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Sample records for vibronic coupling model

  1. Vibronic coupling density and related concepts

    International Nuclear Information System (INIS)

    Sato, Tohru; Uejima, Motoyuki; Iwahara, Naoya; Haruta, Naoki; Shizu, Katsuyuki; Tanaka, Kazuyoshi

    2013-01-01

    Vibronic coupling density is derived from a general point of view as a one-electron property density. Related concepts as well as their applications are presented. Linear and nonlinear vibronic coupling density and related concepts, orbital vibronic coupling density, reduced vibronic coupling density, atomic vibronic coupling constant, and effective vibronic coupling density, illustrate the origin of vibronic couplings and enable us to design novel functional molecules or to elucidate chemical reactions. Transition dipole moment density is defined as an example of the one-electron property density. Vibronic coupling density and transition dipole moment density open a way to design light-emitting molecules with high efficiency.

  2. Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model

    International Nuclear Information System (INIS)

    Joubert-Doriol, Loïc; Ryabinkin, Ilya G.; Izmaylov, Artur F.

    2013-01-01

    In molecular systems containing conical intersections (CIs), a nontrivial geometric phase (GP) appears in the nuclear and electronic wave functions in the adiabatic representation. We study GP effects in nuclear dynamics of an N-dimensional linear vibronic coupling (LVC) model. The main impact of GP on low-energy nuclear dynamics is reduction of population transfer between the local minima of the LVC lower energy surface. For the LVC model, we proposed an isometric coordinate transformation that confines non-adiabatic effects within a two-dimensional subsystem interacting with an N − 2 dimensional environment. Since environmental modes do not couple electronic states, all GP effects originate from nuclear dynamics within the subsystem. We explored when the GP affects nuclear dynamics of the isolated subsystem, and how the subsystem-environment interaction can interfere with GP effects. Comparing quantum dynamics with and without GP allowed us to devise simple rules to determine significance of the GP for nuclear dynamics in this model

  3. Vibronic coupling in molecular crystals: A Franck-Condon Herzberg-Teller model of H-aggregate fluorescence based on quantum chemical cluster calculations

    Energy Technology Data Exchange (ETDEWEB)

    Wykes, M., E-mail: mikewykes@gmail.com; Parambil, R.; Gierschner, J. [Madrid Institute for Advanced Studies, IMDEA Nanoscience, Calle Faraday 9, Campus Cantoblanco, 28049 Madrid (Spain); Beljonne, D. [Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, 7000 Mons (Belgium)

    2015-09-21

    Here, we present a general approach to treating vibronic coupling in molecular crystals based on atomistic simulations of large clusters. Such clusters comprise model aggregates treated at the quantum chemical level embedded within a realistic environment treated at the molecular mechanics level. As we calculate ground and excited state equilibrium geometries and vibrational modes of model aggregates, our approach is able to capture effects arising from coupling to intermolecular degrees of freedom, absent from existing models relying on geometries and normal modes of single molecules. Using the geometries and vibrational modes of clusters, we are able to simulate the fluorescence spectra of aggregates for which the lowest excited state bears negligible oscillator strength (as is the case, e.g., ideal H-aggregates) by including both Franck-Condon (FC) and Herzberg-Teller (HT) vibronic transitions. The latter terms allow the adiabatic excited state of the cluster to couple with vibrations in a perturbative fashion via derivatives of the transition dipole moment along nuclear coordinates. While vibronic coupling simulations employing FC and HT terms are well established for single-molecules, to our knowledge this is the first time they are applied to molecular aggregates. Here, we apply this approach to the simulation of the low-temperature fluorescence spectrum of para-distyrylbenzene single-crystal H-aggregates and draw comparisons with coarse-grained Frenkel-Holstein approaches previously extensively applied to such systems.

  4. Geometric phase effects in excited state dynamics through a conical intersection in large molecules: N-dimensional linear vibronic coupling model study

    Science.gov (United States)

    Li, Jiaru; Joubert-Doriol, Loïc; Izmaylov, Artur F.

    2017-08-01

    We investigