle factors using the designed recursive scheme. This scheme requires zero times of multiplications and only half amounts of addition operations by using the discrete Fourier transform (DFT) and the combination of the Rife algorithm and Fourier coefficient interpolation as compared with conventional methods such as DFT and Fast Fourier Transform. Experimentally, when the sampling frequency is 10 MHz, the real-time frequency measurements with intermediate frequency and narrowband signals have a measurement mean squared error of ±2.4 Hz. Furthermore, a single measurement of the whole system only requires approximately 0.3 s to achieve fast iteration, high precision, and less calculation time.

  3. Intermediate size LWR plant study for process heat plus power. Volume 1. Executive summary

    International Nuclear Information System (INIS)

    Head, M.A.

    1977-01-01

    The appropriateness of intermediate sized LWRs is evaluated for application to the process industry and for cogeneration of electric power and process steam. This brief study is directed toward determination of whether such plants show enough promise to warrant more detailed investigation. In light of higher fossil fuel costs, the study shows that intermediate sized, standardized power plants potentially are economically competitive for such industrial applications. A representative intermediate sized operating plant of the BWR/4 design class, the Swiss Muhleberg unit (1000 MWt) has been examined with respect to design, licensability, capacity factor and cost. It has operated at high capacity factor (approximately 75 percent) since turnover 11/72. Its cost when escalated from 1969 to 1976 ($620/kWe) appears competitive. Cost adjustments ($100-$250/kWe) included at this stage for compliance with current licensing and mandatory design requirements are only a preliminary estimate. Further study is recommended to confirm necessary regulatory upgrades for this BWR/4 nuclear plant and to explore specific cost economies through replication leading to a program for construction of a demonstration plant

  4. Multimetallic catalysed cross-coupling of aryl bromides with aryl triflates

    Science.gov (United States)

    Ackerman, Laura K. G.; Lovell, Matthew M.; Weix, Daniel J.

    2015-08-01

    The advent of transition-metal catalysed strategies for forming new carbon-carbon bonds has revolutionized the field of organic chemistry, enabling the efficient synthesis of ligands, materials, and biologically active molecules. In cases where a single metal fails to promote a selective or efficient transformation, the synergistic cooperation of two distinct catalysts--multimetallic catalysis--can be used instead. Many important reactions rely on multimetallic catalysis, such as the Wacker oxidation of olefins and the Sonogashira coupling of alkynes with aryl halides, but this approach has largely been limited to the use of metals with distinct reactivities, with only one metal catalyst undergoing oxidative addition. Here, we demonstrate that cooperativity between two group 10 metal catalysts--(bipyridine)nickel and (1,3-bis(diphenylphosphino)propane)palladium--enables a general cross-Ullmann reaction (the cross-coupling of two different aryl electrophiles). Our method couples aryl bromides with aryl triflates directly, eliminating the use of arylmetal reagents and avoiding the challenge of differentiating between multiple carbon-hydrogen bonds that is required for direct arylation methods. Selectivity can be achieved without an excess of either substrate and originates from the orthogonal reactivity of the two catalysts and the relative stability of the two arylmetal intermediates. While (1,3-bis(diphenylphosphino)propane)palladium reacts preferentially with aryl triflates to afford a persistent intermediate, (bipyridine)nickel reacts preferentially with aryl bromides to form a transient, reactive intermediate. Although each catalyst forms less than 5 per cent cross-coupled product in isolation, together they are able to achieve a yield of up to 94 per cent. Our results reveal a new method for the synthesis of biaryls, heteroaryls, and dienes, as well as a general mechanism for the selective transfer of ligands between two metal catalysts. We anticipate that this

  5. Hierarchical low-rank approximation for high dimensional approximation

    KAUST Repository

    Nouy, Anthony

    2016-01-07

    Tensor methods are among the most prominent tools for the numerical solution of high-dimensional problems where functions of multiple variables have to be approximated. Such high-dimensional approximation problems naturally arise in stochastic analysis and uncertainty quantification. In many practical situations, the approximation of high-dimensional functions is made computationally tractable by using rank-structured approximations. In this talk, we present algorithms for the approximation in hierarchical tensor format using statistical methods. Sparse representations in a given tensor format are obtained with adaptive or convex relaxation methods, with a selection of parameters using crossvalidation methods.

  6. Hierarchical low-rank approximation for high dimensional approximation

    KAUST Repository

    Nouy, Anthony

    2016-01-01

    Tensor methods are among the most prominent tools for the numerical solution of high-dimensional problems where functions of multiple variables have to be approximated. Such high-dimensional approximation problems naturally arise in stochastic analysis and uncertainty quantification. In many practical situations, the approximation of high-dimensional functions is made computationally tractable by using rank-structured approximations. In this talk, we present algorithms for the approximation in hierarchical tensor format using statistical methods. Sparse representations in a given tensor format are obtained with adaptive or convex relaxation methods, with a selection of parameters using crossvalidation methods.

  7. Nucleon-nucleus inelastic scattering using a relativistic impulse approximation with exchange

    International Nuclear Information System (INIS)

    Rost, E.; Shepard, J.R.

    1987-01-01

    We formulate a microscopic relativistic treatment of nucleon-nucleus inelastic scattering in a distorted wave impulse approximation. The interaction is taken from a Lorentz invariant formulation with explicit direct and exchange terms constrained by fitting to experimental NN amplitudes. This procedure allows us to apply the theory in the lower range of intermediate energies (100--400 MeV) where exchange effects are likely to be important. Application to inelastic scattering uses this interaction for both the distorting potentials and the transition interaction. Effects of explicit exchange are studied and a preliminary analysis of /sup 12/C(p,p') data is presented

  8. Approximate optimal tracking control for near-surface AUVs with wave disturbances

    Science.gov (United States)

    Yang, Qing; Su, Hao; Tang, Gongyou

    2016-10-01

    This paper considers the optimal trajectory tracking control problem for near-surface autonomous underwater vehicles (AUVs) in the presence of wave disturbances. An approximate optimal tracking control (AOTC) approach is proposed. Firstly, a six-degrees-of-freedom (six-DOF) AUV model with its body-fixed coordinate system is decoupled and simplified and then a nonlinear control model of AUVs in the vertical plane is given. Also, an exosystem model of wave disturbances is constructed based on Hirom approximation formula. Secondly, the time-parameterized desired trajectory which is tracked by the AUV's system is represented by the exosystem. Then, the coupled two-point boundary value (TPBV) problem of optimal tracking control for AUVs is derived from the theory of quadratic optimal control. By using a recently developed successive approximation approach to construct sequences, the coupled TPBV problem is transformed into a problem of solving two decoupled linear differential sequences of state vectors and adjoint vectors. By iteratively solving the two equation sequences, the AOTC law is obtained, which consists of a nonlinear optimal feedback item, an expected output tracking item, a feedforward disturbances rejection item, and a nonlinear compensatory term. Furthermore, a wave disturbances observer model is designed in order to solve the physically realizable problem. Simulation is carried out by using the Remote Environmental Unit (REMUS) AUV model to demonstrate the effectiveness of the proposed algorithm.

  9. Beam echoes in the presence of coupling

    Energy Technology Data Exchange (ETDEWEB)

    Gross, Axel [Case Western Reserve U.

    2017-10-03

    Transverse beam echoes could provide a new technique of measuring diusion characteristics orders of magnitude faster than the current methods; however, their interaction with many accelerator parameters is poorly understood. Using a program written in C, we explored the relationship between coupling and echo strength. We found that echoes could be generated in both dimensions, even with a dipole kick in only one dimension. We found that the echo eects are not destroyed even when there is strong coupling, falling o only at extremely high coupling values. We found that at intermediate values of skew quadrupole strength, the decoherence time of the beam is greatly increased, causing a destruction of the echo eects. We found that this is caused by a narrowing of the tune width of the particles. Results from this study will help to provide recommendations to IOTA (Integrable Optics Test Accelerator) for their upcoming echo experiment.

  10. Isotopic studies on oxidative methane coupling over samarium oxide

    International Nuclear Information System (INIS)

    Otsuka, Kiyoshi; Inaida, Masakatsu; Wada, Yuji; Komatsu, Takayuki; Morikawa, Akira

    1989-01-01

    The evident kinetic isotope effect was observed for the formations of ethylene and ethane through the oxidative coupling of methane on Sm 2 O 3 , when CH 4 and CD 4 were used as the reactants. Ethanes formed in the reaction of a mixture of CH 4 , CD 4 , and O 2 were C 2 H 6 , C 2 H 3 D 3 , and C 2 D 6 as major products. These results indicate that the rate-determining step of the reaction is abstraction of hydrogen from methane and that ethane is formed through the coupling of methyl intermediate. (author)

  11. Optoelectronic properties of XIn2S4 (X = Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations

    International Nuclear Information System (INIS)

    Yousaf, Masood; Dalhatu, S.A.; Murtaza, G.; Khenata, R.; Sajjad, M.; Musa, A.; Rahnamaye Aliabad, H.A.; Saeed, M.A.

    2015-01-01

    Highlights: • Highly accurate all-electron FP-LAPW+lo method is used. • New physical parameters are reported, important for the fabrication of optoelectronic devices. • A comparative study that involves FP-LAPW+lo method and modified approximations. • Computed band gap values have good agreement with the experimental values. • Optoelectronic results of fundamental importance can be utilized for the fabrication of devices. - Abstract: We report the structural, electronic and optical properties of the thiospinels XIn 2 S 4 (X = Cd, Mg), using highly accurate all-electron full potential linearized augmented plane wave plus local orbital method. In order to calculate the exchange and correlation energies, the method is coupled with modified techniques such as GGA+U and mBJ-GGA, which yield improved results as compared to the previous studies. GGA+SOC approximation is also used for the first time on these compounds to examine the spin orbit coupling effect on the band structure. From the analysis of the structural parameters, robust character is predicted for both materials. Energy band structures profiles are fairly the same for GGA, GGA+SOC, GGA+U and mBJ-GGA, confirming the indirect and direct band gap nature of CdIn 2 S 4 and MgIn 2 S 4 materials, respectively. We report the trend of band gap results as: (mBJ-GGA) > (GGA+U) > (GGA) > (GGA+SOC). Localized regions appearing in the valence bands for CdIn 2 S 4 tend to split up nearly by ≈1 eV in the case of GGA+SOC. Many new physical parameters are reported that can be important for the fabrication of optoelectronic devices. Optical spectra namely, dielectric function (DF), refractive index n(ω), extinction coefficient k(ω), reflectivity R(ω), optical conductivity σ(ω), absorption coefficient α(ω) and electron loss function are discussed. Optical’s absorption edge is noted to be 1.401 and 1.782 for CdIn 2 S 4 and MgIn 2 S 4 , respectively. The prominent peaks in the electron energy spectrum

  12. Information acquisition and financial intermediation

    OpenAIRE

    Boyarchenko, Nina

    2012-01-01

    This paper considers the problem of information acquisition in an intermediated market, where the specialists have access to superior technology for acquiring information. These informational advantages of specialists relative to households lead to disagreement between the two groups, changing the shape of the intermediation-constrained region of the economy and increasing the frequency of periods when the intermediation constraint binds. Acquiring the additional information is, however, cost...

  13. Approximate solution to the Kolmogorov equation for a fission chain-reacting system

    International Nuclear Information System (INIS)

    Ruby, L.; McSwine, T.L.

    1986-01-01

    An approximate solution has been obtained for the Kolmogorov equation describing a fission chain-reacting system. The method considers the population of neutrons, delayed-neutron precursors, and detector counts. The effect of the detector is separated from the statistics of the chain reaction by a weak coupling assumption that predicts that the detector responds to the average rather than to the instantaneous neutron population. An approximate solution to the remaining equation, involving the populations of neutrons and precursors, predicts a negative-binomial behaviour for the neutron probability distribution

  14. Multidimensional method of spatially coupled approximation to the transverse escape in nodal codes

    International Nuclear Information System (INIS)

    Jatuff, F.E.

    1990-01-01

    A natural extension of the polynomic development programmed in RHENO code is presented, which adds to the variable order one-dimensional functions sum, a number of terms that represent functions of production. These new terms, which provide a direct determination of transverse escapes, are calculated from the new variables coupling among nodes: the 4 fluxes in rectangle vortices (bidimensional Cartesian geometry) or the 12 fluxes half-way through the parallelepiped edges (tridimensional Cartesian geometry). (Author) [es

  15. Quantum scattering beyond the plane-wave approximation

    Science.gov (United States)

    Karlovets, Dmitry

    2017-12-01

    While a plane-wave approximation in high-energy physics works well in a majority of practical cases, it becomes inapplicable for scattering of the vortex particles carrying orbital angular momentum, of Airy beams, of the so-called Schrödinger cat states, and their generalizations. Such quantum states of photons, electrons and neutrons have been generated experimentally in recent years, opening up new perspectives in quantum optics, electron microscopy, particle physics, and so forth. Here we discuss the non-plane-wave effects in scattering brought about by the novel quantum numbers of these wave packets. For the well-focused electrons of intermediate energies, already available at electron microscopes, the corresponding contribution can surpass that of the radiative corrections. Moreover, collisions of the cat-like superpositions of such focused beams with atoms allow one to probe effects of the quantum interference, which have never played any role in particle scattering.

  16. Synchronization of three electrochemical oscillators: From local to global coupling

    Science.gov (United States)

    Liu, Yifan; Sebek, Michael; Mori, Fumito; Kiss, István Z.

    2018-04-01

    We investigate the formation of synchronization patterns in an oscillatory nickel electrodissolution system in a network obtained by superimposing local and global coupling with three electrodes. We explored the behavior through numerical simulations using kinetic ordinary differential equations, Kuramoto type phase models, and experiments, in which the local to global coupling could be tuned by cross resistances between the three nickel wires. At intermediate coupling strength with predominant global coupling, two of the three oscillators, whose natural frequencies are closer, can synchronize. By adding even a relatively small amount of local coupling (about 9%-25%), a spatially organized partially synchronized state can occur where one of the two synchronized elements is in the center. A formula was derived for predicting the critical coupling strength at which full synchronization will occur independent of the permutation of the natural frequencies of the oscillators over the network. The formula correctly predicts the variation of the critical coupling strength as a function of the global coupling fraction, e.g., with local coupling the critical coupling strength is about twice than that required with global coupling. The results show the importance of the topology of the network on the synchronization properties in a simple three-oscillator setup and could provide guidelines for decrypting coupling topology from identification of synchronization patterns.

  17. Probing in-medium spin–orbit interaction with intermediate-energy heavy-ion collisions

    International Nuclear Information System (INIS)

    Xu, Jun; Li, Bao-An

    2013-01-01

    Incorporating for the first time both the spin and isospin degrees of freedom explicitly in transport model simulations of intermediate-energy heavy-ion collisions, we observe that a local spin polarization appears during collision process. Most interestingly, it is found that the nucleon spin up–down differential transverse flow is a sensitive probe of the spin–orbit interaction, providing a novel approach to probe both the density and isospin dependence of the in-medium spin–orbit coupling that is important for understanding the structure of rare isotopes and synthesis of superheavy elements

  18. πN scattering and γN → Nπ photoproduction within the unitary improved Born approximation

    Science.gov (United States)

    Mariano, A.

    2007-07-01

    Following the programme of describing consistently several processes where the isobar Δ(1232 MeV) nucleon resonance appears as an intermediate state, in this work we propose to unitarize our old improved Born approximation already used to describe successfully π+p elastic and radiative scattering, to treat pion photoproduction. First we add the effect of final state interactions and make a new determination of the mass, width and the coupling constant to the pion-nucleon state of the Δ resonance. Then extending the model for pion photoproduction and using the resonance parameters determined previously, we are able to define effective form factors (at k2γ = 0) for the γN → Δ vertex with values GM = 2.97 ± 0.08 and GE = 0.055 ± 0.010, by fitting the data for the M3/21+ and E3/21+ multipoles. These values are fully consistent with recent chiral effective field theory calculations, and using them we can predict satisfactorily the data for other multipoles and the photoproduction cross section. Finally, we intend a model-independent determination of the bare form factors making a dynamical dressing of the vertex, getting G0M = 1.69 ± 0.02, G0E = 0.028 ± 0.008 and R0EM = -1.67 ± 0.45%, which are compared with different quark models.

  19. Bound-state problem in the light-front Tamm-Dancoff approximation: Numerical study in 1+1 dimensions

    International Nuclear Information System (INIS)

    Harindranath, A.; Perry, R.J.; Shigemitsu, J.

    1992-01-01

    Numerical solutions to the two-fermion bound-state problem in the (1+1)-dimensional Yukawa model are presented within the lowest-order light-front Tamm-Dancoff approximation (i.e., keeping only two-fermion and two-fermion--one-boson sectors). Our motivation is twofold. First, we want to understand the dynamics of the model from the very-weak-coupling domain, where the system is governed by nonrelativistic dynamics, to moderate and strong-coupling domains where retardation and self-energy effects become important. Second, we want to develop techniques for solving coupled Tamm-Dancoff integral equations, in particular, methods that can be generalized to higher-order Tamm-Dancoff approximations. To achieve the first goal we first simplify the problem considerably (from a numerical point of view) by the explicit elimination of the higher Fock-space sector. The resulting integral equation, whose kernel depends upon the invariant mass of the state, is solved for the coupling constant, for a given set of the invariant mass and fermion and boson mass parameters. To achieve the second goal we solve the coupled set of equations using both basis functions and direct-discretization techniques. Results from these more general techniques are compared with the explicit-elimination method

  20. Glutamate availability is important in intramuscular amino acid metabolism and TCA cycle intermediates but does not affect peak oxidative metabolism.

    Science.gov (United States)

    Mourtzakis, M; Graham, T E; González-Alonso, J; Saltin, B

    2008-08-01

    Muscle glutamate is central to reactions producing 2-oxoglutarate, a tricarboxylic acid (TCA) cycle intermediate that essentially expands the TCA cycle intermediate pool during exercise. Paradoxically, muscle glutamate drops approximately 40-80% with the onset of exercise and 2-oxoglutarate declines in early exercise. To investigate the physiological relationship between glutamate, oxidative metabolism, and TCA cycle intermediates (i.e., fumarate, malate, 2-oxoglutarate), healthy subjects trained (T) the quadriceps of one thigh on the single-legged knee extensor ergometer (1 h/day at 70% maximum workload for 5 days/wk), while their contralateral quadriceps remained untrained (UT). After 5 wk of training, peak oxygen consumption (VO2peak) in the T thigh was greater than that in the UT thigh (PTCA cycle intermediates. In the UT thigh, peak exercise (vs. rest) induced an increase in fumarate (0.33+/-0.07 vs. 0.02+/-0.01 mmol/kg dry wt (dw), PTCA cycle, glutamate and TCA cycle intermediates do not directly affect VO2peak in either trained or untrained muscle.

  1. Dynamic Model and Vibration Characteristics of Planar 3-RRR Parallel Manipulator with Flexible Intermediate Links considering Exact Boundary Conditions

    Directory of Open Access Journals (Sweden)

    Lianchao Sheng

    2017-01-01

    Full Text Available Due to the complexity of the dynamic model of a planar 3-RRR flexible parallel manipulator (FPM, it is often difficult to achieve active vibration control algorithm based on the system dynamic model. To establish a simple and efficient dynamic model of the planar 3-RRR FPM to study its dynamic characteristics and build a controller conveniently, firstly, considering the effect of rigid-flexible coupling and the moment of inertia at the end of the flexible intermediate link, the modal function is determined with the pinned-free boundary condition. Then, considering the main vibration modes of the system, a high-efficiency coupling dynamic model is established on the basis of guaranteeing the model control accuracy. According to the model, the modal characteristics of the flexible intermediate link are analyzed and compared with the modal test results. The results show that the model can effectively reflect the main vibration modes of the planar 3-RRR FPM; in addition the model can be used to analyze the effects of inertial and coupling forces on the dynamics model and the drive torque of the drive motor. Because this model is of the less dynamic parameters, it is convenient to carry out the control program.

  2. Glutamate availability is important in intramuscular amino acid metabolism and TCA cycle intermediates but does not affect peak oxidative metabolism

    DEFF Research Database (Denmark)

    Mourtzakis, M.; Graham, T.E.; Gonzalez-Alonso, J.

    2008-01-01

    Muscle glutamate is central to reactions producing 2-oxoglutarate, a tricarboxylic acid (TCA) cycle intermediate that essentially expands the TCA cycle intermediate pool during exercise. Paradoxically, muscle glutamate drops approximately 40-80% with the onset of exercise and 2-oxoglutarate...... declines in early exercise. To investigate the physiological relationship between glutamate, oxidative metabolism, and TCA cycle intermediates (i.e., fumarate, malate, 2-oxoglutarate), healthy subjects trained (T) the quadriceps of one thigh on the single-legged knee extensor ergometer (1 h/day at 70......% maximum workload for 5 days/wk), while their contralateral quadriceps remained untrained (UT). After 5 wk of training, peak oxygen consumption (VO2peak) in the T thigh was greater than that in the UT thigh (Pglutamate infusion. Peak...

  3. Approximated solutions to the Schroedinger equation

    International Nuclear Information System (INIS)

    Rico, J.F.; Fernandez-Alonso, J.I.

    1977-01-01

    The authors are currently working on a couple of the well-known deficiencies of the variation method and present here some of the results that have been obtained so far. The variation method does not give information a priori on the trial functions best suited for a particular problem nor does it give information a posteriori on the degree of precision attained. In order to clarify the origin of both difficulties, a geometric interpretation of the variation method is presented. This geometric interpretation is the starting point for the exact formal solution to the fundamental state and for the step-by-step approximations to the exact solution which are also given. Some comments on these results are included. (Auth.)

  4. Discourses and Models of Intermediality

    OpenAIRE

    Schröter, Jens

    2011-01-01

    In his article "Discourses and Models of Intermediality" Jens Schröter discusses the question as to what relations do different discourses pose between different "media." Schröter identifies four models of discourse: 1) synthetic intermediality: a "fusion" of different media to super-media, a model with roots in the Wagnerian concept of Gesamtkunstwerk with political connotations, 2) formal (or transmedial) intermediality: a concept based on formal structures not "specific" to one medium but ...

  5. Spin–orbit coupling, minimal model and potential Cooper-pairing from repulsion in BiS2-superconductors

    Science.gov (United States)

    Cobo-Lopez, Sergio; Saeed Bahramy, Mohammad; Arita, Ryotaro; Akbari, Alireza; Eremin, Ilya

    2018-04-01

    We develop the realistic minimal electronic model for recently discovered BiS2 superconductors including the spin–orbit (SO) coupling based on the first-principles band structure calculations. Due to strong SO coupling, characteristic for the Bi-based systems, the tight-binding low-energy model necessarily includes p x , p y , and p z orbitals. We analyze a potential Cooper-pairing instability from purely repulsive interaction for the moderate electronic correlations using the so-called leading angular harmonics approximation. For small and intermediate doping concentrations we find the dominant instabilities to be {d}{x2-{y}2}-wave, and s ±-wave symmetries, respectively. At the same time, in the absence of the sizable spin fluctuations the intra and interband Coulomb repulsions are of the same strength, which yield the strongly anisotropic behavior of the superconducting gaps on the Fermi surface. This agrees with recent angle resolved photoemission spectroscopy findings. In addition, we find that the Fermi surface topology for BiS2 layered systems at large electron doping can resemble the doped iron-based pnictide superconductors with electron and hole Fermi surfaces maintaining sufficient nesting between them. This could provide further boost to increase T c in these systems.

  6. Non-Hermitian wave packet approximation for coupled two-level systems in weak and intense fields

    Energy Technology Data Exchange (ETDEWEB)

    Puthumpally-Joseph, Raiju; Charron, Eric [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, F-91405 Orsay (France); Sukharev, Maxim [Science and Mathematics Faculty, College of Letters and Sciences, Arizona State University, Mesa, Arizona 85212 (United States)

    2016-04-21

    We introduce a non-Hermitian Schrödinger-type approximation of optical Bloch equations for two-level systems. This approximation provides a complete and accurate description of the coherence and decoherence dynamics in both weak and strong laser fields at the cost of losing accuracy in the description of populations. In this approach, it is sufficient to propagate the wave function of the quantum system instead of the density matrix, providing that relaxation and dephasing are taken into account via automatically adjusted time-dependent gain and decay rates. The developed formalism is applied to the problem of scattering and absorption of electromagnetic radiation by a thin layer comprised of interacting two-level emitters.

  7. Aspects of approximate optimisation: overcoming the curse of dimensionality and design of experiments

    NARCIS (Netherlands)

    Trichon, Sophie; Bonte, M.H.A.; Ponthot, Jean-Philippe; van den Boogaard, Antonius H.

    2007-01-01

    Coupling optimisation algorithms to Finite Element Methods (FEM) is a very promising way to achieve optimal metal forming processes. However, many optimisation algorithms exist and it is not clear which of these algorithms to use. This paper investigates the sensitivity of a Sequential Approximate

  8. Time-resolved resonance Raman spectroscopy of intermediates of bacteriorhodopsin: The bK(590) intermediate.

    Science.gov (United States)

    Terner, J; Hsieh, C L; Burns, A R; El-Sayed, M A

    1979-07-01

    We have combined microbeam and flow techniques with computer subtraction methods to obtain the resonance Raman spectrum of the short lived batho-intermediate (bK(590)) of bacteriorhodopsin. Comparison of the spectra obtained in (1)H(2)O and (2)H(2)O, as well as the fact that the bK(590) intermediate shows large optical red shifts, suggests that the Schiff base linkage of this intermediate is protonated. The fingerprint region of the spectrum of bK(590), sensitive to the isomeric configuration of the retinal chromophore, does not resemble the corresponding region of the parent bR(570) form. The resonance Raman spectrum of bK(590) as well as the spectra of all of the other main intermediates in the photoreaction cycle of bacteriorhodopsin are discussed and compared with resonance Raman spectra of published model compounds.

  9. A variationally coupled FE-BE method for elasticity and fracture mechanics

    Science.gov (United States)

    Lu, Y. Y.; Belytschko, T.; Liu, W. K.

    1991-01-01

    A new method for coupling finite element and boundary element subdomains in elasticity and fracture mechanics problems is described. The essential feature of this new method is that a single variational statement is obtained for the entire domain, and in this process the terms associated with tractions on the interfaces between the subdomains are eliminated. This provides the additional advantage that the ambiguities associated with the matching of discontinuous tractions are circumvented. The method leads to a direct procedure for obtaining the discrete equations for the coupled problem without any intermediate steps. In order to evaluate this method and compare it with previous methods, a patch test for coupled procedures has been devised. Evaluation of this variationally coupled method and other methods, such as stiffness coupling and constraint traction matching coupling, shows that this method is substantially superior. Solutions for a series of fracture mechanics problems are also reported to illustrate the effectiveness of this method.

  10. Nonlinear coupling of tearing fluctuations in the Madison Symmetric Torus

    International Nuclear Information System (INIS)

    Sarff, J.S.; Almagri, A.F.; Cekic, M.; Den Hartog, D.J.; Fiksel, G.; Hokin, S.A.; Ji, H.; Prager, S.C.; Shen, W.; Stoneking, M.R.; Assadi, S.; Sidikman, K.L.

    1992-11-01

    Three-wave, nonlinear, tearing mode coupling has been measured in the Madison Symmetric Torus (MST) reversed-field pinch (RFP) [Fusion Technol. 19, 131 (1991)] using bispectral analysis of edge magnetic fluctuations resolved in ''k-space. The strength of nonlinear three-wave interactions satisfying the sum rules m 1 + m 2 = m 3 and n 1 + n 2 = n 3 is measured by the bicoherency. In the RFP, m=l, n∼2R/a (6 for MST) internally resonant modes are linearly unstable and grow to large amplitude. Large values of bicoherency occur for two m=l modes coupled to an m=2 mode and the coupling of intermediate toroidal modes, e.g., n=6 and 7 coupled to n=13. These experimental bispectral features agree with predicted bispectral features derived from MHD computation. However, in the experiment, enhanced coupling occurs in the ''crash'' phase of a sawtooth oscillation concomitant with a broadened mode spectrum suggesting the onset of a nonlinear cascade

  11. Coupling of carbon monoxide molecules over oxygen-defected UO2(111) single crystal and thin film surfaces.

    Science.gov (United States)

    Senanayake, S D; Waterhouse, G I N; Idriss, H; Madey, Theodore E

    2005-11-22

    While coupling reactions of carbon-containing compounds are numerous in organometallic chemistry, they are very rare on well-defined solid surfaces. In this work we show that the reductive coupling of two molecules of carbon monoxide to C2 compounds (acetylene and ethylene) could be achieved on oxygen-defected UO2(111) single crystal and thin film surfaces. This result allows in situ electron spectroscopic investigation of a typical organometallic reaction such as carbon coupling and extends it to heterogeneous catalysis and solids. By using high-resolution photoelectron spectroscopy (HRXPS) it was possible to track the changes in surface states of the U and O atoms as well as identify the intermediate of the reaction. Upon CO adsorption U cations in low oxidation states are oxidized to U4+ ions; this was accompanied by an increase of the O-to-U surface ratios. The HRXPS C 1s lines show the presence of adsorbed species assigned to diolate species (-OCH=CHO-) that are most likely the reaction intermediate in the coupling of two CO molecules to acetylene and ethylene.

  12. Coupling of Carbon Monoxide Molecules over Oxygen Defected UO2 (111) Single Crystal and Thin Film Surfaces

    International Nuclear Information System (INIS)

    Senanayake, S.; Waterhouse, G.; Idriss, H.; Madey, T.

    2005-01-01

    While coupling reactions of carbon-containing compounds are numerous in organometallic chemistry, they are very rare on well-defined solid surfaces. In this work we show that the reductive coupling of two molecules of carbon monoxide to C 2 compounds (acetylene and ethylene) could be achieved on oxygen-defected UO 2 (111) single crystal and thin film surfaces. This result allows in situ electron spectroscopic investigation of a typical organometallic reaction such as carbon coupling and extends it to heterogeneous catalysis and solids. By using high-resolution photoelectron spectroscopy (HRXPS) it was possible to track the changes in surface states of the U and O atoms as well as identify the intermediate of the reaction. Upon CO adsorption U cations in low oxidation states are oxidized to U 4+ ions; this was accompanied by an increase of the O-to-U surface ratios. The HRXPS C 1s lines show the presence of adsorbed species assigned to diolate species (-OCH=CHO-) that are most likely the reaction intermediate in the coupling of two CO molecules to acetylene and ethylene

  13. Role of Intermediate Filaments in Vesicular Traffic

    Directory of Open Access Journals (Sweden)

    Azzurra Margiotta

    2016-04-01

    Full Text Available Intermediate filaments are an important component of the cellular cytoskeleton. The first established role attributed to intermediate filaments was the mechanical support to cells. However, it is now clear that intermediate filaments have many different roles affecting a variety of other biological functions, such as the organization of microtubules and microfilaments, the regulation of nuclear structure and activity, the control of cell cycle and the regulation of signal transduction pathways. Furthermore, a number of intermediate filament proteins have been involved in the acquisition of tumorigenic properties. Over the last years, a strong involvement of intermediate filament proteins in the regulation of several aspects of intracellular trafficking has strongly emerged. Here, we review the functions of intermediate filaments proteins focusing mainly on the recent knowledge gained from the discovery that intermediate filaments associate with key proteins of the vesicular membrane transport machinery. In particular, we analyze the current understanding of the contribution of intermediate filaments to the endocytic pathway.

  14. Warm ''pasta'' phase in the Thomas-Fermi approximation

    International Nuclear Information System (INIS)

    Avancini, Sidney S.; Menezes, Debora P.; Chiacchiera, Silvia; Providencia, Constanca

    2010-01-01

    In the present article, the 'pasta' phase is studied at finite temperatures within a Thomas-Fermi (TF) approach. Relativistic mean-field models, both with constant and density-dependent couplings, are used to describe this frustrated system. We compare the present results with previous ones obtained within a phase-coexistence description and conclude that the TF approximation gives rise to a richer inner ''pasta'' phase structure and the homogeneous matter appears at higher densities. Finally, the transition density calculated within TF is compared with the results for this quantity obtained with other methods.

  15. Bond-order wave phase of the extended Hubbard model: Electronic solitons, paramagnetism, and coupling to Peierls and Holstein phonons

    Science.gov (United States)

    Kumar, Manoranjan; Soos, Zoltán G.

    2010-10-01

    The bond-order wave (BOW) phase of the extended Hubbard model (EHM) in one dimension (1D) is characterized at intermediate correlation U=4t by exact treatment of N -site systems. Linear coupling to lattice (Peierls) phonons and molecular (Holstein) vibrations are treated in the adiabatic approximation. The molar magnetic susceptibility χM(T) is obtained directly up to N=10 . The goal is to find the consequences of a doubly degenerate ground state (gs) and finite magnetic gap Em in a regular array. Degenerate gs with broken inversion symmetry are constructed for finite N for a range of V near the charge-density-wave boundary at V≈2.18t where Em≈0.5t is large. The electronic amplitude B(V) of the BOW in the regular array is shown to mimic a tight-binding band with small effective dimerization δeff . Electronic spin and charge solitons are elementary excitations of the BOW phase and also resemble topological solitons with small δeff . Strong infrared intensity of coupled molecular vibrations in dimerized 1D systems is shown to extend to the regular BOW phase while its temperature dependence is related to spin solitons. The Peierls instability to dimerization has novel aspects for degenerate gs and substantial Em that suppresses thermal excitations. Finite Em implies exponentially small χM(T) at low temperature followed by an almost linear increase with T . The EHM with U=4t is representative of intermediate correlations in quasi-1D systems such as conjugated polymers or organic ion-radical and charge-transfer salts. The vibronic and thermal properties of correlated models with BOW phases are needed to identify possible physical realizations.

  16. Intermediality: Bridge to Critical Media Literacy.

    Science.gov (United States)

    Pailliotet, Ann Watts; Semali, Ladislaus; Rodenberg, Rita K.; Giles, Jackie K.; Macaul, Sherry L.

    2000-01-01

    Defines "intermediality" as the ability to critically read and write with and across varied symbol systems. Relates it to critical media literacy. Offers rationales for teaching critical media literacy in general, and intermedial instruction in particular. Identifies seven guiding intermedial elements: theory, texts, processes, contexts,…

  17. Electron scattering from sodium at intermediate energies

    International Nuclear Information System (INIS)

    Mitroy, J.; McCarthy, I.E.

    1986-10-01

    A comprehensive comparison is made between theoretical calculations and experimental data for intermediate energy (≥ 10 eV) electron scattering from sodium vapour. The theoretical predictions of coupled-channels calculations (including one, two or four channels) do not agree with experimental values of the differential cross sections for elastic scattering or the resonant 3s to 3p excitation. Increasingly-more-sophisticated calculations, incorporating electron correlations in the target states, and also including core-excited states in the close-coupling expansion, are done at a few selected energies in an attempt to isolate the cause of the discrepancies between theory and experiment. It is found that these more-sophisticated calculations give essentially the same results as the two- and four-channel calculations using Hartree-Fock wavefunctions. Comparison of the sodium high-energy elastic differential cross sections with those of neon suggests that the sodium differential cross section experiments may suffer from systematic errors. There is also disagreement, at the higher energies, between theoretical values for the scattering parameters and those that are derived from laser-excited superelastic scattering and electron photon coincidence experiments. When allowance is made for the finite acceptance angle of the electron spectrometers used in the experiments by convoluting the theory with a function representing the distribution of electrons entering the electron spectrometer it is found that the magnitudes of the differences between theory and experiment are reduced

  18. Characterization of intermediate products of solar photocatalytic degradation of ranitidine at pilot-scale.

    Science.gov (United States)

    Radjenović, Jelena; Sirtori, Carla; Petrović, Mira; Barceló, Damià; Malato, Sixto

    2010-04-01

    In the present study the mechanisms of solar photodegradation of H(2)-receptor antagonist ranitidine (RNTD) were studied in a well-defined system of a pilot plant scale Compound Parabolic Collector (CPC) reactor. Two types of heterogeneous photocatalytic experiments were performed: catalysed by titanium-dioxide (TiO(2)) semiconductor and by Fenton reagent (Fe(2+)/H(2)O(2)), each one with distilled water and synthetic wastewater effluent matrix. Complete disappearance of the parent compounds and discreet mineralization were attained in all experiments. Furthermore, kinetic parameters, main intermediate products, release of heteroatoms and formation of carboxylic acids are discussed. The main intermediate products of photocatalytic degradation of RNTD have been structurally elucidated by tandem mass spectrometry (MS(2)) experiments performed at quadrupole-time of flight (QqToF) mass analyzer coupled to ultra-performance liquid chromatograph (UPLC). RNTD displayed high reactivity towards OH radicals, although a product of conduction band electrons reduction was also present in the experiment with TiO(2). In the absence of standards, quantification of intermediates was not possible and only qualitative profiles of their evolution could be determined. The proposed TiO(2) and photo-Fenton degradation routes of RNTD are reported for the first time. (c) 2010 Elsevier Ltd. All rights reserved.

  19. Angular dependences of the tensor analyzing powers in the dd -> sup 3 Hen reaction at intermediate energies

    CERN Document Server

    Ladygin, V P

    2002-01-01

    The tensor analyzing powers A sub y sub y , A sub x sub x , and A sub x sub z in the dd -> sup 3 Hen reaction at intermediate energies are considered in the framework of the one-nucleon-exchange approximation. Their strong sensitivity to the sup 3 He and deuteron spin structure at short distances is shown

  20. J/sub z/-preserving propensities in molecular collisions. I. Quantal coupled states and classical impulsive approximations

    International Nuclear Information System (INIS)

    Khare, V.; Kouri, D.J.; Hoffman, D.K.

    1981-01-01

    The occurrence of j/sub z/-preserving propensities in atom--linear molecule collisions is considered within the contexts of the quantum mechanical CS approximation and of a classical model collision system. The latter involves an impulsive interaction which is the extreme limit of the class of potentials for which the CS approximation is expected to be valid. The classical model results in exact conservation of j/sub z/ along a ''kinematic apse.'' Quantum mechanically, the CS approximation is reformulated in a manner that clearly shows the relationship between the l choice and the degree and direction of j/sub z/ preservation. Away from the forward direction, the simplest choice obeying time reversal symmetry l=(l-script+l')/2, is shown to result in a propensity for preserving j/sub z/ along a ''geometric apse'' which coincides with the kinematic apse in the energy sudden limit, and for nonenergy sudden systems only differs significantly from it close to the forward direction

  1. Collective excitations in the Penson-Kolb model: A generalized random-phase-approximation study

    International Nuclear Information System (INIS)

    Roy, G.K.; Bhattacharyya, B.

    1997-01-01

    The evolution of the superconducting ground state of the half-filled Penson-Kolb model is examined as a function of the coupling constant using a mean-field approach and the generalized random phase approximation (RPA) in two and three dimensions. On-site singlet pairs hop to compete against single-particle motion in this model, giving the coupling constant a strong momentum dependence. There is a pronounced bandwidth enhancement effect that converges smoothly to a finite value in the strong-coupling (Bose) regime. The low-lying collective excitations evaluated in generalized RPA show a linear dispersion and a gradual crossover from the weak-coupling (BCS) limit to the Bose regime; the mode velocity increases monotonically in sharp contrast to the attractive Hubbard model. Analytical results are derived in the asymptotic limits. copyright 1997 The American Physical Society

  2. A Tidal Disruption Event in a Nearby Galaxy Hosting an Intermediate Mass Black Hole

    Science.gov (United States)

    Donato, D; Cenko, S. B.; Covino, S.; Troja, E.; Pursimo, T.; Cheung, C. C.; Fox, O.; Kutyrev, A.; Campana, S.; Fugazza, D.; hide

    2014-01-01

    We report the serendipitous discovery of a bright point source flare in the Abell cluster A1795 with archival EUVE and Chandra observations. Assuming the EUVE emission is associated with the Chandra source, the X-ray 0.5-7 kiloelectronvolt flux declined by a factor of approximately 2300 over a time span of 6 years, following a power-law decay with index approximately equal to 2.44 plus or minus 0.40. The Chandra data alone vary by a factor of approximately 20. The spectrum is well fit by a blackbody with a constant temperature of kiloteslas approximately equal to 0.09 kiloelectronvolts (approximately equal to 10 (sup 6) Kelvin). The flare is spatially coincident with the nuclear region of a faint, inactive galaxy with a photometric redshift consistent at the 1 sigma level with the cluster (redshift = 0.062476).We argue that these properties are indicative of a tidal disruption of a star by a black hole (BH) with log(M (sub BH) / M (sub 1 solar mass)) approximately equal to 5.5 plus or minus 0.5. If so, such a discovery indicates that tidal disruption flares may be used to probe BHs in the intermediate mass range, which are very difficult to study by other means.

  3. Long-range-corrected Rung 3.5 density functional approximations

    Science.gov (United States)

    Janesko, Benjamin G.; Proynov, Emil; Scalmani, Giovanni; Frisch, Michael J.

    2018-03-01

    Rung 3.5 functionals are a new class of approximations for density functional theory. They provide a flexible intermediate between exact (Hartree-Fock, HF) exchange and semilocal approximations for exchange. Existing Rung 3.5 functionals inherit semilocal functionals' limitations in atomic cores and density tails. Here we address those limitations using range-separated admixture of HF exchange. We present three new functionals. LRC-ωΠLDA combines long-range HF exchange with short-range Rung 3.5 ΠLDA exchange. SLC-ΠLDA combines short- and long-range HF exchange with middle-range ΠLDA exchange. LRC-ωΠLDA-AC incorporates a combination of HF, semilocal, and Rung 3.5 exchange in the short range, based on an adiabatic connection. We test these in a new Rung 3.5 implementation including up to analytic fourth derivatives. LRC-ωΠLDA and SLC-ΠLDA improve atomization energies and reaction barriers by a factor of 8 compared to the full-range ΠLDA. LRC-ωΠLDA-AC brings further improvement approaching the accuracy of standard long-range corrected schemes LC-ωPBE and SLC-PBE. The new functionals yield highest occupied orbital energies closer to experimental ionization potentials and describe correctly the weak charge-transfer complex of ethylene and dichlorine and the hole-spin distribution created by an Al defect in quartz. This study provides a framework for more flexible range-separated Rung 3.5 approximations.

  4. Quantum chaos induced by nonadiabatic coupling in wave-packet dynamics

    International Nuclear Information System (INIS)

    Higuchi, Hisashi; Takatsuka, Kazuo

    2002-01-01

    The effect of nonadiabatic coupling due to breakdown of the Born-Oppenheimer approximation on chaos is investigated. A couple of measures (indicators) that detect the extent of chaos in wave-packet dynamics on coupled potential functions are devised. Using them, we show that chaos is indeed induced by a nonadiabatic coupling in individual time-dependent wave-packet dynamics. This chaos is genuinely of quantum nature, since it arises from bifurcation and merging of a wave packet at the quasicrossing region of two coupled potential functions

  5. Transverse acoustic phonon anomalies at intermediate wave vectors in MgV2O4

    Science.gov (United States)

    Weber, T.; Roessli, B.; Stock, C.; Keller, T.; Schmalzl, K.; Bourdarot, F.; Georgii, R.; Ewings, R. A.; Perry, R. S.; Böni, P.

    2017-11-01

    Magnetic spinels (with chemical formula A X2O4 , with X a 3 d transition metal ion) that also have an orbital degeneracy are Jahn-Teller active and hence possess a coupling between spin and lattice degrees of freedom. At high temperatures, MgV2O4 is a cubic spinel based on V3 + ions with a spin S =1 and a triply degenerate orbital ground state. A structural transition occurs at TOO=63 K to an orbitally ordered phase with a tetragonal unit cell followed by an antiferromagnetic transition of TN=42 K on cooling. We apply neutron spectroscopy in single crystals of MgV2O4 to show an anomaly for intermediate wave vectors at TOO associated with the acoustic phonon sensitive to the shear elastic modulus (C11-C12)/2 . On warming, the shear mode softens for momentum transfers near close to half the Brillouin zone boundary, but recovers near the zone center. High resolution spin-echo measurements further illustrate a temporal broadening with increased temperature over this intermediate range of wave vectors, indicative of a reduction in phonon lifetime. A subtle shift in phonon frequencies over the same range of momentum transfers is observed with magnetic fields. We discuss this acoustic anomaly in context of coupling to orbital and charge fluctuations.

  6. Warm intermediate inflationary Universe model in the presence of a generalized Chaplygin gas

    Energy Technology Data Exchange (ETDEWEB)

    Herrera, Ramon [Pontificia Universidad Catolica de Valparaiso, Instituto de Fisica, Valparaiso (Chile); Videla, Nelson [Universidad de Chile, Departamento de Fisica, FCFM, Santiago (Chile); Olivares, Marco [Universidad Diego Portales, Facultad de Ingenieria, Santiago (Chile)

    2016-01-15

    A warm intermediate inflationary model in the context of generalized Chaplygin gas is investigated. We study this model in the weak and strong dissipative regimes, considering a generalized form of the dissipative coefficient Γ = Γ(T,φ), and we describe the inflationary dynamics in the slow-roll approximation. We find constraints on the parameters in our model considering the Planck 2015 data, together with the condition for warm inflation T > H, and the conditions for the weak and strong dissipative regimes. (orig.)

  7. Synchronization of coupled active rotators by common noise

    Science.gov (United States)

    Dolmatova, Anastasiya V.; Goldobin, Denis S.; Pikovsky, Arkady

    2017-12-01

    We study the effect of common noise on coupled active rotators. While such a noise always facilitates synchrony, coupling may be attractive (synchronizing) or repulsive (desynchronizing). We develop an analytical approach based on a transformation to approximate angle-action variables and averaging over fast rotations. For identical rotators, we describe a transition from full to partial synchrony at a critical value of repulsive coupling. For nonidentical rotators, the most nontrivial effect occurs at moderate repulsive coupling, where a juxtaposition of phase locking with frequency repulsion (anti-entrainment) is observed. We show that the frequency repulsion obeys a nontrivial power law.

  8. Tractable approximations for probabilistic models: The adaptive Thouless-Anderson-Palmer mean field approach

    DEFF Research Database (Denmark)

    Opper, Manfred; Winther, Ole

    2001-01-01

    We develop an advanced mean held method for approximating averages in probabilistic data models that is based on the Thouless-Anderson-Palmer (TAP) approach of disorder physics. In contrast to conventional TAP. where the knowledge of the distribution of couplings between the random variables...... is required. our method adapts to the concrete couplings. We demonstrate the validity of our approach, which is so far restricted to models with nonglassy behavior? by replica calculations for a wide class of models as well as by simulations for a real data set....

  9. Low and intermediate level radioactive waste in Mexico

    International Nuclear Information System (INIS)

    Paredes, L.C.; Ortiz, J.R.; Sanchez, S.

    2002-01-01

    Currently, it is necessary to establish, in a few years, a definitive repository for low and intermediate level radioactive waste in order to satisfy the necessities of Mexico for the next 50 years. Consequently, it is required to estimate the volumes of the radioactive waste generated annually, the stored volumes to-date and their projection to medium-term. On this subject, the annual average production of low and intermediate level radioactive waste from the electricity production by means of nuclear power reactors is 250 m 3 /y which consist of humid and dry solid waste from the 2 units of the Laguna Verde Nuclear Power plant having a re-use efficiency of effluents of 95%. On the other hand, the applications in medicine, industry and research generate 20 m 3 /y of solid waste, 280 m 3 /y of liquid waste and approximately 10 m 3 /y from 300 spent sealed radioactive sources. The estimation of the total volume of these waste to the year 2035 is 17500 m 3 corresponding to the 46% of the volume generated by the operation and maintenance of the 2 units of the Laguna Verde Nuclear Power plant, 34% to the decommissioning of these 2 units at the end of their useful life and 20% to the waste generated by applications in medicine, industry and research. (author)

  10. DWBA differential and total pair production cross sections for intermediate energy photons

    International Nuclear Information System (INIS)

    Selvaraju, C.; Bhullar, A.S.; Sud, K.K.

    2001-01-01

    We present in this communication the theoretical differential and total cross section for electron-positron pair creation by intermediate energy photons (5.0-10.0 MeV) on different targets (Z=1, 30, 50, 68, 82 and 92). The computed cross sections are in distorted wave Born approximation (DWBA) in point Coulomb potential. The database of the differential and total pair production cross sections is presented in tabulated as well as in graphical form and the interpolation of differential cross sections for different atomic numbers, positron and photon energies is discussed

  11. A Fokker-Planck treatment of stochastic particle motion within the framework of a fully coupled 6-dimensional formalism for electron-positron storage rings including classical spin motion in linear approximation

    International Nuclear Information System (INIS)

    Barber, D.P.; Heinemann, K.; Mais, H.; Ripken, G.

    1991-12-01

    In the following report we investigate stochastic particle motion in electron-positron storage ring in the framework of a Fokker-Planck treatment. The motion is described by using the canonical variables χ, p χ , z, p z , σ = s - cxt, p σ = ΔE/E 0 of the fully six-dimensional formalism. Thus synchrotron- and betatron-oscillations are treated simultaneously taking into account all kinds of coupling (synchro-betatron coupling and the coupling of the betatron oscillations by skew quadrupoles and solenoids). In order to set up the Fokker-Planck equation, action-angle variables of the linear coupled motion are introduced. The averaged dimensions of the bunch, resulting from radiation damping of the synchro-betatron oscillations and from an excitation of these oscillations by quantum fluctuations, are calculated by solving the Fokker-Planck equation. The surfaces of constant density in the six-dimensional phase space, given by six-dimensional ellipsoids, are determined. It is shown that the motion of such an ellipsoid under the influence of external fields can be described by six generating orbit vectors which may be combined into a six-dimenional matrix B(s). This 'bunch-shape matrix', B(s), contains complete information about the configuration of the bunch. Classical spin diffusion in linear approximation has also been included so that the dependence of the polarization vector on the orbital phase space coordinates can be studied and another derivation of the linearized depolarization time obtained. (orig.)

  12. Quantum close coupling calculation of transport and relaxation properties for Hg-H_2 system

    International Nuclear Information System (INIS)

    Nemati-Kande, Ebrahim; Maghari, Ali

    2016-01-01

    Highlights: • Several relaxation cross sections are calculated for Hg-H_2 van der Waals complex. • These cross sections are calculated from exact close-coupling method. • Energy-dependent SBE cross sections are calculated for ortho- and para-H_2 + Hg systems. • Viscosity and diffusion coefficients are calculated using Mason-Monchick approximation. • The results obtained by Mason-Monchick approximation are compared to the exact close-coupling results. - Abstract: Quantum mechanical close coupling calculation of the state-to-state transport and relaxation cross sections have been done for Hg-H_2 molecular system using a high-level ab initio potential energy surface. Rotationally averaged cross sections were also calculated to obtain the energy dependent Senftleben-Beenakker cross sections at the energy range of 0.005–25,000 cm"−"1. Boltzmann averaging of the energy dependent Senftleben-Beenakker cross sections showed the temperature dependency over a wide temperature range of 50–2500 K. Interaction viscosity and diffusion coefficients were also calculated using close coupling cross sections and full classical Mason-Monchick approximation. The results were compared with each other and with the available experimental data. It was found that Mason-Monchick approximation for viscosity is more reliable than diffusion coefficient. Furthermore, from the comparison of the experimental diffusion coefficients with the result of the close coupling and Mason-Monchick approximation, it was found that the Hg-H_2 potential energy surface used in this work can reliably predict diffusion coefficient data.

  13. Projected coupled cluster theory.

    Science.gov (United States)

    Qiu, Yiheng; Henderson, Thomas M; Zhao, Jinmo; Scuseria, Gustavo E

    2017-08-14

    Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system or has to artificially break certain symmetries. On the other hand, projected Hartree-Fock theory captures the essential physics of many kinds of strong correlations via symmetry breaking and restoration. In this work, we combine and try to retain the merits of these two methods by applying symmetry projection to broken symmetry coupled cluster wave functions. The non-orthogonal nature of states resulting from the application of symmetry projection operators furnishes particle-hole excitations to all orders, thus creating an obstacle for the exact evaluation of overlaps. Here we provide a solution via a disentanglement framework theory that can be approximated rigorously and systematically. Results of projected coupled cluster theory are presented for molecules and the Hubbard model, showing that spin projection significantly improves unrestricted coupled cluster theory while restoring good quantum numbers. The energy of projected coupled cluster theory reduces to the unprojected one in the thermodynamic limit, albeit at a much slower rate than projected Hartree-Fock.

  14. An asymptotically consistent approximant for the equatorial bending angle of light due to Kerr black holes

    Science.gov (United States)

    Barlow, Nathaniel S.; Weinstein, Steven J.; Faber, Joshua A.

    2017-07-01

    An accurate closed-form expression is provided to predict the bending angle of light as a function of impact parameter for equatorial orbits around Kerr black holes of arbitrary spin. This expression is constructed by assuring that the weak- and strong-deflection limits are explicitly satisfied while maintaining accuracy at intermediate values of impact parameter via the method of asymptotic approximants (Barlow et al 2017 Q. J. Mech. Appl. Math. 70 21-48). To this end, the strong deflection limit for a prograde orbit around an extremal black hole is examined, and the full non-vanishing asymptotic behavior is determined. The derived approximant may be an attractive alternative to computationally expensive elliptical integrals used in black hole simulations.

  15. Broadband Microwave Study of Reaction Intermediates and Products Through the Pyrolysis of Oxygenated Biofuels

    Science.gov (United States)

    Abeysekera, Chamara; Hernandez-Castillo, Alicia O.; Fritz, Sean; Zwier, Timothy S.

    2017-06-01

    The rapidly growing list of potential plant-derived biofuels creates a challenge for the scientific community to provide a molecular-scale understanding of their combustion. Development of accurate combustion models rests on a foundation of experimental data on the kinetics and product branching ratios of their individual reaction steps. Therefore, new spectroscopic tools are necessary to selectively detect and characterize fuel components and reactive intermediates generated by pyrolysis and combustion. Substituted furans, including furanic ethers, are considered second-generation biofuel candidates. Following the work of the Ellison group, an 8-18 GHz microwave study was carried out on the unimolecular and bimolecular decomposition of the smallest furanic ether, 2-methoxy furan, and it`s pyrolysis intermediate, the 2-furanyloxy radical, formed in a high-temperature pyrolysis source coupled to a supersonic expansion. Details of the experimental setup and analysis of the spectrum of the radical will be discussed.

  16. A Numerical Approximation Framework for the Stochastic Linear Quadratic Regulator on Hilbert Spaces

    Energy Technology Data Exchange (ETDEWEB)

    Levajković, Tijana, E-mail: tijana.levajkovic@uibk.ac.at, E-mail: t.levajkovic@sf.bg.ac.rs; Mena, Hermann, E-mail: hermann.mena@uibk.ac.at [University of Innsbruck, Department of Mathematics (Austria); Tuffaha, Amjad, E-mail: atufaha@aus.edu [American University of Sharjah, Department of Mathematics (United Arab Emirates)

    2017-06-15

    We present an approximation framework for computing the solution of the stochastic linear quadratic control problem on Hilbert spaces. We focus on the finite horizon case and the related differential Riccati equations (DREs). Our approximation framework is concerned with the so-called “singular estimate control systems” (Lasiecka in Optimal control problems and Riccati equations for systems with unbounded controls and partially analytic generators: applications to boundary and point control problems, 2004) which model certain coupled systems of parabolic/hyperbolic mixed partial differential equations with boundary or point control. We prove that the solutions of the approximate finite-dimensional DREs converge to the solution of the infinite-dimensional DRE. In addition, we prove that the optimal state and control of the approximate finite-dimensional problem converge to the optimal state and control of the corresponding infinite-dimensional problem.

  17. Gauge coupling unification and nonequilibrium thermal dark matter.

    Science.gov (United States)

    Mambrini, Yann; Olive, Keith A; Quevillon, Jérémie; Zaldívar, Bryan

    2013-06-14

    We study a new mechanism for the production of dark matter in the Universe which does not rely on thermal equilibrium. Dark matter is populated from the thermal bath subsequent to inflationary reheating via a massive mediator whose mass is above the reheating scale T(RH). To this end, we consider models with an extra U(1) gauge symmetry broken at some intermediate scale (M(int) ≃ 10(10)-10(12) GeV). We show that not only does the model allow for gauge coupling unification (at a higher scale associated with grand unification) but it can provide a dark matter candidate which is a standard model singlet but charged under the extra U(1). The intermediate scale gauge boson(s) which are predicted in several E6/SO(10) constructions can be a natural mediator between dark matter and the thermal bath. We show that the dark matter abundance, while never having achieved thermal equilibrium, is fixed shortly after the reheating epoch by the relation T(RH)(3)/M(int)(4). As a consequence, we show that the unification of gauge couplings which determines M(int) also fixes the reheating temperature, which can be as high as T(RH) ≃ 10(11) GeV.

  18. On selection rules and inelastic electron scattering at intermediate energies

    International Nuclear Information System (INIS)

    Nuroh, K.

    1986-12-01

    Correlation effects are included in the Bethe-Born theory for the generalized oscillator strength of inelastic scattering of electrons on atoms. The formulation is such as to allow for the calculation of relative line strengths of multiplets. It is used to analyze line strengths of the 4d → 4f transition in La 3+ and Ce 4+ within LS-coupling. The analysis indicates that only singlet states of the intermediate 4d 9 4f configuration are allowed. Calculated line strengths are compared with a recent core electron energy loss spectra of metallic La and tetravalent CeO 2 and there is an overall qualitative agreement between theory and experiment. (author). 11 refs, 4 figs, 2 tabs

  19. Calculating TMDs of a large nucleus: Quasi-classical approximation and quantum evolution

    Directory of Open Access Journals (Sweden)

    Yuri V. Kovchegov

    2016-02-01

    Full Text Available We set up a formalism for calculating transverse-momentum-dependent parton distribution functions (TMDs of a large nucleus using the tools of saturation physics. By generalizing the quasi-classical Glauber–Gribov–Mueller/McLerran–Venugopalan approximation to allow for the possibility of spin–orbit coupling, we show how any TMD can be calculated in the saturation framework. This can also be applied to the TMDs of a proton by modeling it as a large “nucleus.” To illustrate our technique, we calculate the quark TMDs of an unpolarized nucleus at large-x: the unpolarized quark distribution and the quark Boer–Mulders distribution. We observe that spin–orbit coupling leads to mixing between different TMDs of the nucleus and of the nucleons. We then consider the evolution of TMDs: at large-x, in the double-logarithmic approximation, we obtain the Sudakov form factor. At small-x the evolution of unpolarized-target quark TMDs is governed by BK/JIMWLK evolution, while the small-x evolution of polarized-target quark TMDs appears to be dominated by the QCD Reggeon.

  20. Mid-IR Lasers: Challenges Imposed by the Population Dynamics of the Gain System

    Science.gov (United States)

    2010-09-01

    MicroSystems (IOMS) Central-Field Approximation: Perturbations 1. a) Non-centrosymmetric splitting (Coulomb interaction) ⇒ total orbital angular momentum b...Accordingly: ⇒ total electron-spin momentum 2. Spin-orbit coupling (“LS” coupling) ⇒ total angular momentum lanthanides: intermediate coupling (LS / jj) 3...MicroSystems (IOMS) Luminescence Decay Curves Rate-equation for decay: Solution ( Bernoulli -Eq.): Linearized solution: T. Jensen, Ph.D. Thesis, Univ. Hamburg

  1. The intermediate state in Patd

    African Journals Online (AJOL)

    ) Jesus had assumed. (concerning the 'intermediate state') as existing, anything which does not exist. Three basic things about the intermediate state emerge from the parable: (a) Jesus recognizes that at the moment of death, in ipso articulo.

  2. Higher order antibunching in intermediate states

    International Nuclear Information System (INIS)

    Verma, Amit; Sharma, Navneet K.; Pathak, Anirban

    2008-01-01

    Since the introduction of binomial state as an intermediate state, different intermediate states have been proposed. Different nonclassical effects have also been reported in these intermediate states. But till now higher order antibunching is predicted in only one type of intermediate state, which is known as shadowed negative binomial state. Recently we have shown that the higher order antibunching is not a rare phenomenon [P. Gupta, P. Pandey, A. Pathak, J. Phys. B 39 (2006) 1137]. To establish our earlier claim further, here we have shown that the higher order antibunching can be seen in different intermediate states, such as binomial state, reciprocal binomial state, hypergeometric state, generalized binomial state, negative binomial state and photon added coherent state. We have studied the possibility of observing the higher order subpoissonian photon statistics in different limits of intermediate states. The effects of different control parameters on the depth of non classicality have also been studied in this connection and it has been shown that the depth of nonclassicality can be tuned by controlling various physical parameters

  3. Dynamics of Coupled Quantum Spin Chains

    International Nuclear Information System (INIS)

    Schulz, H.J.

    1996-01-01

    Static and dynamical properties of weakly coupled antiferromagnetic spin chains are treated using a mean-field approximation for the interchain coupling and exact results for the resulting effective one-dimensional problem. Results for staggered magnetization, Nacute eel temperature, and spin wave excitations are in agreement with experiments on KCuF 3 . The existence of a narrow longitudinal mode is predicted. The results are in agreement with general scaling arguments, contrary to spin wave theory. copyright 1996 The American Physical Society

  4. Synthesis of Formate Esters and Formamides Using an Au/TiO2-Catalyzed Aerobic Oxidative Coupling of Paraformaldehyde

    Directory of Open Access Journals (Sweden)

    Ioannis Metaxas

    2017-12-01

    Full Text Available A simple method for the synthesis of formate esters and formamides is presented based on the Au/TiO2-catalyzed aerobic oxidative coupling between alcohols or amines and formaldehyde. The suitable form of formaldehyde is paraformaldehyde, as cyclic trimeric 1,3,5-trioxane is inactive. The reaction proceeds via the formation of an intermediate hemiacetal or hemiaminal, respectively, followed by the Au nanoparticle-catalyzed aerobic oxidation of the intermediate. Typically, the oxidative coupling between formaldehyde (2 equiv and amines occurs quantitatively at room temperature within 4 h, and there is no need to add a base as in analogous coupling reactions. The oxidative coupling between formaldehyde (typically 3 equiv and alcohols is unprecedented and occurs more slowly, yet in good to excellent yields and selectivity. Minor side-products (2–12% from the acetalization of formaldehyde by the alcohol are also formed. The catalyst is recyclable and can be reused after a simple filtration in five consecutive runs with a small loss of activity.

  5. Enhanced Electron-Phonon Coupling at Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Plummer, Ward E.

    2010-08-04

    The Born-Oppenheimer approximation (BOA) decouples electronic from nuclear motion, providing a focal point for most quantum mechanics textbooks. However, a multitude of important chemical, physical and biological phenomena are driven by violations of this approximation. Vibronic interactions are a necessary ingredient in any process that makes or breaks a covalent bond, for example, conventional catalysis or enzymatically delivered biological reactions. Metastable phenomena associated with defects and dopants in semiconductors, oxides, and glasses entail violation of the BOA. Charge exchange in inorganic polymers, organic slats and biological systems involves charge- induced distortions of the local structure. A classic example is conventional superconductivity, which is driven by the electron-lattice interaction. High-resolution angle-resolved photoemission experiments are yielding new insight into the microscopic origin of electron-phonon coupling (EPC) in anisotropic two-dimensional systems. Our recent surface phonon measurement on the surface of a high-Tc material clearly indicates an important momentum dependent EPC in these materials. In the last few years we have shifted our research focus from solely looking at electron phonon coupling to examining the structure/functionality relationship at the surface of complex transition metal compounds. The investigation on electron phonon coupling has allowed us to move to systems where there is coupling between the lattice, the electrons and the spin.

  6. Description of a stable scheme for steady-state coupled Monte Carlo–thermal–hydraulic calculations

    International Nuclear Information System (INIS)

    Dufek, Jan; Eduard Hoogenboom, J.

    2014-01-01

    Highlights: • A stable coupling scheme for steady-state MC–TH calculations is described. • The coupling scheme is based on the stochastic approximation method. • The neutron flux (or power) distribution is relaxed using a variable step-size. - Abstract: We provide a detailed description of a numerically stable and efficient coupling scheme for steady-state Monte Carlo neutronic calculations with thermal–hydraulic feedback. While we have previously derived and published the stochastic approximation based method for coupling the Monte Carlo criticality and thermal–hydraulic calculations, its possible implementation has not been described in a step-by-step manner. As the simple description of the coupling scheme was repeatedly requested from us, we have decided to make it available via this note

  7. Coupling constants deduced for the resonances in kaon photo-production

    International Nuclear Information System (INIS)

    Cheoun, M. K.; Kim, K. S.; Choi, T. K.

    2004-01-01

    We deduced the coupling constants of nucleon and hyperon resonances, which participate in kaon productions as intermediate states that are formed by electro-magnetic probes and that finally decay into hadronic final states. We used an isobaric model based on an effective Lagrangian approach to describe the processes, in which relevant coupling constants regarding related resonances are effectively determined by fitting available experimental data. Our scheme to deduce the coupling constants was as follows: First, we calculated the lower and the upper limits on the coupling constants by using the experimental decay data available until now and/or theoretical predictions, such as those from quark models and SU(3) symmetry. Second, we exploited those limits as physical constraints on our fitting scheme for the kaon photo-production data. Finally, the deduced values and regions of the coupling constants, which satisfy not only the reaction data but also the decay data, are presented as figures with respect to the strong and the electro-magnetic coupling constants, and their multiplicative values. Our results for the coupling constants give physical values that are more restricted than those allowed by the experimental data nowadays.

  8. Design of an intermediate-scale experiment to validate unsaturated- zone transport models

    International Nuclear Information System (INIS)

    Siegel, M.D.; Hopkins, P.L.; Glass, R.J.; Ward, D.B.

    1991-01-01

    An intermediate-scale experiment is being carried out to evaluate instrumentation and models that might be used for transport-model validation for the Yucca Mountain Site Characterization Project. The experimental test bed is a 6-m high x 3-m diameter caisson filled with quartz sand with a sorbing layer at an intermediate depth. The experiment involves the detection and prediction of the migration of fluid and tracers through an unsaturated porous medium. Pre-test design requires estimation of physical properties of the porous medium such as the relative permeability, saturation/pressure relations, porosity, and saturated hydraulic conductivity as well as geochemical properties such as surface complexation constants and empircial K d 'S. The pre-test characterization data will be used as input to several computer codes to predict the fluid flow and tracer migration. These include a coupled chemical-reaction/transport model, a stochastic model, and a deterministic model using retardation factors. The calculations will be completed prior to elution of the tracers, providing a basis for validation by comparing the predictions to observed moisture and tracer behavior

  9. Direct determinations of the πNN coupling constants

    International Nuclear Information System (INIS)

    Ericson, T.E.O.; ); Loiseau, B.

    1998-01-01

    A novel extrapolation method has been used to deduce directly the charged πNN coupling constant from backward np differential scattering cross sections. The extracted value, g c 2 = 14.52(026)is higher than the indirectly deduced values obtained in nucleon-nucleon energy-dependent partial-wave analyses. Our preliminary direct value from a reanalysis of the GMO sum-rule points to an intermediate value of g c 2 about 13.97(30). (author)

  10. Can Single-Reference Coupled Cluster Theory Describe Static Correlation?

    Science.gov (United States)

    Bulik, Ireneusz W; Henderson, Thomas M; Scuseria, Gustavo E

    2015-07-14

    While restricted single-reference coupled cluster theory truncated to singles and doubles (CCSD) provides very accurate results for weakly correlated systems, it usually fails in the presence of static or strong correlation. This failure is generally attributed to the qualitative breakdown of the reference, and can accordingly be corrected by using a multideterminant reference, including higher-body cluster operators in the ansatz, or allowing symmetry breaking in the reference. None of these solutions are ideal; multireference coupled cluster is not black box, including higher-body cluster operators is computationally demanding, and allowing symmetry breaking leads to the loss of good quantum numbers. It has long been recognized that quasidegeneracies can instead be treated by modifying the coupled cluster ansatz. The recently introduced pair coupled cluster doubles (pCCD) approach is one such example which avoids catastrophic failures and accurately models strong correlations in a symmetry-adapted framework. Here, we generalize pCCD to a singlet-paired coupled cluster model (CCD0) intermediate between coupled cluster doubles and pCCD, yielding a method that possesses the invariances of the former and much of the stability of the latter. Moreover, CCD0 retains the full structure of coupled cluster theory, including a fermionic wave function, antisymmetric cluster amplitudes, and well-defined response equations and density matrices.

  11. Behaviour of coupling constants at high temperature in supersymmetric theories

    International Nuclear Information System (INIS)

    Swee Ping Chia.

    1986-04-01

    An analysis is presented of the temperature dependence of the coupling constants using the improved one-loop approximation in the Wess-Zumino model and the supersymmetric O(N) model. It is found that all the coupling constants, both bosonic (Φ 4 type) and Yukawa, approach constant nonzero values as T→∞. The asymptotic values of the bosonic couplings are slightly smaller than the corresponding zero-temperature values, and those of the Yukawa couplings are the same as the zero-temperature values. (author)

  12. [Therapy of intermediate uveitis].

    Science.gov (United States)

    Doycheva, D; Deuter, C; Zierhut, M

    2014-12-01

    Intermediate uveitis is a form of intraocular inflammation in which the vitreous body is the major site of inflammation. Intermediate uveitis is primarily treated medicinally and systemic corticosteroids are the mainstay of therapy. When recurrence of uveitis or side effects occur during corticosteroid therapy an immunosuppressive treatment is required. Cyclosporine A is the only immunosuppressive agent that is approved for therapy of uveitis in Germany; however, other immunosuppressive drugs have also been shown to be effective and well-tolerated in patients with intermediate uveitis. In severe therapy-refractory cases when conventional immunosuppressive therapy has failed, biologics can be used. In patients with unilateral uveitis or when the systemic therapy is contraindicated because of side effects, an intravitreal steroid treatment can be carried out. In certain cases a vitrectomy may be used.

  13. Surface preparation and coupling in plastic scintillator dosimetry

    International Nuclear Information System (INIS)

    Ayotte, Guylaine; Archambault, Louis; Gingras, Luc; Lacroix, Frederic; Beddar, A. Sam; Beaulieu, Luc

    2006-01-01

    One way to improve the performance of scintillation dosimeters is to increase the light-collection efficiency at the coupling interfaces of the detector system. We performed a detailed study of surface preparation of scintillating fibers and their coupling with clear optical fibers to minimize light loss and increase the amount of light collected. We analyzed fiber-surface polishing with aluminum oxide sheets, coating fibers with magnesium oxide, and the use of eight different coupling agents (air, three optical gels, an optical curing agent, ultraviolet light, cyanoacrylate glue, and acetone). We prepared 10 scintillating fiber and clear optical fiber light guide samples to test different coupling methods. To test the coupling, we first cut both the scintillating fiber and the clear optical fiber. Then, we cleaned and polished both ends of both fibers. Finally, we coupled the scintillating fiber with the clear optical fiber in either a polyethylene jacket or a V-grooved support depending on the coupling agent used. To produce more light, we used an ultraviolet lamp to stimulate scintillation. A typical series of similar couplings showed a standard deviation in light-collection efficiency of 10%. This can be explained by differences in the surface preparation quality and alignment of the scintillating fiber with the clear optical fiber. Absence of surface polishing reduced the light collection by approximately 40%, and application of magnesium oxide on the proximal end of the scintillating fiber increased the amount of light collected from the optical fiber by approximately 39%. Of the coupling agents, we obtained the best results using one of the optical gels. Because a large amount of the light produced inside a scintillator is usually lost, better light-collection efficiency will result in improved sensitivity

  14. Instantons and magnetization tunneling: Beyond the giant-spin approximation

    International Nuclear Information System (INIS)

    Florez, J.M.; Vargas, P.; Nunez, Alvaro S.

    2009-01-01

    In this work we show that commonly neglected fluctuations of the net total spin of a molecular nanomagnet strongly modified its tunneling properties and provide a scenario to explain some discrepancies between theory and experiment. Starting off from an effective spin Hamiltonian, we study the quantum tunneling of the magnetization of molecular nanomagnets in the regime where the giant-spin approximation is breaking down. This study is done using an instanton description of the tunneling path. The instanton is calculated considering its coupling to quantum fluctuations.

  15. Solving Nonlinear Coupled Differential Equations

    Science.gov (United States)

    Mitchell, L.; David, J.

    1986-01-01

    Harmonic balance method developed to obtain approximate steady-state solutions for nonlinear coupled ordinary differential equations. Method usable with transfer matrices commonly used to analyze shaft systems. Solution to nonlinear equation, with periodic forcing function represented as sum of series similar to Fourier series but with form of terms suggested by equation itself.

  16. Coupled Cluster Theory for Large Molecules

    DEFF Research Database (Denmark)

    Baudin, Pablo

    This thesis describes the development of local approximations to coupled cluster (CC) theory for large molecules. Two different methods are presented, the divide–expand–consolidate scheme (DEC), for the calculation of ground state energies, and a local framework denoted LoFEx, for the calculation...

  17. Effect of Intermediate Hosts on Emerging Zoonoses.

    Science.gov (United States)

    Cui, Jing-An; Chen, Fangyuan; Fan, Shengjie

    2017-08-01

    Most emerging zoonotic pathogens originate from animals. They can directly infect humans through natural reservoirs or indirectly through intermediate hosts. As a bridge, an intermediate host plays different roles in the transmission of zoonotic pathogens. In this study, we present three types of pathogen transmission to evaluate the effect of intermediate hosts on emerging zoonotic diseases in human epidemics. These types are identified as follows: TYPE 1, pathogen transmission without an intermediate host for comparison; TYPE 2, pathogen transmission with an intermediate host as an amplifier; and TYPE 3, pathogen transmission with an intermediate host as a vessel for genetic variation. In addition, we established three mathematical models to elucidate the mechanisms underlying zoonotic disease transmission according to these three types. Stability analysis indicated that the existence of intermediate hosts increased the difficulty of controlling zoonotic diseases because of more difficult conditions to satisfy for the disease to die out. The human epidemic would die out under the following conditions: TYPE 1: [Formula: see text] and [Formula: see text]; TYPE 2: [Formula: see text], [Formula: see text], and [Formula: see text]; and TYPE 3: [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text] Simulation with similar parameters demonstrated that intermediate hosts could change the peak time and number of infected humans during a human epidemic; intermediate hosts also exerted different effects on controlling the prevalence of a human epidemic with natural reservoirs in different periods, which is important in addressing problems in public health. Monitoring and controlling the number of natural reservoirs and intermediate hosts at the right time would successfully manage and prevent the prevalence of emerging zoonoses in humans.

  18. Java-Based Coupling for Parallel Predictive-Adaptive Domain Decomposition

    Directory of Open Access Journals (Sweden)

    Cécile Germain‐Renaud

    1999-01-01

    Full Text Available Adaptive domain decomposition exemplifies the problem of integrating heterogeneous software components with intermediate coupling granularity. This paper describes an experiment where a data‐parallel (HPF client interfaces with a sequential computation server through Java. We show that seamless integration of data‐parallelism is possible, but requires most of the tools from the Java palette: Java Native Interface (JNI, Remote Method Invocation (RMI, callbacks and threads.

  19. Phase diagram of the Blume-Emery-Griffiths model on the simple cubic lattice calculated by the linear chain approximation

    International Nuclear Information System (INIS)

    Albayrak, Erhan; Keskin, Mustafa

    2000-01-01

    The linear chain approximation is used to study the temperature dependence of the order parameters and the phase diagrams of the Blume-Emery-Griffiths model on the simple cubic lattice with dipole-dipole, quadrupole-quadrupole coupling strengths and a crystal-field interaction. The problem is approached introducing first a trial one-dimensional Hamiltonian whose free energy can be calculated exactly by the transfer matrix method. Then using the Bogoliubov variational principle, the free energy of the model is determined. It is assumed that the dipolar and quadrupolar intrachain coupling constants are much stronger than the corresponding interchain constants and confined the attention to the case of nearest-neighbor interactions. The phase transitions are examined and the phase diagrams are obtained for several values of the coupling strengths in the three different planes. A comparison with other approximate techniques is also made

  20. Phase diagram of the Blume-Emery-Griffiths model on the simple cubic lattice calculated by the linear chain approximation

    CERN Document Server

    Albayrak, E

    2000-01-01

    The linear chain approximation is used to study the temperature dependence of the order parameters and the phase diagrams of the Blume-Emery-Griffiths model on the simple cubic lattice with dipole-dipole, quadrupole-quadrupole coupling strengths and a crystal-field interaction. The problem is approached introducing first a trial one-dimensional Hamiltonian whose free energy can be calculated exactly by the transfer matrix method. Then using the Bogoliubov variational principle, the free energy of the model is determined. It is assumed that the dipolar and quadrupolar intrachain coupling constants are much stronger than the corresponding interchain constants and confined the attention to the case of nearest-neighbor interactions. The phase transitions are examined and the phase diagrams are obtained for several values of the coupling strengths in the three different planes. A comparison with other approximate techniques is also made.

  1. Intermediate structure and threshold phenomena

    International Nuclear Information System (INIS)

    Hategan, Cornel

    2004-01-01

    The Intermediate Structure, evidenced through microstructures of the neutron strength function, is reflected in open reaction channels as fluctuations in excitation function of nuclear threshold effects. The intermediate state supporting both neutron strength function and nuclear threshold effect is a micro-giant neutron threshold state. (author)

  2. Mechanistic Implications for the Ni(I-Catalyzed Kumada Cross-Coupling Reaction

    Directory of Open Access Journals (Sweden)

    Linda Iffland

    2017-11-01

    Full Text Available Herein we report on the cross-coupling reaction of phenylmagnesium bromide with aryl halides using the well-defined tetrahedral Ni(I complex, [(TriphosNiICl] (Triphos = 1,1,1-tris(diphenylphosphinomethylethane. In the presence of 0.5 mol % [(TriphosNiICl], good to excellent yields (75–97% of the respective coupling products within a reaction time of only 2.5 h at room temperature were achieved. Likewise, the tripodal Ni(IIcomplexes [(κ2-TriphosNiIICl2] and [(κ3-TriphosNiIICl](X (X = ClO4, BF4 were tested as potential pre-catalysts for the Kumada cross-coupling reaction. While the Ni(II complexes also afford the coupling products in comparable yields, mechanistic investigations by UV/Vis and electron paramagnetic resonance (EPR spectroscopy indicate a Ni(I intermediate as the catalytically active species in the Kumada cross-coupling reaction. Based on experimental findings and density functional theory (DFT calculations, a plausible Ni(I-catalyzed reaction mechanism for the Kumada cross-coupling reaction is presented.

  3. Intermediate algebra & analytic geometry

    CERN Document Server

    Gondin, William R

    1967-01-01

    Intermediate Algebra & Analytic Geometry Made Simple focuses on the principles, processes, calculations, and methodologies involved in intermediate algebra and analytic geometry. The publication first offers information on linear equations in two unknowns and variables, functions, and graphs. Discussions focus on graphic interpretations, explicit and implicit functions, first quadrant graphs, variables and functions, determinate and indeterminate systems, independent and dependent equations, and defective and redundant systems. The text then examines quadratic equations in one variable, system

  4. A General Strategy for Nanohybrids Synthesis via Coupled Competitive Reactions Controlled in a Hybrid Process

    OpenAIRE

    Wang, Rongming; Yang, Wantai; Song, Yuanjun; Shen, Xiaomiao; Wang, Junmei; Zhong, Xiaodi; Li, Shuai; Song, Yujun

    2015-01-01

    A new methodology based on core alloying and shell gradient-doping are developed for the synthesis of nanohybrids, realized by coupled competitive reactions, or sequenced reducing-nucleation and co-precipitation reaction of mixed metal salts in a microfluidic and batch-cooling process. The latent time of nucleation and the growth of nanohybrids can be well controlled due to the formation of controllable intermediates in the coupled competitive reactions. Thus, spatiotemporal-resolved synthesi...

  5. Angular momentum coupling in atom-atom collisions

    International Nuclear Information System (INIS)

    Grosser, J.

    1986-01-01

    The coupling between the electronic angular momentum and the rotating atom-atom axis in the initial or the final phase of an atom-atom collision is discussed, making use of the concepts of radial and rotational (Coriolis) coupling between different molecular states. The description is based on a limited number of well-understood approximations, and it allows an illustrative geometric representation of the transition from the body fixed to the space fixed motion of the electrons. (orig.)

  6. Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics

    Science.gov (United States)

    Wang, Yu; Chou, Chia-Chun

    2018-05-01

    The coupled complex quantum Hamilton-Jacobi equations for electronic nonadiabatic transitions are approximately solved by propagating individual quantum trajectories in real space. Equations of motion are derived through use of the derivative propagation method for the complex actions and their spatial derivatives for wave packets moving on each of the coupled electronic potential surfaces. These equations for two surfaces are converted into the moving frame with the same grid point velocities. Excellent wave functions can be obtained by making use of the superposition principle even when nodes develop in wave packet scattering.

  7. An asymptotically consistent approximant for the equatorial bending angle of light due to Kerr black holes

    International Nuclear Information System (INIS)

    Barlow, Nathaniel S; Faber, Joshua A; Weinstein, Steven J

    2017-01-01

    An accurate closed-form expression is provided to predict the bending angle of light as a function of impact parameter for equatorial orbits around Kerr black holes of arbitrary spin. This expression is constructed by assuring that the weak- and strong-deflection limits are explicitly satisfied while maintaining accuracy at intermediate values of impact parameter via the method of asymptotic approximants (Barlow et al 2017 Q. J. Mech. Appl. Math . 70 21–48). To this end, the strong deflection limit for a prograde orbit around an extremal black hole is examined, and the full non-vanishing asymptotic behavior is determined. The derived approximant may be an attractive alternative to computationally expensive elliptical integrals used in black hole simulations. (paper)

  8. Modeling bidirectionally coupled single-mode semiconductor lasers

    International Nuclear Information System (INIS)

    Mulet, Josep; Masoller, Cristina; Mirasso, Claudio R.

    2002-01-01

    We develop a dynamical model suitable for the description of two mutually coupled semiconductor lasers in a face-to-face configuration. Our study considers the propagation of the electric field along the compound system as well as the evolution of the carrier densities within each semiconductor laser. Mutual injection, passive optical feedback, and multiple reflections are accounted for in this framework, although under weak to moderate coupling conditions. We systematically describe the effect of the coupling strength on the spectrum of monochromatic solutions and on the respective dynamical behavior. By assuming single-longitudinal-mode operation, weak mutual coupling and slowly varying approximation, the dynamical model can be reduced to rate equations describing the mutual injection from one laser to its counterpart and vice versa. A good agreement between the complete and simplified models is found for small coupling. For larger coupling, higher-order terms lead to a smaller threshold reduction, reflected itself in the spectrum of the monochromatic solutions and in the dynamics of the optical power

  9. Optoelectronic properties of XIn{sub 2}S{sub 4} (X = Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations

    Energy Technology Data Exchange (ETDEWEB)

    Yousaf, Masood [Department of Physics, Ulsan National Institute of Science and Technology, Ulsan 689-798 (Korea, Republic of); Physics Department, Faculty of Science, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Dalhatu, S.A. [Physics Department, Faculty of Science, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Murtaza, G. [Department of Physics, Islamia College, Peshawar, KPK (Pakistan); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara (Algeria); Sajjad, M. [School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Musa, A. [Physics Department, Faculty of Science, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Rahnamaye Aliabad, H.A. [Department of Physics, Hakim Sabzevari University (Iran, Islamic Republic of); Saeed, M.A., E-mail: saeed@utm.my [Physics Department, Faculty of Science, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia)

    2015-03-15

    Highlights: • Highly accurate all-electron FP-LAPW+lo method is used. • New physical parameters are reported, important for the fabrication of optoelectronic devices. • A comparative study that involves FP-LAPW+lo method and modified approximations. • Computed band gap values have good agreement with the experimental values. • Optoelectronic results of fundamental importance can be utilized for the fabrication of devices. - Abstract: We report the structural, electronic and optical properties of the thiospinels XIn{sub 2}S{sub 4} (X = Cd, Mg), using highly accurate all-electron full potential linearized augmented plane wave plus local orbital method. In order to calculate the exchange and correlation energies, the method is coupled with modified techniques such as GGA+U and mBJ-GGA, which yield improved results as compared to the previous studies. GGA+SOC approximation is also used for the first time on these compounds to examine the spin orbit coupling effect on the band structure. From the analysis of the structural parameters, robust character is predicted for both materials. Energy band structures profiles are fairly the same for GGA, GGA+SOC, GGA+U and mBJ-GGA, confirming the indirect and direct band gap nature of CdIn{sub 2}S{sub 4} and MgIn{sub 2}S{sub 4} materials, respectively. We report the trend of band gap results as: (mBJ-GGA) > (GGA+U) > (GGA) > (GGA+SOC). Localized regions appearing in the valence bands for CdIn{sub 2}S{sub 4} tend to split up nearly by ≈1 eV in the case of GGA+SOC. Many new physical parameters are reported that can be important for the fabrication of optoelectronic devices. Optical spectra namely, dielectric function (DF), refractive index n(ω), extinction coefficient k(ω), reflectivity R(ω), optical conductivity σ(ω), absorption coefficient α(ω) and electron loss function are discussed. Optical’s absorption edge is noted to be 1.401 and 1.782 for CdIn{sub 2}S{sub 4} and MgIn{sub 2}S{sub 4}, respectively. The

  10. Palladium-Catalyzed Cross-Coupling Reactions of Perfluoro Organic Compounds

    Directory of Open Access Journals (Sweden)

    Masato Ohashi

    2014-09-01

    Full Text Available In this review, we summarize our recent development of palladium(0-catalyzed cross-coupling reactions of perfluoro organic compounds with organometallic reagents. The oxidative addition of a C–F bond of tetrafluoroethylene (TFE to palladium(0 was promoted by the addition of lithium iodide, affording a trifluorovinyl palladium(II iodide. Based on this finding, the first palladium-catalyzed cross-coupling reaction of TFE with diarylzinc was developed in the presence of lithium iodide, affording α,β,β-trifluorostyrene derivatives in excellent yield. This coupling reaction was expanded to the novel Pd(0/PR3-catalyzed cross-coupling reaction of TFE with arylboronates. In this reaction, the trifluorovinyl palladium(II fluoride was a key reaction intermediate that required neither an extraneous base to enhance the reactivity of organoboronates nor a Lewis acid additive to promote the oxidative addition of a C–F bond. In addition, our strategy utilizing the synergetic effect of Pd(0 and lithium iodide could be applied to the C–F bond cleavage of unreactive hexafluorobenzene (C6F6, leading to the first Pd(0-catalyzed cross-coupling reaction of C6F6 with diarylzinc compounds.

  11. Regularities of intermediate adsorption complex relaxation

    International Nuclear Information System (INIS)

    Manukova, L.A.

    1982-01-01

    The experimental data, characterizing the regularities of intermediate adsorption complex relaxation in the polycrystalline Mo-N 2 system at 77 K are given. The method of molecular beam has been used in the investigation. The analytical expressions of change regularity in the relaxation process of full and specific rates - of transition from intermediate state into ''non-reversible'', of desorption into the gas phase and accumUlation of the particles in the intermediate state are obtained

  12. FINANCIAL INTERMEDIATION, ENTREPRENEURSHIP AND ECONOMIC GROWTH

    OpenAIRE

    Wenli Cheng

    2007-01-01

    This paper presents a simple general equilibrium model of financial intermediation, entrepreneurship and economic growth. In this model, the role of financial intermediation is to pool savings and to lend the pooled funds to an entrepreneur, who in turn invests the funds in a new production technology. The adoption of the new production technology improves individual real income. Thus financial intermediation promotes economic growth through affecting individuals’ saving behaviour and enabl...

  13. Some Intermediate-Level Violin Concertos.

    Science.gov (United States)

    Abramson, Michael

    1997-01-01

    Contends that many violin students attempt difficult concertos before they are technically or musically prepared. Identifies a variety of concertos at the intermediate and advanced intermediate-level for students to study and master before attempting the advanced works by Bach and Mozart. Includes concertos by Vivaldi, Leclair, Viotti, Haydn,…

  14. Kinetic intermediates en route to the final serpin-protease complex: studies of complexes of α1-protease inhibitor with trypsin.

    Science.gov (United States)

    Maddur, Ashoka A; Swanson, Richard; Izaguirre, Gonzalo; Gettins, Peter G W; Olson, Steven T

    2013-11-01

    Serpin protein protease inhibitors inactivate their target proteases through a unique mechanism in which a major serpin conformational change, resulting in a 70-Å translocation of the protease from its initial reactive center loop docking site to the opposite pole of the serpin, kinetically traps the acyl-intermediate complex. Although the initial Michaelis and final trapped acyl-intermediate complexes have been well characterized structurally, the intermediate stages involved in this remarkable transformation are not well understood. To better characterize such intermediate steps, we undertook rapid kinetic studies of the FRET and fluorescence perturbation changes of site-specific fluorophore-labeled derivatives of the serpin, α1-protease inhibitor (α1PI), which report the serpin and protease conformational changes involved in transforming the Michaelis complex to the trapped acyl-intermediate complex in reactions with trypsin. Two kinetically resolvable conformational changes were observed in the reactions, ascribable to (i) serpin reactive center loop insertion into sheet A with full protease translocation but incomplete protease distortion followed by, (ii) full conformational distortion and movement of the protease and coupled serpin conformational changes involving the F helix-sheet A interface. Kinetic studies of calcium effects on the labeled α1PI-trypsin reactions demonstrated both inactive and low activity states of the distorted protease in the final complex that were distinct from the intermediate distorted state. These studies provide new insights into the nature of the serpin and protease conformational changes involved in trapping the acyl-intermediate complex in serpin-protease reactions and support a previously proposed role for helix F in the trapping mechanism.

  15. Calculations of the properties of superconducting alloys via the average T-matrix approximation

    International Nuclear Information System (INIS)

    Chatterjee, P.

    1980-01-01

    The theoretical formula of McMillan, modified via the multiple-scattering theory by Gomersall and Gyorffy, has been very successful in computing the electron-phonon coupling constant (lambda) and the transition temperature (Tsub(c)) of many superconducting elements and compounds. For disordered solids, such as substitutional alloys, however, this theory fails because of the breakdown of the translational symmetry used in the multiple-scattering theory. Under these conditions the problem can still be solved if the t-matrix is averaged in the random phase approximation (average T-matrix approximation). Gomersall and Gyorffy's expression is reformulated for lambda in the random phase approximation. This theory is applied to calculate lambda and Tsub(c) of the binary substitutional NbMo alloy system at different concentrations. The results appear to be in fair agreement with experiments. (author)

  16. Critical features of coupling parameter in synchronization of small world neural networks

    International Nuclear Information System (INIS)

    Li Yanlong; Ma Jun; Xu Wenke; Li Hongbo; Wu Min

    2008-01-01

    The critical features of a coupling parameter in the synchronization of small world neural networks are investigated. A power law decay form is observed in this spatially extended system, the larger linked degree becomes, the larger critical coupling intensity. There exists maximal and minimal critical coupling intensity for synchronization in the extended system. An approximate synchronization diagram has been constructed. In the case of partial coupling, a primary result is presented about the critical coupling fraction for various linked degree of networks

  17. Formulation and application of optimal homotopty asymptotic method to coupled differential-difference equations.

    Science.gov (United States)

    Ullah, Hakeem; Islam, Saeed; Khan, Ilyas; Shafie, Sharidan; Fiza, Mehreen

    2015-01-01

    In this paper we applied a new analytic approximate technique Optimal Homotopy Asymptotic Method (OHAM) for treatment of coupled differential-difference equations (DDEs). To see the efficiency and reliability of the method, we consider Relativistic Toda coupled nonlinear differential-difference equation. It provides us a convenient way to control the convergence of approximate solutions when it is compared with other methods of solution found in the literature. The obtained solutions show that OHAM is effective, simpler, easier and explicit.

  18. Methyl Radicals in Oxidative Coupling of Methane Directly Confirmed by Synchrotron VUV Photoionization Mass Spectroscopy

    Science.gov (United States)

    Luo, Liangfeng; Tang, Xiaofeng; Wang, Wendong; Wang, Yu; Sun, Shaobo; Qi, Fei; Huang, Weixin

    2013-01-01

    Gas-phase methyl radicals have been long proposed as the key intermediate in catalytic oxidative coupling of methane, but the direct experimental evidence still lacks. Here, employing synchrotron VUV photoionization mass spectroscopy, we have directly observed the formation of gas-phase methyl radicals during oxidative coupling of methane catalyzed by Li/MgO catalysts. The concentration of gas-phase methyl radicals correlates well with the yield of ethylene and ethane products. These results lead to an enhanced fundamental understanding of oxidative coupling of methane that will facilitate the exploration of new catalysts with improved performance. PMID:23567985

  19. Welding. Performance Objectives. Intermediate Course.

    Science.gov (United States)

    Vincent, Kenneth

    Several intermediate performance objectives and corresponding criterion measures are listed for each of nine terminal objectives for an intermediate welding course. The materials were developed for a 36-week (3 hours daily) course designed to prepare the student for employment in the field of welding. Electric welding and specialized (TIG & MIG)…

  20. Density matrix of strongly coupled quantum dot - microcavity system

    International Nuclear Information System (INIS)

    Nguyen Van Hop

    2009-01-01

    Any two-level quantum system can be used as a quantum bit (qubit) - the basic element of all devices and systems for quantum information and quantum computation. Recently it was proposed to study the strongly coupled system consisting of a two-level quantum dot and a monoenergetic photon gas in a microcavity-the strongly coupled quantum dot-microcavity (QD-MC) system for short, with the Jaynes-Cumming total Hamiltonian, for the application in the quantum information processing. Different approximations were applied in the theoretical study of this system. In this work, on the basis of the exact solution of the Schrodinger equation for this system without dissipation we derive the exact formulae for its density matrix. The realization of a qubit in this system is discussed. The solution of the system of rate equation for the strongly coupled QD-MC system in the presence of the interaction with the environment was also established in the first order approximation with respect to this interaction.

  1. Dilepton spectrum from quark-gluon plasma in second Born approximation

    International Nuclear Information System (INIS)

    Makhlin, A.N.

    1989-01-01

    The real time temperature Keldysh technique has been used to calculate the rate of dilepton emission from quark-gluon plasma in the first order with respect to strong coupling constant. This approximation us shown to be inconsistent. The radiative corrections turned to be of the same order as the contribution of real processes with gluons. Nevertheless the general properties inherent in dilepton emission from continuous media can be verified by measuring the lepton distribution inside the dilepton. 11 refs.; 2 figs

  2. Intermediate valence spectroscopy

    International Nuclear Information System (INIS)

    Gunnarsson, O.; Schoenhammer, K.

    1987-01-01

    Spectroscopic properties of intermediate valence compounds are studied using the Anderson model. Due to the large orbital and spin degeneracy N/sub f/ of the 4f-level, 1/N/sub f/ can be treated as a small parameter. This approach provides exact T = 0 results for the Anderson impurity model in the limit N/sub f/ → ∞, and by adding 1/N/sub f/ corrections some properties can be calculated accurately even for N/sub f/ = 1 or 2. In particular valence photoemission and resonance photoemission spectroscopies are studied. A comparison of theoretical and experimental spectra provides an estimate of the parameters in the model. Core level photoemission spectra provide estimates of the coupling between the f-level and the conduction states and of the f-level occupancy. With these parameters the model gives a fair description of other electron spectroscopies. For typical parameters the model predicts two structures in the f-spectrum, namely one structure at the f-level and one at the Fermi energy. The resonance photoemission calculation gives a photon energy dependence for these two peaks in fair agreement with experiment. The peak at the Fermi energy is partly due to a narrow Kondo resonance, resulting from many-body effects and the presence of a continuous, partly filled conduction band. This resonance is related to a large density of low-lying excitations, which explains the large susceptibility and specific heat observed for these systems at low temperatures. 38 references, 11 figures, 2 tables

  3. Optimizing phonon space in the phonon-coupling model

    Science.gov (United States)

    Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

    2017-08-01

    We present a new scheme to select the most relevant phonons in the phonon-coupling model, named here the time-blocking approximation (TBA). The new criterion, based on the phonon-nucleon coupling strengths rather than on B (E L ) values, is more selective and thus produces much smaller phonon spaces in the TBA. This is beneficial in two respects: first, it curbs the computational cost, and second, it reduces the danger of double counting in the expansion basis of the TBA. We use here the TBA in a form where the coupling strength is regularized to keep the given Hartree-Fock ground state stable. The scheme is implemented in a random-phase approximation and TBA code based on the Skyrme energy functional. We first explore carefully the cutoff dependence with the new criterion and can work out a natural (optimal) cutoff parameter. Then we use the freshly developed and tested scheme for a survey of giant resonances and low-lying collective states in six doubly magic nuclei looking also at the dependence of the results when varying the Skyrme parametrization.

  4. Money distribution with intermediation

    OpenAIRE

    Teles, Caio Augusto Colnago

    2013-01-01

    This pap er analyzes the distribution of money holdings in a commo dity money search-based mo del with intermediation. Intro ducing heterogeneity of costs to the Kiyotaki e Wright ( 1989 ) mo del, Cavalcanti e Puzzello ( 2010) gives rise to a non-degenerated distribution of money. We extend further this mo del intro ducing intermediation in the trading pro cess. We show that the distribution of money matters for savings decisions. This gives rises to a xed p oint problem for the ...

  5. Asymptotic dependence of Gross–Tulub polaron ground-state energy in the strong coupling region

    Directory of Open Access Journals (Sweden)

    N.I. Kashirina

    2017-12-01

    Full Text Available The properties of translationally invariant polaron functional have been investigated in the region of strong and extremely strong coupling. It has been shown that the Gross–Tulub polaron functional obtained earlier using the methods of field theory was derived only for the region , where is the Fröhlich constant of the electron-phonon coupling. Various representations of exact and approximate polaron functionals have been considered. Asymptotic dependences of the polaron energy have been obtained using a functional extending the Gross–Tulub functional to the region of extremely strong coupling. The asymptotic dependence of polaron energies for an extremely strong coupling are (for the one-parameter variational function fk, and (for a two-parameter function . It has been shown that the virial theorem 1:3:4 holds for the two-parameter function . Minimization of the approximate functional obtained by expanding the exact Gross–Tulub functional in a series on leads to a quadratic dependence of the polaron energy. This approximation is justified for . For a two-parameter function , the corresponding dependence has the form . However, the use of approximate functionals, in contrast to the strict variational procedure, when the exact polaron functional varies, does not guarantee obtaining the upper limit for the polaron energy.

  6. Quantum close coupling calculation of transport and relaxation properties for Hg-H{sub 2} system

    Energy Technology Data Exchange (ETDEWEB)

    Nemati-Kande, Ebrahim; Maghari, Ali, E-mail: maghari@ut.ac.ir

    2016-11-10

    Highlights: • Several relaxation cross sections are calculated for Hg-H{sub 2} van der Waals complex. • These cross sections are calculated from exact close-coupling method. • Energy-dependent SBE cross sections are calculated for ortho- and para-H{sub 2} + Hg systems. • Viscosity and diffusion coefficients are calculated using Mason-Monchick approximation. • The results obtained by Mason-Monchick approximation are compared to the exact close-coupling results. - Abstract: Quantum mechanical close coupling calculation of the state-to-state transport and relaxation cross sections have been done for Hg-H{sub 2} molecular system using a high-level ab initio potential energy surface. Rotationally averaged cross sections were also calculated to obtain the energy dependent Senftleben-Beenakker cross sections at the energy range of 0.005–25,000 cm{sup −1}. Boltzmann averaging of the energy dependent Senftleben-Beenakker cross sections showed the temperature dependency over a wide temperature range of 50–2500 K. Interaction viscosity and diffusion coefficients were also calculated using close coupling cross sections and full classical Mason-Monchick approximation. The results were compared with each other and with the available experimental data. It was found that Mason-Monchick approximation for viscosity is more reliable than diffusion coefficient. Furthermore, from the comparison of the experimental diffusion coefficients with the result of the close coupling and Mason-Monchick approximation, it was found that the Hg-H{sub 2} potential energy surface used in this work can reliably predict diffusion coefficient data.

  7. Tunneling of a coupled system

    International Nuclear Information System (INIS)

    Avishai, Y.

    1985-01-01

    We consider tunneling through a potential barrier V(x) in the presence of a coupling term W(x,y). Let H(y) be the internal Hamiltonian associated with the coordinate y and let E 0 (x) be the ground state energy of the operator H(x;y) = H(y) + W(x,y) in which x is a parameter. Our result for the tunneling probability (in the WKB approximation) is P = exp(2i ∫ k 0 (x)dx) where, at energy E, k 0 (x) = [E-E 0 (x)-V(x)]sup(1/2)/(h/2π) is the local wave number in the presence of coupling. (orig.)

  8. Unsteady interfacial coupling of two-phase flow models

    International Nuclear Information System (INIS)

    Hurisse, O.

    2006-01-01

    The primary coolant circuit in a nuclear power plant contains several distinct components (vessel, core, pipes,...). For all components, specific codes based on the discretization of partial differential equations have already been developed. In order to obtain simulations for the whole circuit, the interfacial coupling of these codes is required. The approach examined within this work consists in coupling codes by providing unsteady information through the coupling interface. The numerical technique relies on the use of an interface model, which is combined with the basic strategy that was introduced by Greenberg and Leroux in order to compute approximations of steady solutions of non-homogeneous hyperbolic systems. Three different coupling cases have been examined: (i) the coupling of a one-dimensional Euler system with a two-dimensional Euler system; (ii) the coupling of two distinct homogeneous two-phase flow models; (iii) the coupling of a four-equation homogeneous model with the standard two-fluid model. (author)

  9. Mean field dynamics of networks of delay-coupled noisy excitable units

    Energy Technology Data Exchange (ETDEWEB)

    Franović, Igor, E-mail: franovic@ipb.ac.rs [Scientific Computing Laboratory, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Todorović, Kristina; Burić, Nikola [Department of Physics and Mathematics, Faculty of Pharmacy, University of Belgrade, Vojvode Stepe 450, Belgrade (Serbia); Vasović, Nebojša [Department of Applied Mathematics, Faculty of Mining and Geology, University of Belgrade, PO Box 162, Belgrade (Serbia)

    2016-06-08

    We use the mean-field approach to analyze the collective dynamics in macroscopic networks of stochastic Fitzhugh-Nagumo units with delayed couplings. The conditions for validity of the two main approximations behind the model, called the Gaussian approximation and the Quasi-independence approximation, are examined. It is shown that the dynamics of the mean-field model may indicate in a self-consistent fashion the parameter domains where the Quasi-independence approximation fails. Apart from a network of globally coupled units, we also consider the paradigmatic setup of two interacting assemblies to demonstrate how our framework may be extended to hierarchical and modular networks. In both cases, the mean-field model can be used to qualitatively analyze the stability of the system, as well as the scenarios for the onset and the suppression of the collective mode. In quantitative terms, the mean-field model is capable of predicting the average oscillation frequency corresponding to the global variables of the exact system.

  10. Search for intermediate vector bosons

    International Nuclear Information System (INIS)

    Klajn, D.B.; Rubbia, K.; Meer, S.

    1983-01-01

    Problem of registration and search for intermediate vector bosons is discussed. According to weak-current theory there are three intermediate vector bosons with +1(W + )-1(W - ) and zero (Z 0 ) electric charges. It was suggested to conduct the investigation into particles in 1976 by cline, Rubbia and Makintair using proton-antiproton beams. Major difficulties of the experiment are related to the necessity of formation of sufficient amount of antiparticles and the method of antiproton beam ''cooling'' for the purpose of reduction of its random movements. The stochastic method was suggested by van der Meer in 1968 as one of possible cooling methods. Several large detectors were designed for searching intermediate vector bosons

  11. Field-theoretic methods in strongly-coupled models of general gauge mediation

    International Nuclear Information System (INIS)

    Fortin, Jean-François; Stergiou, Andreas

    2013-01-01

    An often-exploited feature of the operator product expansion (OPE) is that it incorporates a splitting of ultraviolet and infrared physics. In this paper we use this feature of the OPE to perform simple, approximate computations of soft masses in gauge-mediated supersymmetry breaking. The approximation amounts to truncating the OPEs for hidden-sector current–current operator products. Our method yields visible-sector superpartner spectra in terms of vacuum expectation values of a few hidden-sector IR elementary fields. We manage to obtain reasonable approximations to soft masses, even when the hidden sector is strongly coupled. We demonstrate our techniques in several examples, including a new framework where supersymmetry breaking arises both from a hidden sector and dynamically. Our results suggest that strongly-coupled models of supersymmetry breaking are naturally split

  12. Bond selective chemistry beyond the adiabatic approximation

    Energy Technology Data Exchange (ETDEWEB)

    Butler, L.J. [Univ. of Chicago, IL (United States)

    1993-12-01

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  13. Validation of intermediate end points in cancer research.

    Science.gov (United States)

    Schatzkin, A; Freedman, L S; Schiffman, M H; Dawsey, S M

    1990-11-21

    Investigations using intermediate end points as cancer surrogates are quicker, smaller, and less expensive than studies that use malignancy as the end point. We present a strategy for determining whether a given biomarker is a valid intermediate end point between an exposure and incidence of cancer. Candidate intermediate end points may be selected from case series, ecologic studies, and animal experiments. Prospective cohort and sometimes case-control studies may be used to quantify the intermediate end point-cancer association. The most appropriate measure of this association is the attributable proportion. The intermediate end point is a valid cancer surrogate if the attributable proportion is close to 1.0, but not if it is close to 0. Usually, the attributable proportion is close to neither 1.0 nor 0; in this case, valid surrogacy requires that the intermediate end point mediate an established exposure-cancer relation. This would in turn imply that the exposure effect would vanish if adjusted for the intermediate end point. We discuss the relative advantages of intervention and observational studies for the validation of intermediate end points. This validation strategy also may be applied to intermediate end points for adverse reproductive outcomes and chronic diseases other than cancer.

  14. Biocatalytic Synthesis of Chiral Pharmaceutical Intermediates

    Directory of Open Access Journals (Sweden)

    Ramesh N. Patel

    2004-01-01

    Full Text Available The production of single enantiomers of drug intermediates has become increasingly important in the pharmaceutical industry. Chiral intermediates and fine chemicals are in high demand from both the pharmaceutical and agrochemical industries for the preparation of bulk drug substances and agricultural products. The enormous potential of microorganisms and enzymes for the transformation of synthetic chemicals with high chemo-, regio- and enantioselectivities has been demonstrated. In this article, biocatalytic processes are described for the synthesis of chiral pharmaceutical intermediates.

  15. Freshening of Antarctic Intermediate Water in the South Atlantic Ocean in 2005-2014

    Science.gov (United States)

    Yao, Wenjun; Shi, Jiuxin; Zhao, Xiaolong

    2017-07-01

    Basin-scale freshening of Antarctic Intermediate Water (AAIW) is reported to have occurred in the South Atlantic Ocean during the period from 2005 to 2014, as shown by the gridded monthly means of the Array for Real-time Geostrophic Oceanography (Argo) data. This phenomenon was also revealed by two repeated transects along a section at 30° S, performed during the World Ocean Circulation Experiment Hydrographic Program. Freshening of the AAIW was compensated for by a salinity increase of thermocline water, indicating a hydrological cycle intensification. This was supported by the precipitation-minus-evaporation change in the Southern Hemisphere from 2000 to 2014. Freshwater input from atmosphere to ocean surface increased in the subpolar high-precipitation region and vice versa in the subtropical high-evaporation region. Against the background of hydrological cycle changes, a decrease in the transport of Agulhas Leakage (AL), which was revealed by the simulated velocity field, was proposed to be a contributor to the associated freshening of AAIW. Further calculation showed that such a decrease could account for approximately 53 % of the observed freshening (mean salinity reduction of about 0.012 over the AAIW layer). The estimated variability of AL was inferred from a weakening of wind stress over the South Indian Ocean since the beginning of the 2000s, which would facilitate freshwater input from the source region. The mechanical analysis of wind data here was qualitative, but it is contended that this study would be helpful to validate and test predictably coupled sea-air model simulations.

  16. Rigid muffin-tin approximation for the electron-phonon interaction in transition metals

    International Nuclear Information System (INIS)

    Butler, W.H.

    1980-01-01

    Progress in calculating the electron-phonon parameters of transition metals has been based on either the rigid muffin-tin approximation (RMTA) or the fitted modified tight-binding approximation (FMTBA). The RMTA has been shown to be remarkably accurate for average electron-phonon properties, but there are indications that RMTA matrix elements may be too small at low momentum transfer. An attempt is made to demonstrate these assertions concerning the accuracy of RMTA and the numerous electron-phonon calculations are placed in a broader perspective by a demonstration of how they can be used to explain the trends in the strength of the electron-phonon coupling among the transition metals and the A-15 compounds

  17. Rigid muffin-tin approximation for the electron-phonon interaction in transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Butler, W.H.

    1980-01-01

    Progress in calculating the electron-phonon parameters of transition metals has been based on either the rigid muffin-tin approximation (RMTA) or the fitted modified tight-binding approximation (FMTBA). The RMTA has been shown to be remarkably accurate for average electron-phonon properties, but there are indications that RMTA matrix elements may be too small at low momentum transfer. An attempt is made to demonstrate these assertions concerning the accuracy of RMTA and the numerous electron-phonon calculations are placed in a broader perspective by a demonstration of how they can be used to explain the trends in the strength of the electron-phonon coupling among the transition metals and the A-15 compounds. (GHT)

  18. Simplifying biochemical models with intermediate species

    DEFF Research Database (Denmark)

    Feliu, Elisenda; Wiuf, Carsten

    2013-01-01

    techniques, we study systematically the effects of intermediate, or transient, species in biochemical systems and provide a simple, yet rigorous mathematical classification of all models obtained from a core model by including intermediates. Main examples include enzymatic and post-translational modification...... systems, where intermediates often are considered insignificant and neglected in a model, or they are not included because we are unaware of their existence. All possible models obtained from the core model are classified into a finite number of classes. Each class is defined by a mathematically simple...... canonical model that characterizes crucial dynamical properties, such as mono- and multistationarity and stability of steady states, of all models in the class. We show that if the core model does not have conservation laws, then the introduction of intermediates does not change the steady...

  19. Formulation and Application of Optimal Homotopty Asymptotic Method to Coupled Differential - Difference Equations

    Science.gov (United States)

    Ullah, Hakeem; Islam, Saeed; Khan, Ilyas; Shafie, Sharidan; Fiza, Mehreen

    2015-01-01

    In this paper we applied a new analytic approximate technique Optimal Homotopy Asymptotic Method (OHAM) for treatment of coupled differential- difference equations (DDEs). To see the efficiency and reliability of the method, we consider Relativistic Toda coupled nonlinear differential-difference equation. It provides us a convenient way to control the convergence of approximate solutions when it is compared with other methods of solution found in the literature. The obtained solutions show that OHAM is effective, simpler, easier and explicit. PMID:25874457

  20. Reactions of stabilized Criegee Intermediates

    Science.gov (United States)

    Vereecken, Luc; Harder, Hartwig; Novelli, Anna

    2014-05-01

    Carbonyl oxides (Criegee intermediates) were proposed as key intermediates in the gas phase ozonolysis of alkenes in 1975 by Rudolf Criegee. Despite the importance of ozonolysis in atmospheric chemistry, direct observation of these intermediates remained elusive, with only indirect experimental evidence for their role in the oxidation of hydrocarbons, e.g. through scavenging experiments. Direct experimental observation of stabilized CI has only been achieved since 2008. Since then, a concerted effort using experimental and theoretical means is in motion to characterize the chemistry and kinetics of these reactive intermediates. We present the results of theoretical investigations of the chemistry of Criegee intermediates with a series of coreactants which may be of importance in the atmosphere, in experimental setups, or both. This includes the CI+CI cross-reaction, which proceeds with a rate coefficient near the collision limit and can be important in experimental conditions. The CI + alkene reactions show strong dependence of the rate coefficient depending on the coreactants, but is generally found to be rather slow. The CI + ozone reaction is sufficiently fast to occur both in experiment and the free troposphere, and acts as a sink for CI. The reaction of CI with hydroperoxides, ROOH, is complex, and leads both to the formation of oligomers, as to the formation of reactive etheroxides, with a moderately fast rate coefficient. The importance of these reactions is placed in the context of the reaction conditions in different atmospheric environments ranging from unpolluted to highly polluted.

  1. The intermediate endpoint effect in logistic and probit regression

    Science.gov (United States)

    MacKinnon, DP; Lockwood, CM; Brown, CH; Wang, W; Hoffman, JM

    2010-01-01

    Background An intermediate endpoint is hypothesized to be in the middle of the causal sequence relating an independent variable to a dependent variable. The intermediate variable is also called a surrogate or mediating variable and the corresponding effect is called the mediated, surrogate endpoint, or intermediate endpoint effect. Clinical studies are often designed to change an intermediate or surrogate endpoint and through this intermediate change influence the ultimate endpoint. In many intermediate endpoint clinical studies the dependent variable is binary, and logistic or probit regression is used. Purpose The purpose of this study is to describe a limitation of a widely used approach to assessing intermediate endpoint effects and to propose an alternative method, based on products of coefficients, that yields more accurate results. Methods The intermediate endpoint model for a binary outcome is described for a true binary outcome and for a dichotomization of a latent continuous outcome. Plots of true values and a simulation study are used to evaluate the different methods. Results Distorted estimates of the intermediate endpoint effect and incorrect conclusions can result from the application of widely used methods to assess the intermediate endpoint effect. The same problem occurs for the proportion of an effect explained by an intermediate endpoint, which has been suggested as a useful measure for identifying intermediate endpoints. A solution to this problem is given based on the relationship between latent variable modeling and logistic or probit regression. Limitations More complicated intermediate variable models are not addressed in the study, although the methods described in the article can be extended to these more complicated models. Conclusions Researchers are encouraged to use an intermediate endpoint method based on the product of regression coefficients. A common method based on difference in coefficient methods can lead to distorted

  2. Random phase approximation in relativistic approach

    International Nuclear Information System (INIS)

    Ma Zhongyu; Yang Ding; Tian Yuan; Cao Ligang

    2009-01-01

    Some special issues of the random phase approximation(RPA) in the relativistic approach are reviewed. A full consistency and proper treatment of coupling to the continuum are responsible for the successful application of the RPA in the description of dynamical properties of finite nuclei. The fully consistent relativistic RPA(RRPA) requires that the relativistic mean filed (RMF) wave function of the nucleus and the RRPA correlations are calculated in a same effective Lagrangian and the consistent treatment of the Dirac sea of negative energy states. The proper treatment of the single particle continuum with scattering asymptotic conditions in the RMF and RRPA is discussed. The full continuum spectrum can be described by the single particle Green's function and the relativistic continuum RPA is established. A separable form of the paring force is introduced in the relativistic quasi-particle RPA. (authors)

  3. Offsetting the difficulties of the molecular model of atomic collisions in the intermediate velocity range

    International Nuclear Information System (INIS)

    Errea, L.F.; Mendez, L.; Riera, A.

    1991-01-01

    To offset the defective behavior of the molecular method of atomic collisions at intermediate energies, we propose a method to approximate the probability flux towards continuum and discrete states not included in the molecular basis. We check the degree of accuracy and limitations of the method for a model case where transition probabilities can be calculated exactly. An application to the benchmark case of He + +H + collisions is also presented, and yields complementary information on the properties of this approach

  4. Hipse: an event generator for nuclear collisions at intermediate energies

    International Nuclear Information System (INIS)

    Lacroix, D.; Van Lauwe, A.; Durand, D.

    2003-11-01

    An event generator, HIPSE (Heavy-Ion Phase-Space Exploration), dedicated to the description of nuclear collisions in the intermediate energy range is presented. Based on the sudden approximation and on geometrical hypothesis, it can conveniently simulate heavy-ion interactions at all impact parameters and thus can constitute a valuable tool for the understanding of processes such as neck emission or multifragmentation in peripheral or/and central collisions. After a detailed description of the ingredients of the model, first comparisons with experimental data collected by the INDRA collaboration are shown. Special emphasis is put on the kinematical characteristics of fragments and light particles observed at all impact parameters for Xe+Sn reactions at 25 and 50 MeV/u and Ni + Ni at 82 MeV/u. (authors)

  5. THE ISOTROPIC DIFFUSION SOURCE APPROXIMATION FOR SUPERNOVA NEUTRINO TRANSPORT

    International Nuclear Information System (INIS)

    Liebendoerfer, M.; Whitehouse, S. C.; Fischer, T.

    2009-01-01

    Astrophysical observations originate from matter that interacts with radiation or transported particles. We develop a pragmatic approximation in order to enable multidimensional simulations with basic spectral radiative transfer when the available computational resources are not sufficient to solve the complete Boltzmann transport equation. The distribution function of the transported particles is decomposed into a trapped particle component and a streaming particle component. Their separate evolution equations are coupled by a source term that converts trapped particles into streaming particles. We determine this source term by requiring the correct diffusion limit for the evolution of the trapped particle component. For a smooth transition to the free streaming regime, this 'diffusion source' is limited by the matter emissivity. The resulting streaming particle emission rates are integrated over space to obtain the streaming particle flux. Finally, a geometric estimate of the flux factor is used to convert the particle flux to the streaming particle density, which enters the evaluation of streaming particle-matter interactions. The efficiency of the scheme results from the freedom to use different approximations for each particle component. In supernovae, for example, reactions with trapped particles on fast timescales establish equilibria that reduce the number of primitive variables required to evolve the trapped particle component. On the other hand, a stationary-state approximation considerably facilitates the treatment of the streaming particle component. Different approximations may apply in applications to stellar atmospheres, star formation, or cosmological radiative transfer. We compare the isotropic diffusion source approximation with Boltzmann neutrino transport of electron flavor neutrinos in spherically symmetric supernova models and find good agreement. An extension of the scheme to the multidimensional case is also discussed.

  6. Multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution as a mechanism to generate intermediate band energy levels

    Science.gov (United States)

    Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.

    2017-04-01

    In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.

  7. Inelastic collisions between an atom and a diatomic molecule. I. Theoretical and numerical considerations for the close coupling approximation

    International Nuclear Information System (INIS)

    Choi, B.H.; Tang, K.T.

    1975-01-01

    The close coupled differential equations for rotational excitation in collisions between an atom and a diatomic molecule are reformulated. Although it is equivalent to other formulations, it is computationally more convenient and gives a simpler expression for differential cross sections. Questions concerning real boundary conditions and the unitarity of the S matrix are discussed. Stormer's algorithm for solving coupled differential equations is introduced for molecular scatterings. This numerical procedure, which is known to be very useful in nuclear scattering problems, has to be modified for molecular systems. It is capable of treating the case where all channels are open as well as the case where some of the channels are closed. This algorithm is compared with other typical procedures of solving coupled differential equations

  8. Gravity with Intermediate Goods Trade

    Directory of Open Access Journals (Sweden)

    Sujin Jang

    2017-12-01

    Full Text Available This paper derives the gravity equation with intermediate goods trade. We extend a standard monopolistic competition model to incorporate intermediate goods trade, and show that the gravity equation with intermediates trade is identical to the one without it except in that gross output should be used as the output measure instead of value added. We also show that the output elasticity of trade is significantly underestimated when value added is used as the output measure. This implies that with the conventional gravity equation, the contribution of output growth can be substantially underestimated and the role of trade costs reduction can be exaggerated in explaining trade expansion, as we demonstrate for the case of Korea's trade growth between 1995 and 2007.

  9. Self-similar factor approximants

    International Nuclear Information System (INIS)

    Gluzman, S.; Yukalov, V.I.; Sornette, D.

    2003-01-01

    The problem of reconstructing functions from their asymptotic expansions in powers of a small variable is addressed by deriving an improved type of approximants. The derivation is based on the self-similar approximation theory, which presents the passage from one approximant to another as the motion realized by a dynamical system with the property of group self-similarity. The derived approximants, because of their form, are called self-similar factor approximants. These complement the obtained earlier self-similar exponential approximants and self-similar root approximants. The specific feature of self-similar factor approximants is that their control functions, providing convergence of the computational algorithm, are completely defined from the accuracy-through-order conditions. These approximants contain the Pade approximants as a particular case, and in some limit they can be reduced to the self-similar exponential approximants previously introduced by two of us. It is proved that the self-similar factor approximants are able to reproduce exactly a wide class of functions, which include a variety of nonalgebraic functions. For other functions, not pertaining to this exactly reproducible class, the factor approximants provide very accurate approximations, whose accuracy surpasses significantly that of the most accurate Pade approximants. This is illustrated by a number of examples showing the generality and accuracy of the factor approximants even when conventional techniques meet serious difficulties

  10. Mobile communication and intermediality

    DEFF Research Database (Denmark)

    Helles, Rasmus

    2013-01-01

    communicative affordances of mobile devices in order to understand how people choose between them for different purposes. It is argued that mobile communication makes intermediality especially central, as the choice of medium is detached from the location of stationary media and begins to follow the user across......The article argues the importance of intermediality as a concept for research in mobile communication and media. The constant availability of several, partially overlapping channels for communication (texting, calls, email, Facebook, etc.) requires that we adopt an integrated view of the various...

  11. On the independent particle approximation of Gauge theories: a simple example

    International Nuclear Information System (INIS)

    Palladino, B.E.

    1992-08-01

    In this work, the independent particle model formulation is studied as a mean-field approximation of gauge theories using the path integral approach in the framework of quantum electrodynamics in 1+1 dimensions. It is shown how a mean-field approximation scheme can be applied to fit an effective potential to an independent particle model, building a straightforward relation between the model and the associated gauge field theory. An example is made considering the problem of massive Dirac fermions on a line, the so called massive Schwinger model. An interesting result is found, indicating a behaviour of screening of the charges in the relativistic limit of strong coupling. A forthcoming application of the method developed to confining potentials in independent quark models for QCD is in view and is briefly discussed. (author)

  12. Exergetic optimization of a key design parameter in heat pump systems with economizer coupled with scroll compressor

    International Nuclear Information System (INIS)

    Ma, Guoyuan; Li, Xianguo

    2007-01-01

    The heat pump system with economizer coupled with scroll compressor can extend effectively its operating ranges and provide a technological method to enable the heat pump to run steadily and efficiently in severe weather conditions. The intermediate pressure, namely the working pressure of the refrigerant in the economizer, is an essential design parameter and affects crucially the performances of the heat pump system. According to the exergetic model setup for the heat pump system based on the second law of thermodynamics, the influences of the intermediate pressure on the performances are comprehensively analyzed using experimental data of the heat pump prototype. It is found that the optimal relative intermediate pressure (RIP) is between 1.1 and 1.3

  13. Antigravity: Spin-gravity coupling in action

    Science.gov (United States)

    Plyatsko, Roman; Fenyk, Mykola

    2016-08-01

    The typical motions of a spinning test particle in Schwarzschild's background which show the strong repulsive action of the highly relativistic spin-gravity coupling are considered using the exact Mathisson-Papapetrou equations. An approximated approach to choice solutions of these equations which describe motions of the particle's proper center of mass is developed.

  14. Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems

    International Nuclear Information System (INIS)

    Kotler, Z.; Neria, E.; Nitzan, A.

    1991-01-01

    The use of the time-dependent self-consistent field approximation (TDSCF) in the numerical solution of quantum curve crossing and tunneling dynamical problems is investigated. Particular emphasis is given to multiconfiguration TDSCF (MCTDSCF) approximations, which are shown to perform considerably better with only a small increase in computational effort. We investigate a number of simple models in which a 'system' characterized by two electronic potential surfaces evolves while interacting with a 'bath' mode described by an harmonic oscillator, and compare exact numerical solutions to one- and two-configuration TDSCF approximations. We also introduce and investigate a semiclassical approximation in which the 'bath' mode is described by semiclassical wavepackets (one for each electronic state) and show that for all models investigated this scheme works very well in comparison with the fully quantum MCTDSCF approximation. This provides a potentially very useful method to simulate strongly quantum systems coupled to an essentially classical environment. (orig.)

  15. Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems

    Energy Technology Data Exchange (ETDEWEB)

    Kotler, Z.; Neria, E.; Nitzan, A. (Tel Aviv Univ. (Israel). School of Chemistry)

    1991-02-01

    The use of the time-dependent self-consistent field approximation (TDSCF) in the numerical solution of quantum curve crossing and tunneling dynamical problems is investigated. Particular emphasis is given to multiconfiguration TDSCF (MCTDSCF) approximations, which are shown to perform considerably better with only a small increase in computational effort. We investigate a number of simple models in which a 'system' characterized by two electronic potential surfaces evolves while interacting with a 'bath' mode described by an harmonic oscillator, and compare exact numerical solutions to one- and two-configuration TDSCF approximations. We also introduce and investigate a semiclassical approximation in which the 'bath' mode is described by semiclassical wavepackets (one for each electronic state) and show that for all models investigated this scheme works very well in comparison with the fully quantum MCTDSCF approximation. This provides a potentially very useful method to simulate strongly quantum systems coupled to an essentially classical environment. (orig.).

  16. Interpretation and quality of the tilted axis cranking approximation

    International Nuclear Information System (INIS)

    Frauendorf, S.; Meng, J.

    1996-06-01

    Comparing with the exact solutions of the model system of one and two particles coupled to an axial rotor, the quality of the semi classical tilted axis cranking approximation is investigated. Extensive comparisons of the energies and M1 and E2 transition probabilities are carried out for the lowest bands. Very good agreement is found, except near band crossings. Various recipes to take into account finite K within the frame of the usual principal axis cranking are included into the comparison. A set of rules is suggested that permits to construct the excited bands from the cranking configurations, avoiding spurious states. (orig.)

  17. Lattice approximation of gauge theories with Dirac Kaehler fermions

    International Nuclear Information System (INIS)

    Joos, H.

    1988-01-01

    A program which tries to overcome the systematic difficulties caused by the lattice fermion problem by the consideration of models which describe Dirac fields by differential forms is reported. In the first lecture the formalism is developped and applied to the formulation of geometric QCD and of a Geometric Standard Model. The second lecture treats the characteristic symmetry problems which appear in the lattice approximation of geometric field theories. In the last lecture strong coupling dynamics of geometric QCD are considered with the final aim of a derivation of the quark model for the hadron spectrum. (author) [pt

  18. Modulated Pade approximant

    International Nuclear Information System (INIS)

    Ginsburg, C.A.

    1980-01-01

    In many problems, a desired property A of a function f(x) is determined by the behaviour of f(x) approximately equal to g(x,A) as x→xsup(*). In this letter, a method for resuming the power series in x of f(x) and approximating A (modulated Pade approximant) is presented. This new approximant is an extension of a resumation method for f(x) in terms of rational functions. (author)

  19. The infrared behaviour of the running coupling in Landau gauge QCD

    International Nuclear Information System (INIS)

    Alkofer, R.; Fischer, C.S.; Smekal, L. von.

    2002-01-01

    Approximate solutions for the gluon and ghost propagators as well as the running coupling in Landau gauge Yang-Mills theories are presented. These propagators obtained from the corresponding Dyson-Schwinger equations are in remarkable agreement with those of recent lattice calculations. The resulting running coupling possesses an infrared fixed point, α s (0) = 8.92/N for all gauge SU(N). Above one GeV the running coupling rapidly approaches its perturbative form (Authors)

  20. Approximate Dynamic Programming: Combining Regional and Local State Following Approximations.

    Science.gov (United States)

    Deptula, Patryk; Rosenfeld, Joel A; Kamalapurkar, Rushikesh; Dixon, Warren E

    2018-06-01

    An infinite-horizon optimal regulation problem for a control-affine deterministic system is solved online using a local state following (StaF) kernel and a regional model-based reinforcement learning (R-MBRL) method to approximate the value function. Unlike traditional methods such as R-MBRL that aim to approximate the value function over a large compact set, the StaF kernel approach aims to approximate the value function in a local neighborhood of the state that travels within a compact set. In this paper, the value function is approximated using a state-dependent convex combination of the StaF-based and the R-MBRL-based approximations. As the state enters a neighborhood containing the origin, the value function transitions from being approximated by the StaF approach to the R-MBRL approach. Semiglobal uniformly ultimately bounded (SGUUB) convergence of the system states to the origin is established using a Lyapunov-based analysis. Simulation results are provided for two, three, six, and ten-state dynamical systems to demonstrate the scalability and performance of the developed method.

  1. Enantiopure N-Acyldihydropyridones as Synthetic Intermediates: Asymmetric Synthesis of (-)-Septicine and (-)-Tylophorine.

    Science.gov (United States)

    Comins, Daniel L.; Chen, Xinghai; Morgan, Lawrence A.

    1997-10-17

    A concise asymmetric synthesis of (-)-septicine (1) and (-)-tylophorine (2) was accomplished with a high degree of stereocontrol in eight and nine steps, respectively. Addition of 4-(1-butenyl)magnesium bromide to 1-acylpyridinium salt 3, prepared in situ from 4-methoxy-3-(triisopropylsilyl)pyridine and the chloroformate of (-)-trans-2-(alpha-cumyl)cyclohexanol, gave a 91% yield of diastereomerically pure dihydropyridone 7. Oxidative cleavage of 7 and subsequent reduction provided alcohol 6 in 81% yield. Conversion of 6 to the chloride followed by treatment with sodium methoxide gave indolizidinone 9 in high yield. Bromination and conjugate reduction of 9 with L-Selectride, and trapping the intermediate enolate with N-(5-chloro-2-pyridyl)triflimide, provided bromovinyl triflate 11. Palladium-catalyzed cross-coupling of excess (3,4-dimethoxyphenyl)zinc bromide and 11 gave (-)-septicine (1). On the basis of this synthesis, (-)-1 was assigned the Rconfiguration. Reaction of 1 with vanadium(V) trifluoride oxide in TFA/CH(2)Cl(2) effected oxidative coupling to give a 68% yield of (-)-tylophorine (2).

  2. Internephron coupling by conducted vasomotor responses in normotensive and spontaneously hypertensive rats

    DEFF Research Database (Denmark)

    Wagner, A J; Holstein-Rathlou, N H; Marsh, D J

    1997-01-01

    strains. Mechanical length constants were similar in SD and SHR (approximately 325 microm), indicating that the signal responsible for the effect decays at the same rate in both strains. We conclude that internephron coupling strength is significantly greater in SHR and that internephron coupling is due...

  3. Magnetic impurity coupled to interacting conduction electrons

    International Nuclear Information System (INIS)

    Schork, T.

    1996-01-01

    We consider a magnetic impurity which interacts by hybridization with a system of weakly correlated electrons and determine the energy of the ground state by means of a 1/N f expansion. The correlations among the conduction electrons are described by a Hubbard Hamiltonian and are treated to the lowest order in the interaction strength. We find that their effect on the Kondo temperature, T K , in the Kondo limit is twofold: first, the position of the impurity level is shifted due to the reduction of charge fluctuations, which reduces T K . Secondly, the bare Kondo exchange coupling is enhanced as spin fluctuations are enlarged. In total, T K increases. Both corrections require intermediate states beyond the standard Varma-Yafet ansatz. This shows that the Hubbard interaction does not just provide quasiparticles, which hybridize with the impurity, but also renormalizes the Kondo coupling. copyright 1996 The American Physical Society

  4. gsub(ωrhoπ) coupling constant from QCD sum rules

    International Nuclear Information System (INIS)

    Eletsky, V.L.; Ioffe, B.L.; Kogan, Ya.I.

    1982-01-01

    QCD sum rules for the vertex function of two vector and one axial vector currents are used to calculate the gsub(ωrhoπ) coupling constant (where gsub(ωrhoπ) is a transition coupling constant for ω → rhoπ process). The obtained value, gsub(ωrhoπ) approximately 17 GeV -1 is in a good agreement with experimental data

  5. Using Peephole Optimization on Intermediate Code

    NARCIS (Netherlands)

    Tanenbaum, A.S.; van Staveren, H.; Stevenson, J.W.

    1982-01-01

    Many portable compilers generate an intermediate code that is subsequently translated into the target machine's assembly language. In this paper a stack-machine-based intermediate code suitable for algebraic languages (e.g., PASCAL, C, FORTRAN) and most byte-addressed mini- and microcomputers is

  6. Pair production of intermediate vector bosons

    International Nuclear Information System (INIS)

    Mikaelian, K.O.

    1979-01-01

    The production of intermediate vector boson pairs W + W - , Z 0 Z 0 , W +- Z 0 and W +- γ in pp and p anti p collisions is discussed. The motivation is to detect the self-interactions among the four intermediate vector bosons

  7. Adhesive permeability affects coupling of resin cements that utilise self-etching primers to dentine.

    Science.gov (United States)

    Carvalho, R M; Pegoraro, T A; Tay, F R; Pegoraro, L F; Silva, N R F A; Pashley, D H

    2004-01-01

    To examine the effects of an experimental bonding technique that reduces the permeability of the adhesive layer on the coupling of resin cements to dentine. Extracted human third molars had their mid to deep dentin surface exposed flat by transversally sectioning the crowns. Resin composite overlays were constructed and cemented to the surfaces using either Panavia F (Kuraray) or Bistite II DC (Tokuyama) resin cements mediated by their respective one-step or two-step self-etch adhesives. Experimental groups were prepared in the same way, except that the additional layer of a low-viscosity bonding resin (LVBR, Scotchbond Multi-Purpose Plus, 3M ESPE) was placed on the bonded dentine surface before luting the overlays with the respective resin cements. The bonded assemblies were stored for 24 h in water at 37 degrees C and subsequently prepared for microtensile bond strength testing. Beams of approximately 0.8 mm(2) were tested in tension at 0.5 mm/min in a universal tester. Fractured surfaces were examined under scanning electron microscopy (SEM). Additional specimens were prepared and examined with TEM using a silver nitrate-staining technique. Two-way ANOVA showed significant interactions between materials and bonding protocols (p0.05). SEM observation of the fractured surfaces in Panavia F showed rosette-like features that were exclusive for specimens bonded according to manufacturer's directions. Such features corresponded well with the ultrastructure of the interfaces that showed more nanoleakage associated with the more permeable adhesive interface. The application of the additional layer of the LVBR reduced the amount of silver impregnation for both adhesives suggesting that reduced permeability of the adhesives resulted in improved coupling of the resin cements to dentin. Placement of an intermediate layer of a LVBR between the bonded dentine surface and the resin cements resulted in improved coupling of Panavia F to dentine.

  8. Spin observables at intermediate energies: a tool in viewing the nucleus

    International Nuclear Information System (INIS)

    McClelland, J.B.

    1986-01-01

    This paper attempts to summarize some of the advances made in intermediate nuclear physics through measurements of spin observables, notably in the range of bombarding energies from 100 to 1000 MeV. Relative to measurements of cross section, spin observables offer a highly selective filter in viewing the nucleus. Their general utility is found in their sensitivity to particular nuclear transitions and is further augmented by their simple connections to the NN force. The advantage of higher energies is apparent from the dominance of single-step mechanisms even at large energy losses where general nuclear spin responses may be made. Experimentally, this is an energy range where efficient, high-analyzing-power polarimeters can be coupled with high resolution detection techniques. 29 refs., 5 figs

  9. The nuclear spin-orbit coupling

    International Nuclear Information System (INIS)

    Bell, J.S.; Skyrme, T.H.R.

    1994-01-01

    Analysis of the nucleon-nucleon scattering around 100 MeV has determined the spin-orbit coupling part of the two-body scattering matrix at that energy, and a reasonable extrapolation to lower energies is possible. This scattering amplitude has been used, in the spirit of Brueckner's nuclear model, to estimate the resultant single-body spin-orbit coupling for a single nucleon interacting with a large nucleus. This resultant potential has a radial dependence approximately proportional to r -1 d ρ /dr, and with a magnitude in good agreement with that required to explain the doublet splittings in nuclei and the polarization of nucleons scattered elastically off nuclei. (author). 14 refs, 2 figs

  10. Manganese-Catalyzed Cross-Coupling of Aryl Halides and Grignard Reagents by a Radical Mechanism

    DEFF Research Database (Denmark)

    Antonacci, Giuseppe; Ahlburg, Andreas; Fristrup, Peter

    2017-01-01

    The substrate scope and the mechanism have been investigated for the MnCl2-catalyzed cross-coupling reaction between aryl halides and Grignard reagents. The transformation proceeds rapidly and in good yield when the aryl halide component is an aryl chloride containing a cyano or an ester group....... Two radical-clock experiments were carried out, and in both cases an intermediate aryl radical was successfully trapped. The cross-coupling reaction is therefore believed to proceed by an SRN1 mechanism, with a triorganomanganate complex serving as the most likely nucleophile and single-electron donor...

  11. Cross-channel coupling in positron-atom scattering

    International Nuclear Information System (INIS)

    McAlinden, M.T.; Kernoghan, A.A.; Walters, H.R.J.

    1994-01-01

    Coupled-state calculations including positronium channels are reported for positron scattering by atomic hydrogen, lithium and sodium. Integrated cross sections and total cross sections are presented for all three atoms. For lithium differential cross sections are also given. Throughout, comparison is made between results calculated with and without inclusion of the positronium channels. S-wave cross sections for positron scattering by atomic hydrogen in the Ps(1s, 2s, 2p) + H(1s, 2s, 2p) approximation show the high energy resonance first observed by Higgins and Burke in the coupled-static approximation. This resonance has now moved up to 51.05 eV and narrowed in width to 2.92 eV. Other pronounced structure is seen in the S-wave cross sections between 10 and 20 eV; it is tentatively suggested that this structure may be due to the formation of a temporary pseudo-molecular collision complex. Results calculated in the Ps(1s, 2s, anti 3 anti s, anti 4 anti s, 2p, anti 3 anti p, anti 4 anti p, anti 3 anti d, anti 4 anti d) + H(1s, 2s, anti 3 anti s, anti 4 anti s, 2p, anti 3 anti p, anti 4 anti p, anti 3 anti d, anti 4 anti d) approximation show convergence towards accurate values in the energy region below and in the Ore gap. Contrary to previous work on lithium using only an atomic basis, it is found that coupling to the 3d state of lithium is not so important when positronium channels are included; this is because a mixed basis of atom and positronium states gives a more rapidly convergent approximation than an expansion based on atom states alone. The threshold behaviour of the elastic cross section and the Ps(1s) formation cross section for lithium is investigated. Results in the Ps(1s, 2s, 2p) + Na(3s, 3p) approximation for sodium show good agreement with the total cross section measurements of Kwan et al. (orig.)

  12. Accuracy estimation for intermediate and low energy neutron transport calculation with Monte Carlo code MCNP

    International Nuclear Information System (INIS)

    Kotegawa, Hiroshi; Sasamoto, Nobuo; Tanaka, Shun-ichi

    1987-02-01

    Both ''measured radioactive inventory due to neutron activation in the shield concrete of JPDR'' and ''measured intermediate and low energy neutron spectra penetrating through a graphite sphere'' are analyzed using a continuous energy model Monte Carlo code MCNP so as to estimate calculational accuracy of the code for neutron transport in thermal and epithermal energy regions. Analyses reveal that MCNP calculates thermal neutron spectra fairly accurately, while it apparently over-estimates epithermal neutron spectra (of approximate 1/E distribution) as compared with the measurements. (author)

  13. Identification of an Unfolding Intermediate for a DNA Lesion Bypass Polymerase

    Science.gov (United States)

    Sherrer, Shanen M.; Maxwell, Brian A.; Pack, Lindsey R.; Fiala, Kevin A.; Fowler, Jason D.; Zhang, Jun; Suo, Zucai

    2012-01-01

    Sulfolobus solfataricusDNA Polymerase IV (Dpo4), a prototype Y-family DNA polymerase, has been well characterized biochemically and biophysically at 37 °C or lower temperatures. However, the physiological temperature of the hyperthermophile S. solfataricus is approximately 80 °C. With such a large discrepancy in temperature, the in vivo relevance of these in vitro studies of Dpo4 has been questioned. Here, we employed circular dichroism spectroscopy and fluorescence-based thermal scanning to investigate the secondary structural changes of Dpo4 over a temperature range from 26 to 119 °C. Dpo4 was shown to display a high melting temperature characteristic of hyperthermophiles. Unexpectedly, the Little Finger domain of Dpo4, which is only found in the Y-family DNA polymerases, was shown to be more thermostable than the polymerase core. More interestingly, Dpo4 exhibited a three-state cooperative unfolding profile with an unfolding intermediate. The linker region between the Little Finger and Thumb domains of Dpo4 was found to be a source of structural instability. Through site-directed mutagenesis, the interactions between the residues in the linker region and the Palm domain were identified to play a critical role in the formation of the unfolding intermediate. Notably, the secondary structure of Dpo4 was not altered when the temperature was increased from 26 to 87.5 °C. Thus, in addition to providing structural insights into the thermal stability and an unfolding intermediate of Dpo4, our work also validated the relevance of the in vitro studies of Dpo4 performed at temperatures significantly lower than 80 °C. PMID:22667759

  14. Language in use intermediate : classroom book

    CERN Document Server

    Doff, Adrian

    1995-01-01

    ach of the four levels comprises about 80 hours of class work, with additional time for the self-study work. The Teacher's Book contains all the pages from the Classroom Book, with interleaved teaching notes including optional activities to cater for different abilities. There is a video to accompany the Beginner, Pre-intermediate and Intermediate levels. Each video contains eight stimulating and entertaining short programmes, as well as a booklet of photocopiable activities. Free test material is available in booklet and web format for Beginner and Pre-intermediate levels. Visit www.cambridge.org/elt/liu or contact your local Cambridge University Press representative.

  15. Language in use intermediate : teacher's book

    CERN Document Server

    Doff, Adrian

    1998-01-01

    Each of the four levels comprises about 80 hours of class work, with additional time for the self-study work. The Teacher's Book contains all the pages from the Classroom Book, with interleaved teaching notes including optional activities to cater for different abilities. There is a video to accompany the Beginner, Pre-intermediate and Intermediate levels. Each video contains eight stimulating and entertaining short programmes, as well as a booklet of photocopiable activities. Free test material is available in booklet and web format for Beginner and Pre-intermediate levels. Visit www.cambridge.org/elt/liu or contact your local Cambridge University Press representative.

  16. Predictive modeling of coupled multi-physics systems: I. Theory

    International Nuclear Information System (INIS)

    Cacuci, Dan Gabriel

    2014-01-01

    Highlights: • We developed “predictive modeling of coupled multi-physics systems (PMCMPS)”. • PMCMPS reduces predicted uncertainties in predicted model responses and parameters. • PMCMPS treats efficiently very large coupled systems. - Abstract: This work presents an innovative mathematical methodology for “predictive modeling of coupled multi-physics systems (PMCMPS).” This methodology takes into account fully the coupling terms between the systems but requires only the computational resources that would be needed to perform predictive modeling on each system separately. The PMCMPS methodology uses the maximum entropy principle to construct an optimal approximation of the unknown a priori distribution based on a priori known mean values and uncertainties characterizing the parameters and responses for both multi-physics models. This “maximum entropy”-approximate a priori distribution is combined, using Bayes’ theorem, with the “likelihood” provided by the multi-physics simulation models. Subsequently, the posterior distribution thus obtained is evaluated using the saddle-point method to obtain analytical expressions for the optimally predicted values for the multi-physics models parameters and responses along with corresponding reduced uncertainties. Noteworthy, the predictive modeling methodology for the coupled systems is constructed such that the systems can be considered sequentially rather than simultaneously, while preserving exactly the same results as if the systems were treated simultaneously. Consequently, very large coupled systems, which could perhaps exceed available computational resources if treated simultaneously, can be treated with the PMCMPS methodology presented in this work sequentially and without any loss of generality or information, requiring just the resources that would be needed if the systems were treated sequentially

  17. Electron-deuteron scattering in the equal-time formalism: beyond the impulse approximation

    Energy Technology Data Exchange (ETDEWEB)

    D.R. Phillips; Stephen Wallace; N.K. Devine

    2004-11-01

    Using a three-dimensional formalism that includes relativistic kinematics, the effects of negative-energy states, approximate boosts of the two-body system, and current conservation, we calculate the electromagnetic form factors of the deuteron up to Q{sup 2} of 4 GeV{sup 2}. This is done using a dynamical boost for two-body systems with spin. We first compute form factors in impulse approximation, but then also add an isoscalar meson-exchange current of pion range that involves the gamma-pi contact operator associated with pseudovector pi-N coupling. We also consider effects of the rho-pi-gamma meson-exchange current. The experimentally measured quantities A, B, and t20 are calculated over the kinematic range probed in recent Jefferson Laboratory experiments. The rho-pi-gamma meson-exchange current provides significant strength in A at large Q{sup 2} and the gamma-pi contact-term exchange current shifts t20, providing good agreement with the JLab data. Relativistic effects and the gamma-pi meson-exchange current do not provide an explanation of the B observable, but the rho-pi-gamma current could help to provide agreement if a nonstandard value is used for the tensor rho-N coupling that enters this contribution.

  18. Interpretation and code generation based on intermediate languages

    DEFF Research Database (Denmark)

    Kornerup, Peter; Kristensen, Bent Bruun; Madsen, Ole Lehrmann

    1980-01-01

    The possibility of supporting high level languages through intermediate languages to be used for direct interpretation and as intermediate forms in compilers is investigated. An accomplished project in the construction of an interpreter and a code generator using one common intermediate form...

  19. Comment on the accuracy of Rabitz' effective potential approximation for rotational excitation by collisions

    International Nuclear Information System (INIS)

    Green, S.

    1975-01-01

    Cross sections for rotational excitation of HCN by low energy collisions with He have been computed with the effective potential approximation of Rabitz and compared with accurate quantum close-coupling results. Elastic cross sections are found to agree to about 20%; inelastic cross sections agree in general magnitude but not in detailed values for specific quantum transitions

  20. Freshening of Antarctic Intermediate Water in the South Atlantic Ocean in 2005–2014

    Directory of Open Access Journals (Sweden)

    W. Yao

    2017-07-01

    Full Text Available Basin-scale freshening of Antarctic Intermediate Water (AAIW is reported to have occurred in the South Atlantic Ocean during the period from 2005 to 2014, as shown by the gridded monthly means of the Array for Real-time Geostrophic Oceanography (Argo data. This phenomenon was also revealed by two repeated transects along a section at 30° S, performed during the World Ocean Circulation Experiment Hydrographic Program. Freshening of the AAIW was compensated for by a salinity increase of thermocline water, indicating a hydrological cycle intensification. This was supported by the precipitation-minus-evaporation change in the Southern Hemisphere from 2000 to 2014. Freshwater input from atmosphere to ocean surface increased in the subpolar high-precipitation region and vice versa in the subtropical high-evaporation region. Against the background of hydrological cycle changes, a decrease in the transport of Agulhas Leakage (AL, which was revealed by the simulated velocity field, was proposed to be a contributor to the associated freshening of AAIW. Further calculation showed that such a decrease could account for approximately 53 % of the observed freshening (mean salinity reduction of about 0.012 over the AAIW layer. The estimated variability of AL was inferred from a weakening of wind stress over the South Indian Ocean since the beginning of the 2000s, which would facilitate freshwater input from the source region. The mechanical analysis of wind data here was qualitative, but it is contended that this study would be helpful to validate and test predictably coupled sea–air model simulations.

  1. Nonlocal synchronization in nearest neighbour coupled oscillators

    International Nuclear Information System (INIS)

    El-Nashar, H.F.; Elgazzar, A.S.; Cerdeira, H.A.

    2002-02-01

    We investigate a system of nearest neighbour coupled oscillators. We show that the nonlocal frequency synchronization, that might appear in such a system, occurs as a consequence of the nearest neighbour coupling. The power spectra of nonadjacent oscillators shows that there is no complete coincidence between all frequency peaks of the oscillators in the nonlocal cluster, while the peaks for neighbouring oscillators approximately coincide even if they are not yet in a cluster. It is shown that nonadjacent oscillators closer in frequencies, share slow modes with their adjacent oscillators which are neighbours in space. It is also shown that when a direct coupling between non-neighbours oscillators is introduced explicitly, the peaks of the spectra of the frequencies of those non-neighbours coincide. (author)

  2. Search for intermediate vector bosons

    International Nuclear Information System (INIS)

    Cline, D.B.; Rubbia, C.; van der Meer, S.

    1982-01-01

    Over the past 15 years a new class of unified theories has been developed to describe the forces acting between elementary particles. The most successful of the new theories establishes a link between electromagnetism and the weak force. A crucial prediction of this unified electroweak theory is the existence of three massive particles called intermediate vector bosons. If these intermediate vector bosons exist and if they have properties attributed to them by electroweak theory, they should soon be detected, as the world's first particle accelerator with enough energy to create such particles has recently been completed at the European Organization for Nuclear Research (CERN) in Geneva. The accelerator has been converted to a colliding beam machine in which protons and antiprotons collide head on. According to electroweak theory, intermediate vector bosons can be created in proton-antiproton collisions. (SC)

  3. Single-particle properties of the Hubbard model in a novel three-pole approximation

    Science.gov (United States)

    Di Ciolo, Andrea; Avella, Adolfo

    2018-05-01

    We study the 2D Hubbard model using the Composite Operator Method within a novel three-pole approximation. Motivated by the long-standing experimental puzzle of the single-particle properties of the underdoped cuprates, we include in the operatorial basis, together with the usual Hubbard operators, a field describing the electronic transitions dressed by the nearest-neighbor spin fluctuations, which play a crucial role in the unconventional behavior of the Fermi surface and of the electronic dispersion. Then, we adopt this approximation to study the single-particle properties in the strong coupling regime and find an unexpected behavior of the van Hove singularity that can be seen as a precursor of a pseudogap regime.

  4. 39 CFR 3001.39 - Intermediate decisions.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Intermediate decisions. 3001.39 Section 3001.39 Postal Service POSTAL REGULATORY COMMISSION PERSONNEL RULES OF PRACTICE AND PROCEDURE Rules of General Applicability § 3001.39 Intermediate decisions. (a) Initial decision by presiding officer. In any proceedings in...

  5. 42 CFR 54.12 - Treatment of intermediate organizations.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false Treatment of intermediate organizations. 54.12... intermediate organizations. If a nongovernmental organization (referred to here as an “intermediate organization”), acting under a contract or other agreement with the Federal Government or a State or local...

  6. Analog quantum simulation of the Rabi model in the ultra-strong coupling regime.

    Science.gov (United States)

    Braumüller, Jochen; Marthaler, Michael; Schneider, Andre; Stehli, Alexander; Rotzinger, Hannes; Weides, Martin; Ustinov, Alexey V

    2017-10-03

    The quantum Rabi model describes the fundamental mechanism of light-matter interaction. It consists of a two-level atom or qubit coupled to a quantized harmonic mode via a transversal interaction. In the weak coupling regime, it reduces to the well-known Jaynes-Cummings model by applying a rotating wave approximation. The rotating wave approximation breaks down in the ultra-strong coupling regime, where the effective coupling strength g is comparable to the energy ω of the bosonic mode, and remarkable features in the system dynamics are revealed. Here we demonstrate an analog quantum simulation of an effective quantum Rabi model in the ultra-strong coupling regime, achieving a relative coupling ratio of g/ω ~ 0.6. The quantum hardware of the simulator is a superconducting circuit embedded in a cQED setup. We observe fast and periodic quantum state collapses and revivals of the initial qubit state, being the most distinct signature of the synthesized model.An analog quantum simulation scheme has been explored with a quantum hardware based on a superconducting circuit. Here the authors investigate the time evolution of the quantum Rabi model at ultra-strong coupling conditions, which is synthesized by slowing down the system dynamics in an effective frame.

  7. High-accuracy coupled cluster calculations of atomic properties

    Energy Technology Data Exchange (ETDEWEB)

    Borschevsky, A. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel and Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, 0745 Auckland (New Zealand); Yakobi, H.; Eliav, E.; Kaldor, U. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv (Israel)

    2015-01-22

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup −1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

  8. High-accuracy coupled cluster calculations of atomic properties

    International Nuclear Information System (INIS)

    Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.

    2015-01-01

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm −1 , the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues

  9. Dynamics of interacting qubits coupled to a common bath: Non-Markovian quantum-state-diffusion approach

    International Nuclear Information System (INIS)

    Zhao Xinyu; Jing Jun; Corn, Brittany; Yu Ting

    2011-01-01

    Non-Markovian dynamics is studied for two interacting qubits strongly coupled to a dissipative bosonic environment. We derive a non-Markovian quantum-state-diffusion (QSD) equation for the coupled two-qubit system without any approximations, and in particular, without the Markov approximation. As an application and illustration of our derived time-local QSD equation, we investigate the temporal behavior of quantum coherence dynamics. In particular, we find a strongly non-Markovian regime where entanglement generation is significantly modulated by the environmental memory. Additionally, we study residual entanglement in the steady state by analyzing the steady-state solution of the QSD equation. Finally, we discuss an approximate QSD equation.

  10. Diabatic interaction potential for nucleus-nucleus collisions

    International Nuclear Information System (INIS)

    Noerenberg, W.; Lukasiak, A.

    1984-01-01

    Within a refined method for the construction of diabatic states allowing for the treatment of the full spin-orbit coupling, characteristic features of the diabatic potential for nucleus-nucleus collisions are investigated. Approximately 90% of the strong repulsion results from diabatic particle-hole excitations, while only 10% is due to compression. The diabatic interaction potential describes a physical situation intermediate between adiabatic and sudden approximations. (orig.)

  11. Sensitivity Studies of Advanced Reactors Coupled to High Temperature Electrolysis (HTE) Hydrogen Production Processes

    International Nuclear Information System (INIS)

    Edwin A. Harvego; Michael G. McKellar; James E. O'Brien; J. Stephen Herring

    2007-01-01

    High Temperature Electrolysis (HTE), when coupled to an advanced nuclear reactor capable of operating at reactor outlet temperatures of 800 C to 950 C, has the potential to efficiently produce the large quantities of hydrogen needed to meet future energy and transportation needs. To evaluate the potential benefits of nuclear-driven hydrogen production, the UniSim process analysis software was used to evaluate different reactor concepts coupled to a reference HTE process design concept. The reference HTE concept included an Intermediate Heat Exchanger and intermediate helium loop to separate the reactor primary system from the HTE process loops and additional heat exchangers to transfer reactor heat from the intermediate loop to the HTE process loops. The two process loops consisted of the water/steam loop feeding the cathode side of a HTE electrolysis stack, and the steam or air sweep loop used to remove oxygen from the anode side. The UniSim model of the process loops included pumps to circulate the working fluids and heat exchangers to recover heat from the oxygen and hydrogen product streams to improve the overall hydrogen production efficiencies. The reference HTE process loop model was coupled to separate UniSim models developed for three different advanced reactor concepts (a high-temperature helium cooled reactor concept and two different supercritical CO2 reactor concepts). Sensitivity studies were then performed to evaluate the affect of reactor outlet temperature on the power cycle efficiency and overall hydrogen production efficiency for each of the reactor power cycles. The results of these sensitivity studies showed that overall power cycle and hydrogen production efficiencies increased with reactor outlet temperature, but the power cycle producing the highest efficiencies varied depending on the temperature range considered

  12. An improved hybrid topology optimization approach coupling simulated annealing and SIMP (SA-SIMP)

    International Nuclear Information System (INIS)

    Garcia-Lopez, N P; Sanchez-Silva, M; Medaglia, A L; Chateauneuf, A

    2010-01-01

    The Solid Isotropic Material with Penalization (SIMP) methodology has been used extensively due to its versatility and ease of implementation. However, one of its main drawbacks is that resulting topologies exhibit areas of intermediate densities which lack any physical meaning. This paper presents a hybrid methodology which couples simulated annealing and SIMP (SA-SIMP) in order to achieve solutions which are stiffer and predominantly black and white. Under a look-ahead strategy, the algorithm gradually fixes or removes those elements whose density resulting from SIMP is intermediate. Different strategies for selecting and fixing the fractional elements are examined using benchmark examples, which show that topologies resulting from SA-SIMP are more rigid than SIMP and predominantly black and white.

  13. Evidence for a Shared Mechanism in the Formation of Urea-Induced Kinetic and Equilibrium Intermediates of Horse Apomyoglobin from Ultrarapid Mixing Experiments

    Science.gov (United States)

    Mizukami, Takuya; Abe, Yukiko; Maki, Kosuke

    2015-01-01

    In this study, the equivalence of the kinetic mechanisms of the formation of urea-induced kinetic folding intermediates and non-native equilibrium states was investigated in apomyoglobin. Despite having similar structural properties, equilibrium and kinetic intermediates accumulate under different conditions and via different mechanisms, and it remains unknown whether their formation involves shared or distinct kinetic mechanisms. To investigate the potential mechanisms of formation, the refolding and unfolding kinetics of horse apomyoglobin were measured by continuous- and stopped-flow fluorescence over a time range from approximately 100 μs to 10 s, along with equilibrium unfolding transitions, as a function of urea concentration at pH 6.0 and 8°C. The formation of a kinetic intermediate was observed over a wider range of urea concentrations (0–2.2 M) than the formation of the native state (0–1.6 M). Additionally, the kinetic intermediate remained populated as the predominant equilibrium state under conditions where the native and unfolded states were unstable (at ~0.7–2 M urea). A continuous shift from the kinetic to the equilibrium intermediate was observed as urea concentrations increased from 0 M to ~2 M, which indicates that these states share a common kinetic folding mechanism. This finding supports the conclusion that these intermediates are equivalent. Our results in turn suggest that the regions of the protein that resist denaturant perturbations form during the earlier stages of folding, which further supports the structural equivalence of transient and equilibrium intermediates. An additional folding intermediate accumulated within ~140 μs of refolding and an unfolding intermediate accumulated in <1 ms of unfolding. Finally, by using quantitative modeling, we showed that a five-state sequential scheme appropriately describes the folding mechanism of horse apomyoglobin. PMID:26244984

  14. Partially folded intermediates during trypsinogen denaturation

    Directory of Open Access Journals (Sweden)

    Martins N.F.

    1999-01-01

    Full Text Available The equilibrium unfolding of bovine trypsinogen was studied by circular dichroism, differential spectra and size exclusion HPLC. The change in free energy of denaturation was = 6.99 ± 1.40 kcal/mol for guanidine hydrochloride and = 6.37 ± 0.57 kcal/mol for urea. Satisfactory fits of equilibrium unfolding transitions required a three-state model involving an intermediate in addition to the native and unfolded forms. Size exclusion HPLC allowed the detection of an intermediate population of trypsinogen whose Stokes radii varied from 24.1 ± 0.4 Å to 26.0 ± 0.3 Å for 1.5 M and 2.5 M guanidine hydrochloride, respectively. During urea denaturation, the range of Stokes radii varied from 23.9 ± 0.3 Å to 25.7 ± 0.6 Å for 4.0 M and 6.0 M urea, respectively. Maximal intrinsic fluorescence was observed at about 3.8 M urea with 8-aniline-1-naphthalene sulfonate (ANS binding. These experimental data indicate that the unfolding of bovine trypsinogen is not a simple transition and suggest that the equilibrium intermediate population comprises one intermediate that may be characterized as a molten globule. To obtain further insight by studying intermediates representing different stages of unfolding, we hope to gain a better understanding of the complex interrelations between protein conformation and energetics.

  15. Bacterial intermediate filaments

    DEFF Research Database (Denmark)

    Charbon, Godefroid; Cabeen, M.; Jacobs-Wagner, C.

    2009-01-01

    Crescentin, which is the founding member of a rapidly growing family of bacterial cytoskeletal proteins, was previously proposed to resemble eukaryotic intermediate filament (IF) proteins based on structural prediction and in vitro polymerization properties. Here, we demonstrate that crescentin...

  16. Differential cross sections for the elastic scattering of intermediate energy electrons from sodium

    International Nuclear Information System (INIS)

    Teubner, P.J.O.; Buckner, S.J.; Noble, C.J.

    1977-11-01

    Differential cross sections for the elastic scattering of electrons from sodium have been measured with high angular resolution for incident energies of 54.4, 75, 100 and 150 eV and over an angular range of 12 0 to 140 0 . The experimental data are compared with calculations based on the First Born approximation, the Glauber approximation and a close coupling impact parameter calculation. Calculations have been carried out for an optical model using the prescription of Vanderpoorten for localizing the absorptive part of the potential. Of the theoretical calculations the optical model is found to best reproduce the general features of the cross section at all energies. (Author)

  17. Testing approximate predictions of displacements of cosmological dark matter halos

    Energy Technology Data Exchange (ETDEWEB)

    Munari, Emiliano; Monaco, Pierluigi; Borgani, Stefano [Department of Physics, Astronomy Unit, University of Trieste, via Tiepolo 11, I-34143 Trieste (Italy); Koda, Jun [INAF – Osservatorio Astronomico di Brera, via E. Bianchi 46, I-23807 Merate (Italy); Kitaura, Francisco-Shu [Instituto de Astrofísica de Canarias, 38205 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain); Sefusatti, Emiliano, E-mail: munari@oats.inaf.it, E-mail: monaco@oats.inaf.it, E-mail: jun.koda@brera.inaf.it, E-mail: fkitaura@iac.es, E-mail: sefusatti@oats.inaf.it, E-mail: borgani@oats.inaf.it [INAF – Osservatorio Astronomico di Trieste, via Tiepolo 11, I-34143 Trieste (Italy)

    2017-07-01

    We present a test to quantify how well some approximate methods, designed to reproduce the mildly non-linear evolution of perturbations, are able to reproduce the clustering of DM halos once the grouping of particles into halos is defined and kept fixed. The following methods have been considered: Lagrangian Perturbation Theory (LPT) up to third order, Truncated LPT, Augmented LPT, MUSCLE and COLA. The test runs as follows: halos are defined by applying a friends-of-friends (FoF) halo finder to the output of an N-body simulation. The approximate methods are then applied to the same initial conditions of the simulation, producing for all particles displacements from their starting position and velocities. The position and velocity of each halo are computed by averaging over the particles that belong to that halo, according to the FoF halo finder. This procedure allows us to perform a well-posed test of how clustering of the matter density and halo density fields are recovered, without asking to the approximate method an accurate reconstruction of halos. We have considered the results at z =0,0.5,1, and we have analysed power spectrum in real and redshift space, object-by-object difference in position and velocity, density Probability Distribution Function (PDF) and its moments, phase difference of Fourier modes. We find that higher LPT orders are generally able to better reproduce the clustering of halos, while little or no improvement is found for the matter density field when going to 2LPT and 3LPT. Augmentation provides some improvement when coupled with 2LPT, while its effect is limited when coupled with 3LPT. Little improvement is brought by MUSCLE with respect to Augmentation. The more expensive particle-mesh code COLA outperforms all LPT methods, and this is true even for mesh sizes as large as the inter-particle distance. This test sets an upper limit on the ability of these methods to reproduce the clustering of halos, for the cases when these objects are

  18. Testing approximate predictions of displacements of cosmological dark matter halos

    Science.gov (United States)

    Munari, Emiliano; Monaco, Pierluigi; Koda, Jun; Kitaura, Francisco-Shu; Sefusatti, Emiliano; Borgani, Stefano

    2017-07-01

    We present a test to quantify how well some approximate methods, designed to reproduce the mildly non-linear evolution of perturbations, are able to reproduce the clustering of DM halos once the grouping of particles into halos is defined and kept fixed. The following methods have been considered: Lagrangian Perturbation Theory (LPT) up to third order, Truncated LPT, Augmented LPT, MUSCLE and COLA. The test runs as follows: halos are defined by applying a friends-of-friends (FoF) halo finder to the output of an N-body simulation. The approximate methods are then applied to the same initial conditions of the simulation, producing for all particles displacements from their starting position and velocities. The position and velocity of each halo are computed by averaging over the particles that belong to that halo, according to the FoF halo finder. This procedure allows us to perform a well-posed test of how clustering of the matter density and halo density fields are recovered, without asking to the approximate method an accurate reconstruction of halos. We have considered the results at z=0,0.5,1, and we have analysed power spectrum in real and redshift space, object-by-object difference in position and velocity, density Probability Distribution Function (PDF) and its moments, phase difference of Fourier modes. We find that higher LPT orders are generally able to better reproduce the clustering of halos, while little or no improvement is found for the matter density field when going to 2LPT and 3LPT. Augmentation provides some improvement when coupled with 2LPT, while its effect is limited when coupled with 3LPT. Little improvement is brought by MUSCLE with respect to Augmentation. The more expensive particle-mesh code COLA outperforms all LPT methods, and this is true even for mesh sizes as large as the inter-particle distance. This test sets an upper limit on the ability of these methods to reproduce the clustering of halos, for the cases when these objects are

  19. PRINCIPLE OF SKEW QUADRUPOLE MODULATION TO MEASURE BETATRON COUPLING

    International Nuclear Information System (INIS)

    LUO, Y.; PILAT, F.; ROSER, T.

    2004-01-01

    The measurement of the residual betatron coupling via skew quadrupole modulation is a new diagnostics technique that has been developed and tested at the Relativistic Heavy Ion Collider (RHIC) as a very promising method for the linear decoupling on the ramp. By modulating the strengths of different skew quadrupole families the two eigentunes are precisely measured with the phase lock loop system. The projections of the residual coupling coefficient onto the skew quadrupole coupling modulation directions are determined. The residual linear coupling could be corrected according to the measurement. An analytical solution for skew quadrupole modulation based on Hamiltonian perturbation approximation is given, and simulation code using smooth accelerator model is also developed. Some issues concerning the practical applications of this technique are discussed

  20. Efficient Integration of Coupled Electrical-chemical Systems in Multiscale Neuronal Simulations

    Directory of Open Access Journals (Sweden)

    Ekaterina Brocke

    2016-09-01

    Full Text Available Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. One of them is that the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components of a multiscale test system. We introduce an efficient coupling method based on the second-order backward differentiation formula numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000. The method shows a significant advantage over conventional fixed step size solvers used for similar problems. We explore different coupling strategies that define the organization of computations between system components. We study the

  1. Cheap contouring of costly functions: the Pilot Approximation Trajectory algorithm

    International Nuclear Information System (INIS)

    Huttunen, Janne M J; Stark, Philip B

    2012-01-01

    The Pilot Approximation Trajectory (PAT) contour algorithm can find the contour of a function accurately when it is not practical to evaluate the function on a grid dense enough to use a standard contour algorithm, for instance, when evaluating the function involves conducting a physical experiment or a computationally intensive simulation. PAT relies on an inexpensive pilot approximation to the function, such as interpolating from a sparse grid of inexact values, or solving a partial differential equation (PDE) numerically using a coarse discretization. For each level of interest, the location and ‘trajectory’ of an approximate contour of this pilot function are used to decide where to evaluate the original function to find points on its contour. Those points are joined by line segments to form the PAT approximation of the contour of the original function. Approximating a contour numerically amounts to estimating a lower level set of the function, the set of points on which the function does not exceed the contour level. The area of the symmetric difference between the true lower level set and the estimated lower level set measures the accuracy of the contour. PAT measures its own accuracy by finding an upper confidence bound for this area. In examples, PAT can estimate a contour more accurately than standard algorithms, using far fewer function evaluations than standard algorithms require. We illustrate PAT by constructing a confidence set for viscosity and thermal conductivity of a flowing gas from simulated noisy temperature measurements, a problem in which each evaluation of the function to be contoured requires solving a different set of coupled nonlinear PDEs. (paper)

  2. Present status of intermediate band solar cell research

    International Nuclear Information System (INIS)

    Cuadra, L.; Marti, A.; Luque, A.

    2004-01-01

    The intermediate band solar cell is a theoretical concept with the potential for exceeding the performance of conventional single-gap solar cells. This novel photovoltaic converter bases its superior theoretical efficiency over single-gap solar cells by enhancing its photogenerated current, via the two-step absorption of sub-band gap photons, without reducing its output voltage. This is achieved through a material with an electrically isolated and partially filled intermediate band located within a higher forbidden gap. This material is commonly named intermediate band material. This paper centres on summarising the present status of intermediate band solar cell research. A number of attempts, which aim to implement the intermediate band concept, are being followed: the direct engineering of the intermediate band material, its implementation by means of quantum dots and the highly porous material approach. Among other sub-band gap absorbing proposals, there is a renewed interest on the impurity photovoltaic effect, the quantum well solar cells and the particularly promising proposal for the use of up- and down-converters

  3. Systematics of intermediate-energy single-nucleon removal cross sections

    Science.gov (United States)

    Tostevin, J. A.; Gade, A.

    2014-11-01

    There is now a large and increasing body of experimental data and theoretical analyses for reactions that remove a single nucleon from an intermediate-energy beam of neutron- or proton-rich nuclei. In each such measurement, one obtains the inclusive cross section for the population of all bound final states of the mass A -1 reaction residue. These data, from different regions of the nuclear chart, and that involve weakly and strongly bound nucleons, are compared with theoretical expectations. These calculations include an approximate treatment of the reaction dynamics and shell-model descriptions of the projectile initial state, the bound final states of the residues, and the single-particle strengths computed from their overlap functions. The results are discussed in the light of recent data, more exclusive tests of the eikonal dynamical description, and calculations that take input from more microscopic nuclear structure models.

  4. Pitfalls in looking for color transparency at intermediate energies

    International Nuclear Information System (INIS)

    Frankfurt, L.L.; Strikman, M.I.; Zhalov, M.B.

    1994-01-01

    The problems and uncertainties in the search for color transparency at intermediate Q 2 are considered. We show that conventional (optical) model [distorted wave impulse approximation (DWIA)] predicts a substantial change of the transparency, T, with Q 2 in the kinematics of the Ne-18 (e,e ' p) experiment, while the color transparency phenomenon may lead to nearly Q 2 independent T. In the case of A(p,2p) reaction we demonstrate that the conventional optical model describes well the 1 GeV A(p,2p) data but not the transparency observed at higher energies. We find also that DWIA (with or without color transparency) predicts strong dependence of T on the momentum of the struck nucleon which is consistent with the pattern of the Brookhaven National Laboratory A(p,2p) data at p N =6 GeV/c and 10 GeV/c

  5. Workshop on hadron structure from photo-reactions at intermediate energies: Proceedings

    International Nuclear Information System (INIS)

    Nathan, A.M.; Sandorfi, A.M.

    1992-01-01

    This report contains papers on the following topics: The proton compton effect: Recent measurements of the electric and magnetic polorizabilities of the proton; experiments on the electric polarizability of the neutron; chiral symmetry and nucleon polarizabilities; chiral model predictions for electromagnetic polarizabilities of the nucleon, a consumer report; the polarizabilities of bound nucleons; nucleon polarizability in free space and in nuclear matter; mechanisms of photon scattering on nucleons at intermediate energies; pion polarizabilities in chiral perturbation theory; pion polarizabilities and the shielding of σ(700)-meson exchange in γγ→ππ processes; pion and kaon polarizabilities in the quark confinement model; radiative pion photoproduction and pion polarizabilities; pion and sigma polarizabilities and radiative transitions; the quadrupole amplitude in the γΝ-Δ transition; pion photoproduction and the γΝ-Δ amplitudes; effective- lagrangians, Watson's theorem, and the E2/M1 mixing ratio in the excitation of the delta resonance; new measurements of the p(rvec γ, π o ) reaction; multipole analyses and photo-decay couplings at intermediate energies; compton scattering off the proton; connections between compton scattering and pion photoproduction in the delta region; single-pion electroproduction and the transverse one-half and scalar helicity transition form factors; relativistic effects, QCD mixing angles, and Ν → Νγ and Δ → γΝ transition form factors; electroproduction studies of the Ν → Δ transition at bates and CEBAF

  6. Electron impact excitation of positive ions calculated in the Coulomb-Born approximation

    International Nuclear Information System (INIS)

    Nakazaki, Shinobu; Hashino, Tasuke

    1979-08-01

    Theoretical results on the electron impact excitation of positive ions are surveyed through the end of 1978. As a guide to the available data, a list of references is made. The list shows ion species, transitions, energy range and methods of calculation for the respective data. Based on the literature survey, the validity of the Coulomb-Born approximation is investigated. Comparisons with the results of the close-coupling and the distorted-wave methods are briefly summarized. (author)

  7. Beyond y and μ: the shape of the CMB spectral distortions in the intermediate epoch, 1.5 × 104∼5

    International Nuclear Information System (INIS)

    Khatri, Rishi; Sunyaev, Rashid A.

    2012-01-01

    We calculate numerical solutions and analytic approximations for the intermediate-type spectral distortions. Detection of a μ-type distortion (saturated comptonization) in the CMB will constrain the time of energy injection to be at a redshift 2 × 10 6 ∼>z∼>2 × 10 5 , while a detection of a y-type distortion (minimal comptonization) will mean that there was heating of CMB at redshift z∼ 4 . We point out that the partially comptonized spectral distortions, generated in the redshift range 1.5 × 10 4 ∼ 5 , are much richer in information than the pure y and μ-type distortions. The spectrum created during this period is intermediate between y and μ-type distortions and depends sensitively on the redshift of energy injection. These intermediate-type distortions cannot be mimicked by a mixture of y and μ-type distortions at all frequencies and vice versa. The measurement of these intermediate-type CMB spectral distortions has the possibility to constrain precisely not only the amount of energy release in the early Universe but also the mechanism, for example, particle annihilation and Silk damping can be distinguished from particle decay. The intermediate-type distortion templates and software code using these templates to calculate the CMB spectral distortions for user-defined energy injection rate is made publicly available

  8. Critique of the Brownian approximation to the generalized Langevin equation in lattice dynamics

    International Nuclear Information System (INIS)

    Diestler, D.J.; Riley, M.E.

    1985-01-01

    We consider the classical motion of a harmonic lattice in which only those atoms in a certain subset of the lattice (primary zone) may interact with an external force. The formally exact generalized Langevin equation (GLE) for the primary zone is an appropriate description of the dynamics. We examine a previously proposed Brownian, or frictional damping, approximation that reduces the GLE to a set of coupled ordinary Langevin equations for the primary atoms. It is shown that the solution of these equations can contain undamped motion if there is more than one atom in the primary zone. Such motion is explicitly demonstrated for a model that has been used to describe energy transfer in atom--surface collisions. The inability of the standard Brownian approximation to yield an acceptable, physically meaningful result for primary zones comprising more than one atom suggests that the Brownian approximation may introduce other spurious dynamical effects. Further work on damping of correlated motion in lattices is needed

  9. Iteratively-coupled propagating exterior complex scaling method for electron-hydrogen collisions

    International Nuclear Information System (INIS)

    Bartlett, Philip L; Stelbovics, Andris T; Bray, Igor

    2004-01-01

    A newly-derived iterative coupling procedure for the propagating exterior complex scaling (PECS) method is used to efficiently calculate the electron-impact wavefunctions for atomic hydrogen. An overview of this method is given along with methods for extracting scattering cross sections. Differential scattering cross sections at 30 eV are presented for the electron-impact excitation to the n = 1, 2, 3 and 4 final states, for both PECS and convergent close coupling (CCC), which are in excellent agreement with each other and with experiment. PECS results are presented at 27.2 eV and 30 eV for symmetric and asymmetric energy-sharing triple differential cross sections, which are in excellent agreement with CCC and exterior complex scaling calculations, and with experimental data. At these intermediate energies, the efficiency of the PECS method with iterative coupling has allowed highly accurate partial-wave solutions of the full Schroedinger equation, for L ≤ 50 and a large number of coupled angular momentum states, to be obtained with minimal computing resources. (letter to the editor)

  10. Approximate symmetries of Hamiltonians

    Science.gov (United States)

    Chubb, Christopher T.; Flammia, Steven T.

    2017-08-01

    We explore the relationship between approximate symmetries of a gapped Hamiltonian and the structure of its ground space. We start by considering approximate symmetry operators, defined as unitary operators whose commutators with the Hamiltonian have norms that are sufficiently small. We show that when approximate symmetry operators can be restricted to the ground space while approximately preserving certain mutual commutation relations. We generalize the Stone-von Neumann theorem to matrices that approximately satisfy the canonical (Heisenberg-Weyl-type) commutation relations and use this to show that approximate symmetry operators can certify the degeneracy of the ground space even though they only approximately form a group. Importantly, the notions of "approximate" and "small" are all independent of the dimension of the ambient Hilbert space and depend only on the degeneracy in the ground space. Our analysis additionally holds for any gapped band of sufficiently small width in the excited spectrum of the Hamiltonian, and we discuss applications of these ideas to topological quantum phases of matter and topological quantum error correcting codes. Finally, in our analysis, we also provide an exponential improvement upon bounds concerning the existence of shared approximate eigenvectors of approximately commuting operators under an added normality constraint, which may be of independent interest.

  11. Single electron capture differential cross section in H+ + He collisions at intermediate and high collision energies

    International Nuclear Information System (INIS)

    Abufager, P N; Fainstein, P D; MartInez, A E; Rivarola, R D

    2005-01-01

    The generalized continuum distorted wave-eikonal initial state (CDW-EIS II) approximation is employed to study differential cross sections (DCS) for single electron capture in H + + He collisions at intermediate and high energies. Present results are compared with theoretical calculations obtained using the previous CDW-EIS formulation in order to show the importance of the description of the bound and continuum target states in the entrance and exit channels, respectively. Both DCS are also shown together with other theoretical results and with experimental data

  12. Interplay between one-body and two-body dynamics in the subthreshold pion production at intermediate energies

    International Nuclear Information System (INIS)

    Cassing, W.

    1984-12-01

    The role of the time-dependent mean field in subthreshold pion production by first chance nucleon-nucleon collisions is studied for heavy-ion reactions at intermediate energies in a finite two-center shell model. It is found that the energy distribution of the nucleons for overlapping ions can roughly be approximated by shifted groundstate momentum distributions using a quasi-free dispersion relation. The absolute cross sections for the production of neutron pions can be reproduced from 35 MeV/u to 150 MeV/u. (orig.)

  13. Reservoir Modeling by Data Integration via Intermediate Spaces and Artificial Intelligence Tools in MPS Simulation Frameworks

    International Nuclear Information System (INIS)

    Ahmadi, Rouhollah; Khamehchi, Ehsan

    2013-01-01

    Conditioning stochastic simulations are very important in many geostatistical applications that call for the introduction of nonlinear and multiple-point data in reservoir modeling. Here, a new methodology is proposed for the incorporation of different data types into multiple-point statistics (MPS) simulation frameworks. Unlike the previous techniques that call for an approximate forward model (filter) for integration of secondary data into geologically constructed models, the proposed approach develops an intermediate space where all the primary and secondary data are easily mapped onto. Definition of the intermediate space, as may be achieved via application of artificial intelligence tools like neural networks and fuzzy inference systems, eliminates the need for using filters as in previous techniques. The applicability of the proposed approach in conditioning MPS simulations to static and geologic data is verified by modeling a real example of discrete fracture networks using conventional well-log data. The training patterns are well reproduced in the realizations, while the model is also consistent with the map of secondary data

  14. Reservoir Modeling by Data Integration via Intermediate Spaces and Artificial Intelligence Tools in MPS Simulation Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Ahmadi, Rouhollah, E-mail: rouhollahahmadi@yahoo.com [Amirkabir University of Technology, PhD Student at Reservoir Engineering, Department of Petroleum Engineering (Iran, Islamic Republic of); Khamehchi, Ehsan [Amirkabir University of Technology, Faculty of Petroleum Engineering (Iran, Islamic Republic of)

    2013-12-15

    Conditioning stochastic simulations are very important in many geostatistical applications that call for the introduction of nonlinear and multiple-point data in reservoir modeling. Here, a new methodology is proposed for the incorporation of different data types into multiple-point statistics (MPS) simulation frameworks. Unlike the previous techniques that call for an approximate forward model (filter) for integration of secondary data into geologically constructed models, the proposed approach develops an intermediate space where all the primary and secondary data are easily mapped onto. Definition of the intermediate space, as may be achieved via application of artificial intelligence tools like neural networks and fuzzy inference systems, eliminates the need for using filters as in previous techniques. The applicability of the proposed approach in conditioning MPS simulations to static and geologic data is verified by modeling a real example of discrete fracture networks using conventional well-log data. The training patterns are well reproduced in the realizations, while the model is also consistent with the map of secondary data.

  15. Time-dependent Hartree approximation and time-dependent harmonic oscillator model

    International Nuclear Information System (INIS)

    Blaizot, J.P.

    1982-01-01

    We present an analytically soluble model for studying nuclear collective motion within the framework of the time-dependent Hartree (TDH) approximation. The model reduces the TDH equations to the Schroedinger equation of a time-dependent harmonic oscillator. Using canonical transformations and coherent states we derive a few properties of the time-dependent harmonic oscillator which are relevant for applications. We analyse the role of the normal modes in the time evolution of a system governed by TDH equations. We show how these modes couple together due to the anharmonic terms generated by the non-linearity of the theory. (orig.)

  16. Time-reversal invariance in multiple collisions between coupled masses

    International Nuclear Information System (INIS)

    Crawford, F.S.

    1989-01-01

    The time evolution of two mechanical oscillators coupled by a spring can (but need not) exhibit an instant t = 2t' when the initial conditions at t = 0 have been exactly restored. When that is the case, then at t = t' energy and momentum have been exchanged exactly as in an elastic collision between two free particles, and the evolution of the system from t = t' to 2t' is related to that from 0 to t' by time-reversal invariance. A similar ''simulation of elastic scattering'' at t = t' can occur for two free particles coupled via collisions with an intermediary mass that bounces back and forth between the two particles provided the intermediary is left at rest at t = t'. Examined here is the time evolution of the exchange of momentum and energy for these two examples, determining the values of the coupling spring constant (or mass value) of the intermediating spring (or mass) needed to simulate single elastic scattering between free particles, and looking at the manifestation of time-reversal invariance

  17. A coupled-cluster study of photodetachment cross sections of closed-shell anions

    Science.gov (United States)

    Cukras, Janusz; Decleva, Piero; Coriani, Sonia

    2014-11-01

    We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H-, Li-, Na-, F-, Cl-, and OH-. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

  18. C-C Coupling on Single-Atom-Based Heterogeneous Catalyst.

    Science.gov (United States)

    Zhang, Xiaoyan; Sun, Zaicheng; Wang, Bin; Tang, Yu; Nguyen, Luan; Li, Yuting; Tao, Franklin Feng

    2018-01-24

    Compared to homogeneous catalysis, heterogeneous catalysis allows for ready separation of products from the catalyst and thus reuse of the catalyst. C-C coupling is typically performed on a molecular catalyst which is mixed with reactants in liquid phase during catalysis. This homogeneous mixing at a molecular level in the same phase makes separation of the molecular catalyst extremely challenging and costly. Here we demonstrated that a TiO 2 -based nanoparticle catalyst anchoring singly dispersed Pd atoms (Pd 1 /TiO 2 ) is selective and highly active for more than 10 Sonogashira C-C coupling reactions (R≡CH + R'X → R≡R'; X = Br, I; R' = aryl or vinyl). The coupling between iodobenzene and phenylacetylene on Pd 1 /TiO 2 exhibits a turnover rate of 51.0 diphenylacetylene molecules per anchored Pd atom per minute at 60 °C, with a low apparent activation barrier of 28.9 kJ/mol and no cost of catalyst separation. DFT calculations suggest that the single Pd atom bonded to surface lattice oxygen atoms of TiO 2 acts as a site to dissociatively chemisorb iodobenzene to generate an intermediate phenyl, which then couples with phenylacetylenyl bound to a surface oxygen atom. This coupling of phenyl adsorbed on Pd 1 and phenylacetylenyl bound to O ad of TiO 2 forms the product molecule, diphenylacetylene.

  19. Hierarchical and successive approximate registration of the non-rigid medical image based on thin-plate splines

    Science.gov (United States)

    Hu, Jinyan; Li, Li; Yang, Yunfeng

    2017-06-01

    The hierarchical and successive approximate registration method of non-rigid medical image based on the thin-plate splines is proposed in the paper. There are two major novelties in the proposed method. First, the hierarchical registration based on Wavelet transform is used. The approximate image of Wavelet transform is selected as the registered object. Second, the successive approximation registration method is used to accomplish the non-rigid medical images registration, i.e. the local regions of the couple images are registered roughly based on the thin-plate splines, then, the current rough registration result is selected as the object to be registered in the following registration procedure. Experiments show that the proposed method is effective in the registration process of the non-rigid medical images.

  20. Geometric approximation algorithms

    CERN Document Server

    Har-Peled, Sariel

    2011-01-01

    Exact algorithms for dealing with geometric objects are complicated, hard to implement in practice, and slow. Over the last 20 years a theory of geometric approximation algorithms has emerged. These algorithms tend to be simple, fast, and more robust than their exact counterparts. This book is the first to cover geometric approximation algorithms in detail. In addition, more traditional computational geometry techniques that are widely used in developing such algorithms, like sampling, linear programming, etc., are also surveyed. Other topics covered include approximate nearest-neighbor search, shape approximation, coresets, dimension reduction, and embeddings. The topics covered are relatively independent and are supplemented by exercises. Close to 200 color figures are included in the text to illustrate proofs and ideas.

  1. Associations of Systemic Diseases with Intermediate Uveitis.

    Science.gov (United States)

    Shoughy, Samir S; Kozak, Igor; Tabbara, Khalid F

    2016-01-01

    To determine the associations of systemic diseases with intermediate uveitis. The medical records of 50 consecutive cases with intermediate uveitis referred to The Eye Center in Riyadh, Saudi Arabia, were reviewed. Age- and sex-matched patients without uveitis served as controls. Patients had complete ophthalmic and medical examinations. There were 27 male and 23 female patients. Mean age was 29 years with a range of 5-62 years. Overall, 21 cases (42%) had systemic disorders associated with intermediate uveitis and 29 cases (58%) had no associated systemic disease. A total of 11 patients (22%) had asthma, 4 (8%) had multiple sclerosis, 3 (6%) had presumed ocular tuberculosis, 1 (2%) had inflammatory bowel disease, 1 (2%) had non-Hodgkin lymphoma and 1 (2%) had sarcoidosis. Evidence of systemic disease was found in 50 (5%) of the 1,000 control subjects. Bronchial asthma was found in 37 patients (3.7 %), multiple sclerosis in 9 patients (0.9%), inflammatory bowel disease in 3 patients (0.3%), and tuberculosis in 1 patient (0.1%). None of the control patients had sarcoidosis or lymphoma. There were statistically significant associations between intermediate uveitis and bronchial asthma (p = 0.0001), multiple sclerosis (p = 0.003) and tuberculosis (p = 0.0005). Bronchial asthma and multiple sclerosis were the most frequently encountered systemic diseases associated with intermediate uveitis in our patient population. Patients with intermediate uveitis should undergo careful history-taking and investigations to rule out associated systemic illness.

  2. Diagnostic Accuracy of Digital and Conventional Radiography in the Detection of Non-Cavitated Approximal Dental Caries

    International Nuclear Information System (INIS)

    Abesi, F.; Mirshekar, A.; Moudi, E.; Seyedmajidi, M.; Haghanifar, S.; Haghighat, N.; Bijani, A.

    2012-01-01

    Radiography plays an important role in the detection of interproximal caries. The aim of the present study was to determine diagnostic accuracy of charge coupled devices, Photo Stimulable Phosphor and film radiography in detecting non-cavitated caries. Seventy-two non-cavitated approximal surfaces of extracted human posterior teeth were radiographed under standardized conditions using three intraoral modalities: charge coupled devices Dixi3 (Planmeca, Finland), PSP Digora PCT (Soredex, Finland), and E-speed film (Kodak, USA). Radiographs were interpreted by four observers and caries lesions were classified as sound (R0), restricted to enamel (R1), reaching the dentinoenamel junction and the outer half of the dentin (R2) and the inner half of the dentin (R3). The teeth were subsequently sectioned for histological analysis which served as the gold standard for radiographic examination. Microscopic examinations showed that the distribution of caries were 63.9% sound, 18.1% enamel, 9.7% dentinoenamel junction and outer half of the dentin and 8.3% into the inner half of the dentin. The sensitivity and specificity of film, charge coupled devices and Photo Stimulable Phosphor for the detection of enamel caries were 38% and 98%; 15% and 96%; and 23% and 98%, respectively. The sensitivity and specificity of film, charge coupled devices and Photo Stimulable Phosphor for the detection of both dentin and enamel caries were 55% and 100%; 45% and 100% ; and 55% and 100%, respectively. The results demonstrated that the diagnostic accuracy of digital images is similar to that of conventional film radiography in the detection of non-cavitated approximal caries.

  3. Carrier behavior in special multilayer device composed of different transition metal oxide-based intermediate connectors

    International Nuclear Information System (INIS)

    Deng, Yan-Hong; Chen, Xiang-Yu; Ou, Qing-Dong; Wang, Qian-Kun; Jiang, Xiao-Cheng; Zhang, Dan-Dan; Li, Yan-Qing

    2014-01-01

    The impact of illumination on the connection part of the tandem organic light-emitting diodes was studied by using a special organic multilayer sample consisted of two organic active layers coupled with different transition metal oxide (TMO)-based intermediate connectors (ICs). Through measuring the current density-voltage characteristic, interfacial electronic structures, and capacitance-voltage characteristic, we observe an unsymmetrical phenomenon in current density-voltage and capacitance-voltage curves of Mg:Alq 3 /MoO 3 and MoO 3 composed devices, which was induced by the charge spouting zone near the ICs region and the recombination state in the MoO 3 layer. Moreover, Mg:Alq 3 /MoO 3 composed device displays a photovoltaic effect and the V oc shifts to forward bias under illumination. Our results demonstrate that the TMO-based IC structure coupled with photovoltaic effect can be a good approach for the study of photodetector, light sensor, and so on.

  4. Relativistic Random-Phase Approximation with Density-dependent Meson-nucleon Couplings at Finite Temperature

    International Nuclear Information System (INIS)

    Niu, Y.; Paar, N.; Vretenar, D.; Meng, J.

    2009-01-01

    The fully self-consistent relativistic random-phase approximation (RRPA) framework based on effective interactions with a phenomenological density dependence is extended to finite temperatures. The RRPA configuration space is built from the spectrum of single-nucleon states at finite temperature obtained by the temperature dependent relativistic mean field (RMF-T) theory based on effective Lagrangian with density dependent meson-nucleon vertex functions. As an illustration, the dependence of binding energy, radius, entropy and single particle levels on temperature for spherical nucleus 2 08P b is investigated in RMF-T theory. The finite temperature RRPA has been employed in studies of giant monopole and dipole resonances, and the evolution of resonance properties has been studied as a function of temperature. In addition, exotic modes of excitation have been systematically explored at finite temperatures, with an emphasis on the case of pygmy dipole resonances.(author)

  5. Improved theoretical approximation for the ion drag force in collisionless plasma with strong ion-grain coupling

    International Nuclear Information System (INIS)

    Khrapak, S. A.; Nosenko, V.; Morfill, G. E.; Merlino, R.

    2009-01-01

    We point out a deficiency in our previous analytic calculation of the ion drag force for conditions of the experiment by Nosenko et al. [Phys. Plasmas 14, 103702 (2007)]. An inaccurate approximation is corrected and the ion drag force is recalculated. The improved model yields better overall agreement with the experimental results as compared to the original calculation.

  6. Coupled full core neutron transport/CFD simulations of pressurized water reactors

    International Nuclear Information System (INIS)

    Kochunas, B.; Stimpson, S.; Collins, B.; Downar, T.; Brewster, R.; Baglietto, E.; Yan, J.

    2012-01-01

    Recently as part of the CASL project, a capability to perform 3D whole-core coupled neutron transport and computational fluid dynamics (CFD) calculations was demonstrated. This work uses the 2D/1D transport code DeCART and the commercial CFD code STAR-CCM+. It builds on previous CASL work demonstrating coupling for smaller spatial domains. The coupling methodology is described along with the problem simulated and results are presented for fresh hot full power conditions. An additional comparison is made to an equivalent model that uses lower order T/H feedback to assess the importance and cost of high fidelity feedback to the neutronics problem. A simulation of a quarter core Combustion Engineering (CE) PWR core was performed with the coupled codes using a Fixed Point Gauss-Seidel iteration technique. The total approximate calculation requirements are nearly 10,000 CPU hours and 1 TB of memory. The problem took 6 coupled iterations to converge. The CFD coupled model and low order T/H feedback model compared well for global solution parameters, with a difference in the critical boron concentration and average outlet temperature of 14 ppm B and 0.94 deg. C, respectively. Differences in the power distribution were more significant with maximum relative differences in the core-wide pin peaking factor (Fq) of 5.37% and average relative differences in flat flux region power of 11.54%. Future work will focus on analyzing problems more relevant to CASL using models with less approximations. (authors)

  7. A new kinetic description for turbulent collisions including mode-coupling

    International Nuclear Information System (INIS)

    Misguich, J.H.; Tchen, C.M.

    1982-07-01

    The usual introduction of higher-order mode-coupling terms in the description of turbulent collisions beyond usual Renormalized Quasi-Linear approximation (RQL) is briefly analyzed. Here new results are derived in the framework of the general kinetic theory, and the equivalence is proved with the long time limit of simple results deduced from the Vlasov equation. The correction to the RQL turbulent collision term is analyzed and a new approximation is proposed. Turbulent collisions are also described by perturbation around the Lagrangian autocorrelation of fluctuating fields. For an homogeneous turbulence, however, the asymptotic integral of this Lagrangian autocorrelation vanishes identically, similarly to what occurs in Brownian motion. For inhomogeneous turbulence this method can nevertheless be used, and higher-order mode-coupling terms can be interpreted as a shielding of elementary Lagrangian turbulent collisions

  8. The solar wind-magentosphere energy coupling and magnetospheric disturbances

    International Nuclear Information System (INIS)

    Akasofu, S.I.

    1980-01-01

    The recent finding of the solar wind-magnetosphere energy coupling function epsilon has advanced significantly our understanding of magnetosphere disturbances. It is shown that the magnetosphere-ionosphere coupling system responds somewhat differently to three different input energy flux levels of epsilon. As epsilon increases from 17 erg s -1 to >10 19 erg s -1 , typical responses of the magnetosphere-ionosphere coupling system are: (1) epsilon 17 erg s -1 : an enhancement of the Ssub(q)sup(p), etc. (2) epsilon approximately 10 18 erg s -1 : substorm onset. (3) 10 18 erg s -1 19 erg s -1 : a typical substorm. (4) epsilon >10 19 erg s -1 : an abnormal growth of the ring current belt, resulting in a magnetospheric storm. It is stressed that the magnetospheric substorm results as a direct response of the magnetosphere to a rise and fall of epsilon above approximately 10 18 erg s -1 , so that it is not caused by a sudden conversion of magnetic energy accumulated prior to substorm onset. The variety of the development of the main phase of geomagnetic storms is also primarily controlled by epsilon. (author)

  9. Sparse approximation with bases

    CERN Document Server

    2015-01-01

    This book systematically presents recent fundamental results on greedy approximation with respect to bases. Motivated by numerous applications, the last decade has seen great successes in studying nonlinear sparse approximation. Recent findings have established that greedy-type algorithms are suitable methods of nonlinear approximation in both sparse approximation with respect to bases and sparse approximation with respect to redundant systems. These insights, combined with some previous fundamental results, form the basis for constructing the theory of greedy approximation. Taking into account the theoretical and practical demand for this kind of theory, the book systematically elaborates a theoretical framework for greedy approximation and its applications.  The book addresses the needs of researchers working in numerical mathematics, harmonic analysis, and functional analysis. It quickly takes the reader from classical results to the latest frontier, but is written at the level of a graduate course and do...

  10. Approximated calculation of the vacuum wave function and vacuum energy of the LGT with RPA method

    International Nuclear Information System (INIS)

    Hui Ping

    2004-01-01

    The coupled cluster method is improved with the random phase approximation (RPA) to calculate vacuum wave function and vacuum energy of 2 + 1 - D SU(2) lattice gauge theory. In this calculating, the trial wave function composes of single-hollow graphs. The calculated results of vacuum wave functions show very good scaling behaviors at weak coupling region l/g 2 >1.2 from the third order to the sixth order, and the vacuum energy obtained with RPA method is lower than the vacuum energy obtained without RPA method, which means that this method is a more efficient one

  11. Native-language phonetic and phonological influences on perception of American English approximants by Danish and German listeners

    DEFF Research Database (Denmark)

    Bohn, Ocke-Schwen; Best, Catherine T.

    2012-01-01

    / but lack /w/, thus employing /r/-/l/ but lacking /w/-/j/ and /w/-/r/ as phonological contrasts. However, while the three languages realize /j/ identically, Danish/German “light” alveolar [l] differ modestly from English “velarized” [ɫ], Danish pharyngeal and labiodental approximant realizations of /r, v......, but discrimination was poorer than English and Danish listeners for /w/-/r/ and /r/-/l/, and intermediate for /w/-/j/. Thus, cross-language phonetic relationships among “the same” (or neighboring) phonemes strongly influence perception. These findings, together with systemic consideration of English, Danish...

  12. On the electrostatics of DNA in chromatin

    Directory of Open Access Journals (Sweden)

    Klemen Bohinc

    2016-02-01

    Full Text Available We examine the interaction between DNA molecules immersed in an aqueous solution of oppositely charged, trivalent spermidine molecules. The DNA molecules are modeled as planar, likecharged surfaces immersed in an aqueous solution of multivalent, rod-like ions consisting of rigidly bonded point charges. An approximate field theory is used to determine the properties of this system from the weak to the intermediate through to the strong coupling regimes. In the weak coupling limit, the interaction between the charged surfaces is only repulsive, whereas in the intermediate coupling regime, the rod-like ions with spatial charge distribution can induce attractive force between the charged surfaces. In the strong coupling limit, the inter-ionic charge correlations induce attractive interaction at short separations between the surfaces. This theoretical study can give new insights in the problem of interaction between DNA molecules mediated by trivalent spermidine molecules.

  13. Sensitivity of relativistic impulse approximation proton-nucleus elastic scattering calculations on relativistic mean-field parameterizations

    International Nuclear Information System (INIS)

    Hojsik, M.; Gmuca, S.

    1998-01-01

    Relativistic microscopic calculations are presented for proton elastic scattering from 40 Ca at 500 MeV. The underlying target densities are calculated within the framework of the relativistic mean-field theory with several parameter sets commonly in use. The self consistency of the scalar and vector densities (and thus to relativistic mean-field parameters) is investigated. Recently, the relativistic impulse approximation (RIA) has been widely and repeatedly used for the calculations of proton-nucleus scattering at intermediate energies. These calculations have exhibited significant improvements over the nonrelativistic approaches. The relativistic impulse approximation calculations. in particular, provide a dramatically better description of the spin observables, namely the analyzing power, A y , and the spin-rotation function, Q, at least for energies higher than 400 MeV. In the relativistic impulse approximation, the Dirac optical potential is obtained by folding of the local Lorentz-invariant amplitudes with the corresponding nuclear densities. For the spin zero targets the scalar and vector terms give the dominant contributions. Thus the scalar and vector nuclear densities (both, proton and neutron ones) play the dominant role in the relativistic impulse approximation. While the proton vector densities can be obtained by unfolding from the empirically known charge densities, all other densities used rely to a great extent on theoretical models. The various recipes are used to construct the neutron vector densities and the scalar densities for both, neutrons and protons. In this paper we will study the sensitivity of the relativistic impulse approximation results on the various sets of relativistic mean-field parameters currently in use

  14. Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

    Science.gov (United States)

    Belkić, Dževad

    1999-06-01

    Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/ dΩ for the basic charge exchange process H ++H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Pad

  15. Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

    International Nuclear Information System (INIS)

    Belkic, Dzevad

    1999-01-01

    Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/dΩ for the basic charge exchange process H + +H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Pade

  16. A coupled-cluster study of photodetachment cross sections of closed-shell anions

    International Nuclear Information System (INIS)

    Cukras, Janusz; Decleva, Piero; Coriani, Sonia

    2014-01-01

    We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H − , Li − , Na − , F − , Cl − , and OH − . The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species

  17. Validity of the Aluminum Equivalent Approximation in Space Radiation Shielding

    Science.gov (United States)

    Badavi, Francis F.; Adams, Daniel O.; Wilson, John W.

    2009-01-01

    The origin of the aluminum equivalent shield approximation in space radiation analysis can be traced back to its roots in the early years of the NASA space programs (Mercury, Gemini and Apollo) wherein the primary radiobiological concern was the intense sources of ionizing radiation causing short term effects which was thought to jeopardize the safety of the crew and hence the mission. Herein, it is shown that the aluminum equivalent shield approximation, although reasonably well suited for that time period and to the application for which it was developed, is of questionable usefulness to the radiobiological concerns of routine space operations of the 21 st century which will include long stays onboard the International Space Station (ISS) and perhaps the moon. This is especially true for a risk based protection system, as appears imminent for deep space exploration where the long-term effects of Galactic Cosmic Ray (GCR) exposure is of primary concern. The present analysis demonstrates that sufficiently large errors in the interior particle environment of a spacecraft result from the use of the aluminum equivalent approximation, and such approximations should be avoided in future astronaut risk estimates. In this study, the aluminum equivalent approximation is evaluated as a means for estimating the particle environment within a spacecraft structure induced by the GCR radiation field. For comparison, the two extremes of the GCR environment, the 1977 solar minimum and the 2001 solar maximum, are considered. These environments are coupled to the Langley Research Center (LaRC) deterministic ionized particle transport code High charge (Z) and Energy TRaNsport (HZETRN), which propagates the GCR spectra for elements with charges (Z) in the range I aluminum equivalent approximation for a good polymeric shield material such as genetic polyethylene (PE). The shield thickness is represented by a 25 g/cm spherical shell. Although one could imagine the progression to greater

  18. Nd break-up process with considering 3NF at intermediate energies in a 3D approach

    Energy Technology Data Exchange (ETDEWEB)

    Radin, M., E-mail: harzchi@kntu.ac.ir; Ghasemi, H.

    2016-01-15

    In this work we have applied a three-dimensional approach to solve the three-nucleon Faddeev equation in the Jacobi momenta space. To this end, we have considered the inhomogeneous part of the Faddeev equation as an appropriate approximation for projectile intermediate energies. As an application the Bonn-B and the Tucson–Melbourne two- and three-nucleon forces have been used for calculating the differential cross section for proton–deuteron break-up process. Finally, comparing our results with the experimental data has been performed for 197 MeV and 346 MeV projectile energies.

  19. Mechanical behaviour of PWR fuel rods during intermediate storage

    International Nuclear Information System (INIS)

    Bouffioux, P.; Dalmas, R.; Bernaudat, C.

    2000-01-01

    EDF, which owns the irradiated fuel coming from its NPPs, has initiated studies regarding the mechanical behaviour of a fuel rod and the integrity of its cladding, in the case where the spent fuel is stored for a significant duration. During the phases following in-reactor irradiation (ageing in a water-pool, transport and intermediate storage), many phenomena, which are strongly coupled, may influence the cladding integrity: - residual power and temperature decay; - helium production and release in the free volume of the rod (especially for MOX fuel); - fuel column swelling; - cladding creep-out under the inner gas pressure of the fuel rod; - metallurgical changes due to high temperatures during transportation. In parallel, the quantification of the radiological risk is based on the definition of a cladding integrity criterion. Up to now, this criterion requires that the clad hoop strain due to creep-out does not exceed 1%. A more accurate criterion is being investigated. The study and modelling of all the phenomena mentioned above are included in a R and D programme. This programme also aims at redefining the cladding integrity criterion, which is assumed to be too conservative. The R and D programme will be presented. In order to predict the overall behaviour of the rod during the intermediate storage phases, the AVACYC code has been developed. It includes the models developed in the R and D programme. The input data of the AVACYC code are provided by the results of in-reactor rod behaviour simulations, using the thermal-mechanical CYRANO3 code. Its main results are the evolution vs. time of hoop stresses in the cladding, rod internal pressure and cladding hoop strains. Chained CYRANO-AVACYC calculations have been used to simulate the behaviour of MOX fuel rods irradiated up to 40 GWd/t and stored under air during 100 years, or under water during 50 years. For such fuels, where the residual power remains high, we show that a large part of the cladding strain

  20. Phase integral approximation for coupled ordinary differential equations of the Schroedinger type

    International Nuclear Information System (INIS)

    Skorupski, Andrzej A.

    2008-01-01

    Four generalizations of the phase integral approximation (PIA) to sets of ordinary differential equations of Schroedinger type [u j '' (x)+Σ k=1 N R jk (x)u k (x)=0, j=1,2,...,N] are described. The recurrence relations for higher order corrections are given in a form valid to arbitrary order and for the matrix R(x)[≡(R jk (x))] either Hermitian or non-Hermitian. For Hermitian and negative definite R(x) matrices, a Wronskian conserving PIA theory is formulated, which generalizes Fulling's current conserving theory pertinent to positive definite R(x) matrices. The idea of a modification of the PIA, which is well known for one equation [u '' (x)+R(x)u(x)=0], is generalized to sets. A simplification of Wronskian or current conserving theories is proposed which in each order eliminates one integration from the formulas for higher order corrections. If the PIA is generated by a nondegenerate eigenvalue of the R(x) matrix, the eliminated integration is the only one present. In that case, the simplified theory becomes fully algorithmic and is generalized to non-Hermitian R(x) matrices. The general theory is illustrated by a few examples automatically generated by using the author's program in MATHEMATICA published in e-print arXiv:0710.5406 [math-ph

  1. The Bekenstein bound in strongly coupled O(N) scalar field theory

    International Nuclear Information System (INIS)

    Magalhaes, T. Santos; Svaiter, N.F.; Menezes, G.

    2009-09-01

    We discuss the O(N) self-interacting scalar field theory, in the strong-coupling regime and also in the limit of large N. Considering that the system is in thermal equilibrium with a reservoir at temperature β -1 , we assume the presence of macroscopic boundaries conning the field in a hypercube of side L. Using the strong-coupling perturbative expansion, we generalize previous results, i.e., we obtain the renormalized mean energy E and entropy S for the system in rst order of the strong-coupling perturbative expansion, presenting an analytical proof that the specific entropy also satisfies in some situations a quantum bound. When considering the low temperature behavior of the specific entropy, the sign of the renormalized zero-point energy can invalidate this quantum bound. If the renormalized zero point-energy is a positive quantity, at intermediate temperatures and in the low temperature limit, there is a quantum bound. (author)

  2. Assaying Oxidative Coupling Activity of CYP450 Enzymes.

    Science.gov (United States)

    Agarwal, Vinayak

    2018-01-01

    Cytochrome P450 (CYP450) enzymes are ubiquitous catalysts in natural product biosynthetic schemes where they catalyze numerous different transformations using radical intermediates. In this protocol, we describe procedures to assay the activity of a marine bacterial CYP450 enzyme Bmp7 which catalyzes the oxidative radical coupling of polyhalogenated aromatic substrates. The broad substrate tolerance of Bmp7, together with rearrangements of the aryl radical intermediates leads to a large number of products to be generated by the enzymatic action of Bmp7. The complexity of the product pool generated by Bmp7 thus presents an analytical challenge for structural elucidation. To address this challenge, we describe mass spectrometry-based procedures to provide structural insights into aryl crosslinked products generated by Bmp7, which can complement subsequent spectroscopic experiments. Using the procedures described here, for the first time, we show that Bmp7 can efficiently accept polychlorinated aryl substrates, in addition to the physiological polybrominated substrates for the biosynthesis of polyhalogenated marine natural products. © 2018 Elsevier Inc. All rights reserved.

  3. Similarity-transformed equation-of-motion vibrational coupled-cluster theory

    Science.gov (United States)

    Faucheaux, Jacob A.; Nooijen, Marcel; Hirata, So

    2018-02-01

    A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

  4. Isoporphyrin Intermediate in Heme Oxygenase Catalysis

    Science.gov (United States)

    Evans, John P.; Niemevz, Fernando; Buldain, Graciela; de Montellano, Paul Ortiz

    2008-01-01

    Human heme oxygenase-1 (hHO-1) catalyzes the O2- and NADPH-dependent oxidation of heme to biliverdin, CO, and free iron. The first step involves regiospecific insertion of an oxygen atom at the α-meso carbon by a ferric hydroperoxide and is predicted to proceed via an isoporphyrin π-cation intermediate. Here we report spectroscopic detection of a transient intermediate during oxidation by hHO-1 of α-meso-phenylheme-IX, α-meso-(p-methylphenyl)-mesoheme-III, and α-meso-(p-trifluoromethylphenyl)-mesoheme-III. In agreement with previous experiments (Wang, J., Niemevz, F., Lad, L., Huang, L., Alvarez, D. E., Buldain, G., Poulos, T. L., and Ortiz de Montellano, P. R. (2004) J. Biol. Chem. 279, 42593–42604), only the α-biliverdin isomer is produced with concomitant formation of the corresponding benzoic acid. The transient intermediate observed in the NADPH-P450 reductase-catalyzed reaction accumulated when the reaction was supported by H2O2 and exhibited the absorption maxima at 435 and 930 nm characteristic of an isoporphyrin. Product analysis by reversed phase high performance liquid chromatography and liquid chromatography electrospray ionization mass spectrometry of the product generated with H2O2 identified it as an isoporphyrin that, on quenching, decayed to benzoylbiliverdin. In the presence of H218O2, one labeled oxygen atom was incorporated into these products. The hHO-1-isoporphyrin complexes were found to have half-lives of 1.7 and 2.4 h for the p-trifluoromethyl- and p-methyl-substituted phenylhemes, respectively. The addition of NADPH-P450 reductase to the H2O2-generated hHO-1-isoporphyrin complex produced α-biliverdin, confirming its role as a reaction intermediate. Identification of an isoporphyrin intermediate in the catalytic sequence of hHO-1, the first such intermediate observed in hemoprotein catalysis, completes our understanding of the critical first step of heme oxidation. PMID:18487208

  5. Connection between strong and weak coupling in the mean spherical model in 1 + 1 dimensions

    International Nuclear Information System (INIS)

    Banks, J.L.

    1980-01-01

    I extend the strong-coupling expansion obtained by Srednicki, for the β-function of the mean spherical model in 1 + 1 dimensions, in the hamiltonian formulation. I use ordinary and two-point Pade approximants to extrapolate this result to weak coupling. I find a reasonably smooth connection between strong and weak coupling, and good numerical agreement with the exact solution. (orig.)

  6. Communication: Biological applications of coupled-cluster frozen-density embedding

    Science.gov (United States)

    Heuser, Johannes; Höfener, Sebastian

    2018-04-01

    We report the implementation of the Laplace-transform scaled opposite-spin (LT-SOS) resolution-of-the-identity second-order approximate coupled-cluster singles and doubles (RICC2) combined with frozen-density embedding for excitation energies and molecular properties. In the present work, we furthermore employ the Hartree-Fock density for the interaction energy leading to a simplified Lagrangian which is linear in the Lagrangian multipliers. This approximation has the key advantage of a decoupling of the coupled-cluster amplitude and multipliers, leading also to a significant reduction in computation time. Using the new simplified Lagrangian in combination with efficient wavefunction models such as RICC2 or LT-SOS-RICC2 and density-functional theory (DFT) for the environment molecules (CC2-in-DFT) enables the efficient study of biological applications such as the rhodopsin and visual cone pigments using ab initio methods as routine applications.

  7. Language in use intermediate : self-study workbook

    CERN Document Server

    Doff, Adrian

    1994-01-01

    Each of the four levels comprises about 80 hours of class work, with additional time for the self-study work. The Teacher's Book contains all the pages from the Classroom Book, with interleaved teaching notes including optional activities to cater for different abilities. There is a video to accompany the Beginner, Pre-intermediate and Intermediate levels. Each video contains eight stimulating and entertaining short programmes, as well as a booklet of photocopiable activities. Free test material is available in booklet and web format for Beginner and Pre-intermediate levels. Visit www.cambridge.org/elt/liu or contact your local Cambridge University Press representative.

  8. Approximating distributions from moments

    Science.gov (United States)

    Pawula, R. F.

    1987-11-01

    A method based upon Pearson-type approximations from statistics is developed for approximating a symmetric probability density function from its moments. The extended Fokker-Planck equation for non-Markov processes is shown to be the underlying foundation for the approximations. The approximation is shown to be exact for the beta probability density function. The applicability of the general method is illustrated by numerous pithy examples from linear and nonlinear filtering of both Markov and non-Markov dichotomous noise. New approximations are given for the probability density function in two cases in which exact solutions are unavailable, those of (i) the filter-limiter-filter problem and (ii) second-order Butterworth filtering of the random telegraph signal. The approximate results are compared with previously published Monte Carlo simulations in these two cases.

  9. an intermediate moisture meat

    African Journals Online (AJOL)

    STORAGESEVER

    2008-07-04

    Jul 4, 2008 ... traditional SM muscle without compromising quality. ... technique is intermediate moisture food processing. ... Traditionally, most tsire suya producers use ..... quality of Chinese purebred and European X Chinese crossbred ...

  10. Spin-orbit splitted excited states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors

    Science.gov (United States)

    Bokhan, Denis; Trubnikov, Dmitrii N.; Perera, Ajith; Bartlett, Rodney J.

    2018-04-01

    An explicitly-correlated method of calculation of excited states with spin-orbit couplings, has been formulated and implemented. Developed approach utilizes left and right eigenvectors of equation-of-motion coupled-cluster model, which is based on the linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] method. The spin-orbit interactions are introduced by using the spin-orbit mean field (SOMF) approximation of the Breit-Pauli Hamiltonian. Numerical tests for several atoms and molecules show good agreement between explicitly-correlated results and the corresponding values, calculated in complete basis set limit (CBS); the highly-accurate excitation energies can be obtained already at triple- ζ level.

  11. Analytical solutions for coupling fractional partial differential equations with Dirichlet boundary conditions

    Science.gov (United States)

    Ding, Xiao-Li; Nieto, Juan J.

    2017-11-01

    In this paper, we consider the analytical solutions of coupling fractional partial differential equations (FPDEs) with Dirichlet boundary conditions on a finite domain. Firstly, the method of successive approximations is used to obtain the analytical solutions of coupling multi-term time fractional ordinary differential equations. Then, the technique of spectral representation of the fractional Laplacian operator is used to convert the coupling FPDEs to the coupling multi-term time fractional ordinary differential equations. By applying the obtained analytical solutions to the resulting multi-term time fractional ordinary differential equations, the desired analytical solutions of the coupling FPDEs are given. Our results are applied to derive the analytical solutions of some special cases to demonstrate their applicability.

  12. Pseudospin symmetry in the relativistic Manning-Rosen potential including a Pekeris-type approximation to the pseudo-centrifugal term

    International Nuclear Information System (INIS)

    Wei Gaofeng; Dong Shihai

    2010-01-01

    Based on the Sturm-Liouville theorem and shape invariance formalism, we study by applying a Pekeris-type approximation to the pseudo-centrifugal term the pseudospin symmetry of a Dirac nucleon subjected to scalar and vector Manning-Rosen potentials including the spin-orbit coupling term. A quartic energy equation and spinor wave functions with arbitrary spin-orbit coupling quantum number k are presented. The bound states are calculated numerically. The relativistic Manning-Rosen potential could not trap a Dirac nucleon in the limit case β→∞.

  13. Synchronization of coupled stochastic oscillators: The effect of ...

    Indian Academy of Sciences (India)

    as an approximate means of accounting for a separation of time-scales between ... phase relationships between coupled oscillator systems as well as to effect a variety ... ations are often termed as internal noise since their origin is in the very ..... design and control of synthetic biological networks where synchronous ...

  14. General Rytov approximation.

    Science.gov (United States)

    Potvin, Guy

    2015-10-01

    We examine how the Rytov approximation describing log-amplitude and phase fluctuations of a wave propagating through weak uniform turbulence can be generalized to the case of turbulence with a large-scale nonuniform component. We show how the large-scale refractive index field creates Fermat rays using the path integral formulation for paraxial propagation. We then show how the second-order derivatives of the Fermat ray action affect the Rytov approximation, and we discuss how a numerical algorithm would model the general Rytov approximation.

  15. A coupling method for a cardiovascular simulation model which includes the Kalman filter.

    Science.gov (United States)

    Hasegawa, Yuki; Shimayoshi, Takao; Amano, Akira; Matsuda, Tetsuya

    2012-01-01

    Multi-scale models of the cardiovascular system provide new insight that was unavailable with in vivo and in vitro experiments. For the cardiovascular system, multi-scale simulations provide a valuable perspective in analyzing the interaction of three phenomenons occurring at different spatial scales: circulatory hemodynamics, ventricular structural dynamics, and myocardial excitation-contraction. In order to simulate these interactions, multiscale cardiovascular simulation systems couple models that simulate different phenomena. However, coupling methods require a significant amount of calculation, since a system of non-linear equations must be solved for each timestep. Therefore, we proposed a coupling method which decreases the amount of calculation by using the Kalman filter. In our method, the Kalman filter calculates approximations for the solution to the system of non-linear equations at each timestep. The approximations are then used as initial values for solving the system of non-linear equations. The proposed method decreases the number of iterations required by 94.0% compared to the conventional strong coupling method. When compared with a smoothing spline predictor, the proposed method required 49.4% fewer iterations.

  16. Nonlinear transient waves in coupled phase oscillators with inertia.

    Science.gov (United States)

    Jörg, David J

    2015-05-01

    Like the inertia of a physical body describes its tendency to resist changes of its state of motion, inertia of an oscillator describes its tendency to resist changes of its frequency. Here, we show that finite inertia of individual oscillators enables nonlinear phase waves in spatially extended coupled systems. Using a discrete model of coupled phase oscillators with inertia, we investigate these wave phenomena numerically, complemented by a continuum approximation that permits the analytical description of the key features of wave propagation in the long-wavelength limit. The ability to exhibit traveling waves is a generic feature of systems with finite inertia and is independent of the details of the coupling function.

  17. Selective deuteration illuminates the importance of tunneling in the unimolecular decay of Criegee intermediates to hydroxyl radical products.

    Science.gov (United States)

    Green, Amy M; Barber, Victoria P; Fang, Yi; Klippenstein, Stephen J; Lester, Marsha I

    2017-11-21

    Ozonolysis of alkenes, an important nonphotolytic source of hydroxyl (OH) radicals in the atmosphere, proceeds through unimolecular decay of Criegee intermediates. Here, we report a large kinetic isotope effect associated with the rate-limiting hydrogen-transfer step that releases OH radicals for a prototypical Criegee intermediate, CH 3 CHOO. IR excitation of selectively deuterated syn -CD 3 CHOO is shown to result in deuterium atom transfer and release OD radical products. Vibrational activation of syn -CD 3 CHOO is coupled with direct time-resolved detection of OD products to measure a 10-fold slower rate of unimolecular decay upon deuteration in the vicinity of the transition state barrier, which is confirmed by microcanonical statistical theory that incorporates quantum mechanical tunneling. The corresponding kinetic isotope effect of ∼10 is attributed primarily to the decreased probability of D-atom vs. H-atom transfer arising from tunneling. Master equation modeling is utilized to compute the thermal unimolecular decay rates for selectively and fully deuterated syn methyl-substituted Criegee intermediates under atmospheric conditions. At 298 K (1 atm), tunneling is predicted to enhance the thermal decay rate of syn -CH 3 CHOO compared with the deuterated species, giving rise to a significant kinetic isotope effect of ∼50.

  18. Bethe-Salpeter equation for fermion-antifermion system in the ladder approximation

    International Nuclear Information System (INIS)

    Fukui, Ichio; Seto, Noriaki; Yoshida, Toshihiro.

    1977-01-01

    The Bethe-Salpeter (B-S) equation is important for studying hadron physics. Especially intensive investigation on the fermion-antifermion B-S equation is indispensable for the phenomenological studies of hardrons. However, many components of the B-S amplitude and the Wick-rotated integral kernel of non-Fredholm type have prevented from knowing details the solutions even in the ladder approximation. Some particular solutions are known in case of the vanishing four-momenta of bound states. The B-S equation for the bound state of fermion-anti-fermion system interacting through vector (axial-vector) particle exchange was studied in the ladder approximation with Feynman gauge. The reduced equations were obtained for suitably decomposed amplitude, and it is shown that, in the S-wave case, the coupled equations separate into two parts. In the nonrelativistic limit, large components of the amplitude satisfy the Wick-Cutkosky equation, and small components are expressed in terms of the large ones. Equations are derived for the equal-time amplitudes. (Kobatake, H.)

  19. BEC-BCS crossover in a (p+ip)-wave pairing Hamiltonian coupled to bosonic molecular pairs

    International Nuclear Information System (INIS)

    Dunning, Clare; Isaac, Phillip S.; Links, Jon; Zhao, Shao-You

    2011-01-01

    We analyse a (p+ip)-wave pairing BCS Hamiltonian, coupled to a single bosonic degree of freedom representing a molecular condensate, and investigate the nature of the BEC-BCS crossover for this system. For a suitable restriction on the coupling parameters, we show that the model is integrable and we derive the exact solution by the algebraic Bethe ansatz. In this manner we also obtain explicit formulae for correlation functions and compute these for several cases. We find that the crossover between the BEC state and the strong pairing p+ip phase is smooth for this model, with no intermediate quantum phase transition.

  20. Rf transfer in the Coupled-Cavity Free-Electron Laser Two-Beam Accelerator

    International Nuclear Information System (INIS)

    Makowski, M.A.

    1991-01-01

    A significant technical problem associated with the Coupled-Cavity Free-Electron Laser Two-Beam Accelerator is the transfer of RF energy from the drive accelerator to the high-gradient accelerator. Several concepts have been advanced to solve this problem. This paper examines one possible solution in which the drive and high-gradient cavities are directly coupled to one another by means of holes in the cavity walls or coupled indirectly through a third intermediate transfer cavity. Energy cascades through the cavities on a beat frequency time scale which must be made small compared to the cavity skin time but large compared to the FEL pulse length. The transfer is complicated by the fact that each of the cavities in the system can support many resonant modes near the chosen frequency of operation. A generalized set of coupled-cavity equations has been developed to model the energy transfer between the various modes in each of the cavities. For a two cavity case transfer efficiencies in excess of 95% can be achieved. 3 refs., 2 figs

  1. Solitary waves for a coupled nonlinear Schrodinger system with dispersion management

    Directory of Open Access Journals (Sweden)

    Panayotis Panayotaros

    2010-08-01

    Full Text Available We consider a system of coupled nonlinear Schrodinger equations with periodically varying dispersion coefficient that arises in the context of fiber-optics communication. We use Lions's Concentration Compactness principle to show the existence of standing waves with prescribed L^2 norm in an averaged equation that approximates the coupled system. We also use the Mountain Pass Lemma to prove the existence of standing waves with prescribed frequencies.

  2. Collective excitations of strongly coupled bilayer charged Bose liquids in the third-frequency-moment sum rule

    International Nuclear Information System (INIS)

    Tas, Murat; Tanatar, B.

    2008-01-01

    We calculate the collective excitation modes of strongly coupled bilayer charged Bose systems. We employ the dielectric matrix formulation to study the correlation effects within the random-phase approximation (RPA), the self consistent field approximation Singwi, Tosi, Land, and Sjoelander (STLS), and the quasilocalized charge approximation (QLCA), which satisfies the third-frequency-moment ( 3 >) sum rule. We find that the QLCA predicts a long-wavelength correlation-induced energy gap in the out-of-phase plasmon mode, similar to the situation in electronic bilayer systems. The energy gap and the plasmon density of states are studied as a function of interlayer separation and coupling parameter r s . The results should be helpful for experimental investigations

  3. Analytical expressions for radiatively corrected Higgs masses and couplings in the MSSM

    International Nuclear Information System (INIS)

    Carena, M.

    1995-03-01

    We propose, for the computation of the Higgs mass spectrum and couplings, a renormalization-group improved leading-log approximation, where the renormalization scale is fixed to the top-quark pole mass. For the case m A ∝M SUSY , our leading-log approximation differs by less than 2 GeV from previous results on the Higgs mass computed using a nearly scale independent renormalization-group improved effective potential up to next-to-leading order. Moreover, for the general case m A SUSY , we provide analytical formulae (including two-loop leading-log corrections) for all the masses and couplings in the Higgs sector. For M SUSY A , tan β and the stop mixing parameters, they reproduce the numerical renormalization-group improved leading-log result for the Higgs masses with an error of less than 3 GeV. For the Higgs couplings, our analytical formulae reproduce the numerical results equally well. Comparison with other methods is also performed. (orig.)

  4. Lithium hydride doped intermediate connector for high-efficiency and long-term stable tandem organic light-emitting diodes.

    Science.gov (United States)

    Ding, Lei; Tang, Xun; Xu, Mei-Feng; Shi, Xiao-Bo; Wang, Zhao-Kui; Liao, Liang-Sheng

    2014-10-22

    Lithium hydride (LiH) is employed as a novel n-dopant in the intermediate connector for tandem organic light-emitting diodes (OLEDs) because of its easy coevaporation with other electron transporting materials. The tandem OLEDs with two and three electroluminescent (EL) units connected by a combination of LiH doped 8-hydroxyquinoline aluminum (Alq3) and 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile (HAT-CN) demonstrate approximately 2-fold and 3-fold enhancement in current efficiency, respectively. In addition, no extra voltage drop across the intermediate connector is observed. Particularly, the lifetime (T75%) in the tandem OLED with two and three EL units is substantially improved by 3.8 times and 7.4 times, respectively. The doping effect of LiH into Alq3, the charge injection, and transport characteristics of LiH-doped Alq3 are further investigated by ultraviolet photoelectron spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS).

  5. Superconducting correlations in the one-band Hubbard model with intermediate on-site and weak attractive intersite interactions

    International Nuclear Information System (INIS)

    Jain, K.P.; Ramakumar, R.; Chancey, C.C.

    1990-01-01

    In this paper, we analyze a simple extended Hubbard model with an intermediate on-site interaction (both repulsive and attractive) and a weak intersite attractive interaction. Following Hubbard decoupling approximations and introducing Hubbard subband operators, we obtain a generalized gap function for singlet s-wave pairing that explicitly depends on the Hubbard subband energies. For the on-site repulsive-interaction case, we find that the superconductivity is not destroyed in the intermediate-interaction regime, contrary to the prediction of a Hartree-Fock mean-field treatment. The essential consequence of the on-site repulsion is the formation of the Hubbard subbands separated by the Mott-Hubbard gap, and it is within these subbands that pairing induced by the intersite interaction occurs. For the attractive on-site interaction case, the on-site pairing amplitude is found to be proportional to the bandwidth, and the gap function has contributions from both on-site and intersite pairing. The relevance of the model to high-temperature superconductivity is discussed

  6. Taxation of Financial Intermediation Activities in Hong Kong

    OpenAIRE

    Jack M. Mintz; Stephen R. Richardson

    2001-01-01

    This paper discusses issues related to the taxation of financial intermediation in Hong Kong in the context of Hong Kong's position as a major regional financial centre. It first provides some background analysis as to the definition of financial intermediation and identification of the providers of financial services. This is then followed by a discussion of the principles of taxation applicable to financial intermediation, including a comparison of income taxes to consumption taxes. Some sp...

  7. The energy-deposition model. Electron loss of heavy ions in collisions with neutral atoms at low and intermediate energies

    International Nuclear Information System (INIS)

    Shevelko, V.P.; Litsarev, M.S.; Kato, D.; Tawara, H.

    2010-09-01

    Single- and multiple-electron loss processes in collisions of heavy many-electron ions (positive and negative) in collisions with neutral atoms at low and intermediate energies are considered using the energy-deposition model. The DEPOSIT computer code, created earlier to calculate electron-loss cross sections at high projectile energies, is extended for low and intermediate energies. A description of a new version of DEPOSIT code is given, and the limits of validity for collision velocity in the model are discussed. Calculated electron-loss cross sections for heavy ions and atoms (N + , Ar + , Xe + , U + , U 28+ , W, W + , Ge - , Au - ), colliding with neutral atoms (He, Ne, Ar, W) are compared with available experimental and theoretical data at energies E > 10 keV/u. It is found that in most cases the agreement between experimental data and the present model is within a factor of 2. Combining results obtained by the DEPOSIT code at low and intermediate energies with those by the LOSS-R code at high energies (relativistic Born approximation), recommended electron-loss cross sections in a wide range of collision energy are presented. (author)

  8. Analysis and experimental study of wireless power transfer with HTS coil and copper coil as the intermediate resonators system

    International Nuclear Information System (INIS)

    Wang, Xiufang; Nie, Xinyi; Liang, Yilang; Lu, Falong; Yan, Zhongming; Wang, Yu

    2017-01-01

    Highlights: • We investigated a kind of system architecture with three coils which the repeater is copper coil or HTS coil. • We simulated the different repeater system and obtained the magnetic field distribution at different distance. • We used helical coil instead of pancake coil which does not use capacitors. • HTS intermediate coil has significant effect on improving the transmission efficiency and lengthening transmission distance than copper intermediate coil. - Abstract: Intermediate resonator (repeater) between transmitter and receiver can significantly increase the distance of wireless power transfer (WPT) and the efficiency of wireless power transfer. The wireless power transfer via strongly coupled magnetic resonances with an high temperature superconducting (HTS) coil and copper coil as intermediate resonators was presented in this paper. The electromagnetic experiment system under different conditions with different repeating coils were simulated by finite element software. The spatial distribution patterns of magnetic induction intensity at different distances were plotted. In this paper, we examined transfer characteristics with HTS repeating coil and copper repeating coil at 77 K and 300 K, respectively. Simulation and experimental results show that HTS and copper repeating coil can effectively enhance the space magnetic induction intensity, which has significant effect on improving the transmission efficiency and lengthening transmission distance. We found that the efficiency and the distance of wireless power transfer system with an HTS coil as repeater is much higher by using of copper coil as repeater.

  9. Analysis and experimental study of wireless power transfer with HTS coil and copper coil as the intermediate resonators system

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiufang [School of Electrical Engineering, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Physics and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Nie, Xinyi [School of Electrical Engineering, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Liang, Yilang [School of Physics and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Lu, Falong [School of Electrical Engineering, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Yan, Zhongming, E-mail: wangxiufanghappy@163.com [School of Electrical Engineering, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Wang, Yu [School of Electrical Engineering, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China)

    2017-01-15

    Highlights: • We investigated a kind of system architecture with three coils which the repeater is copper coil or HTS coil. • We simulated the different repeater system and obtained the magnetic field distribution at different distance. • We used helical coil instead of pancake coil which does not use capacitors. • HTS intermediate coil has significant effect on improving the transmission efficiency and lengthening transmission distance than copper intermediate coil. - Abstract: Intermediate resonator (repeater) between transmitter and receiver can significantly increase the distance of wireless power transfer (WPT) and the efficiency of wireless power transfer. The wireless power transfer via strongly coupled magnetic resonances with an high temperature superconducting (HTS) coil and copper coil as intermediate resonators was presented in this paper. The electromagnetic experiment system under different conditions with different repeating coils were simulated by finite element software. The spatial distribution patterns of magnetic induction intensity at different distances were plotted. In this paper, we examined transfer characteristics with HTS repeating coil and copper repeating coil at 77 K and 300 K, respectively. Simulation and experimental results show that HTS and copper repeating coil can effectively enhance the space magnetic induction intensity, which has significant effect on improving the transmission efficiency and lengthening transmission distance. We found that the efficiency and the distance of wireless power transfer system with an HTS coil as repeater is much higher by using of copper coil as repeater.

  10. Coupled ice sheet - climate simulations of the last glacial inception and last glacial maximum with a model of intermediate complexity that includes a dynamical downscaling of heat and moisture

    Science.gov (United States)

    Quiquet, Aurélien; Roche, Didier M.

    2017-04-01

    Comprehensive fully coupled ice sheet - climate models allowing for multi-millenia transient simulations are becoming available. They represent powerful tools to investigate ice sheet - climate interactions during the repeated retreats and advances of continental ice sheets of the Pleistocene. However, in such models, most of the time, the spatial resolution of the ice sheet model is one order of magnitude lower than the one of the atmospheric model. As such, orography-induced precipitation is only poorly represented. In this work, we briefly present the most recent improvements of the ice sheet - climate coupling within the model of intermediate complexity iLOVECLIM. On the one hand, from the native atmospheric resolution (T21), we have included a dynamical downscaling of heat and moisture at the ice sheet model resolution (40 km x 40 km). This downscaling accounts for feedbacks of sub-grid precipitation on large scale energy and water budgets. From the sub-grid atmospheric variables, we compute an ice sheet surface mass balance required by the ice sheet model. On the other hand, we also explicitly use oceanic temperatures to compute sub-shelf melting at a given depth. Based on palaeo evidences for rate of change of eustatic sea level, we discuss the capability of our new model to correctly simulate the last glacial inception ( 116 kaBP) and the ice volume of the last glacial maximum ( 21 kaBP). We show that the model performs well in certain areas (e.g. Canadian archipelago) but some model biases are consistent over time periods (e.g. Kara-Barents sector). We explore various model sensitivities (e.g. initial state, vegetation, albedo) and we discuss the importance of the downscaling of precipitation for ice nucleation over elevated area and for the surface mass balance of larger ice sheets.

  11. Optical model representation of coupled channel effects

    International Nuclear Information System (INIS)

    Wall, N.S.; Cowley, A.A.; Johnson, R.C.; Kobas, A.M.

    1977-01-01

    A modification to the usual 6-parameter Woods-Saxon parameterization of the optical model for the scattering of composite particles is proposed. This additional real term reflects the effect of coupling other channels to the elastic scattering. The analyses favor a repulsive interaction for this term, especially for alpha particles. It is found that the repulsive term when combined with a Woods-Saxon term yields potentials with central values and volume integrals similar to those found by uncoupled elastic scattering calculations. These values are V(r = 0) approximately equal to 125 MeV and J/4A approximately equal to 300 MeV-fm 3

  12. Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

    Energy Technology Data Exchange (ETDEWEB)

    Lyutorovich, N.; Tselyaev, V. [Physical Faculty, St. Petersburg State University, RU-198504 St. Petersburg (Russian Federation); Speth, J., E-mail: J.Speth@fz-juelich.de [Institut für Kernphysik, Forschungszentrum Jülich, D-52425 Jülich (Germany); Krewald, S.; Grümmer, F. [Institut für Kernphysik, Forschungszentrum Jülich, D-52425 Jülich (Germany); Reinhard, P.-G. [Institut für Theoretische Physik II, Universität Erlangen-Nürnberg, D-91058 Erlangen (Germany)

    2015-10-07

    We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree–Fock ground state and the excitation spectra within random-phase approximation (RPA) and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA). All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

  13. Different regimes of electronic coupling and their influence on exciton recombination in vertically stacked InAs/InP quantum wires

    International Nuclear Information System (INIS)

    Fuster, David; Martinez-Pastor, Juan; Gonzalez, Luisa; Gonzalez, Yolanda

    2006-01-01

    In the present work we study the influence of stacking self-assembled InAs quantum wires (QWRs) on the emission wavelength and the excitonic recombination dynamics. The reduction in the InP spacer layer thickness, d(InP), produces both a size filtering effect towards large wire ensembles and an increase in the vertical coupling for electrons and holes along the stack direction. The different vertical coupling for electrons and holes induces a different behaviour in the exciton recombination dynamics, depending on the InP spacer layer thickness: weak electron coupling and negligible hole coupling for d(InP) > 10 nm, intermediate electron coupling and weak hole coupling for 5 nm ≤ d(InP) ≤ 10 nm and strong electron coupling and moderate hole coupling for d(InP) < 5 nm. Such exciton dynamics have been established by comparing the experimental time decay results with a multi-quantum well model accounting for the vertical carrier coupling

  14. Asymptotic response of observables from divergent weak-coupling expansions: A fractional-calculus-assisted Padé technique

    Science.gov (United States)

    Dhatt, Sharmistha; Bhattacharyya, Kamal

    2012-08-01

    Appropriate constructions of Padé approximants are believed to provide reasonable estimates of the asymptotic (large-coupling) amplitude and exponent of an observable, given its weak-coupling expansion to some desired order. In many instances, however, sequences of such approximants are seen to converge very poorly. We outline here a strategy that exploits the idea of fractional calculus to considerably improve the convergence behavior. Pilot calculations on the ground-state perturbative energy series of quartic, sextic, and octic anharmonic oscillators reveal clearly the worth of our endeavor.

  15. Studying multifragmentation dynamics at intermediate energies using two-fragment correlations

    International Nuclear Information System (INIS)

    Sangster, T.C.; Britt, H.C.; Namboodiri, M.N.

    1993-01-01

    One of the most challenging topics in Nuclear Physics is the multifragmentation at moderate excitation energies in large nuclear systems. Although the idea that multifragmentation is analogous to a liquid-gas like phase transition is not new, it has only been recently that highly exclusive experimental measurements have been coupled with sophisticated theoretical models like QMD and BUU/VUU to explore reaction dynamics and the process of fragment formation. Indeed, much of what is known about multifragmentation has resulted from the study of complex correlations present in both the experimental data and theoretical calculations. One of the most crucial questions in the ongoing debate concerning the liquid-gas analogy is the differentiation between simultaneous and sequential fragment emission. Clearly, the phase transition analogy breaks down if fragments are emitted sequentially as in an evaporative process. There have been a number of two-fragment correlation results published recently (including those presented in this paper) which attempt to put limits on the emission timescale using three-body Coulomb trajectory calculations with explicit emission times for sequential decays from a fixed source density. These results have been generally consistent and indicate that intermediate mass fragment (IMF) emission is nearly simultaneous in medium energy heavy ion collisions. Only very recently have calculations been performed which approach this question from the other extreme: simultaneous emission from a variable density source. When considered together, these results argue favorably for a simultaneous multifragmentation. In this paper the authors present comprehensive results on two-fragment correlations for heavy systems at intermediate energies

  16. Intermediate-energy nuclear chemistry workshop

    International Nuclear Information System (INIS)

    Butler, G.W.; Giesler, G.C.; Liu, L.C.; Dropesky, B.J.; Knight, J.D.; Lucero, F.; Orth, C.J.

    1981-05-01

    This report contains the proceedings of the LAMPF Intermediate-Energy Nuclear Chemistry Workshop held in Los Alamos, New Mexico, June 23-27, 1980. The first two days of the Workshop were devoted to invited review talks highlighting current experimental and theoretical research activities in intermediate-energy nuclear chemistry and physics. Working panels representing major topic areas carried out indepth appraisals of present research and formulated recommendations for future research directions. The major topic areas were Pion-Nucleus Reactions, Nucleon-Nucleus Reactions and Nuclei Far from Stability, Mesonic Atoms, Exotic Interactions, New Theoretical Approaches, and New Experimental Techniques and New Nuclear Chemistry Facilities

  17. Intermediate-energy nuclear chemistry workshop

    Energy Technology Data Exchange (ETDEWEB)

    Butler, G.W.; Giesler, G.C.; Liu, L.C.; Dropesky, B.J.; Knight, J.D.; Lucero, F.; Orth, C.J.

    1981-05-01

    This report contains the proceedings of the LAMPF Intermediate-Energy Nuclear Chemistry Workshop held in Los Alamos, New Mexico, June 23-27, 1980. The first two days of the Workshop were devoted to invited review talks highlighting current experimental and theoretical research activities in intermediate-energy nuclear chemistry and physics. Working panels representing major topic areas carried out indepth appraisals of present research and formulated recommendations for future research directions. The major topic areas were Pion-Nucleus Reactions, Nucleon-Nucleus Reactions and Nuclei Far from Stability, Mesonic Atoms, Exotic Interactions, New Theoretical Approaches, and New Experimental Techniques and New Nuclear Chemistry Facilities.

  18. Air-Coupled Piezoelectric Transducers with Active Polypropylene Foam Matching Layers

    Directory of Open Access Journals (Sweden)

    Tomás E. Gómez Alvarez-Arenas

    2013-05-01

    Full Text Available This work presents the design, construction and characterization of air-coupled piezoelectric transducers using 1–3 connectivity piezocomposite disks with a stack of matching layers being the outer one an active quarter wavelength layer made of polypropylene foam ferroelectret film. This kind of material has shown a stable piezoelectric response together with a very low acoustic impedance (<0.1 MRayl. These features make them a suitable candidate for the dual use or function proposed here: impedance matching layer and active material for air-coupled transduction. The transducer centre frequency is determined by the l/4 resonance of the polypropylene foam ferroelectret film (0.35 MHz, then, the rest of the transducer components (piezocomposite disk and passive intermediate matching layers are all tuned to this frequency. The transducer has been tested in several working modes including pulse-echo and pitch-catch as well as wide and narrow band excitation. The performance of the proposed novel transducer is compared with that of a conventional air-coupled transducers operating in a similar frequency range.

  19. The ARES High-level Intermediate Representation

    Energy Technology Data Exchange (ETDEWEB)

    Moss, Nicholas David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-03

    The LLVM intermediate representation (IR) lacks semantic constructs for depicting common high-performance operations such as parallel and concurrent execution, communication and synchronization. Currently, representing such semantics in LLVM requires either extending the intermediate form (a signi cant undertaking) or the use of ad hoc indirect means such as encoding them as intrinsics and/or the use of metadata constructs. In this paper we discuss a work in progress to explore the design and implementation of a new compilation stage and associated high-level intermediate form that is placed between the abstract syntax tree and when it is lowered to LLVM's IR. This highlevel representation is a superset of LLVM IR and supports the direct representation of these common parallel computing constructs along with the infrastructure for supporting analysis and transformation passes on this representation.

  20. The dynamics of two linearly coupled Goodwin oscillators

    Science.gov (United States)

    Antonova, A. O.; Reznik, S. N.; Todorov, M. D.

    2017-10-01

    In this paper the Puu model of the interaction of Goodwin's business cycles for two regions is reconsidered. We investigated the effect of the accelerator coefficients and the Hicksian 'ceiling' and 'floor' parameters on the time dynamics of incomes for different values of marginal propensity to import. The cases when the periods of isolated Goodwin's cycles are close, and when they differ approximately twice are considered. By perturbation theory we obtained the formulas for slowly varying amplitudes and phase difference of weakly nonlinear coupled Goodwin oscillations. The coupled oscillations of two Goodwin's cycles with piecewise linear accelerators with only 'floor' are considered.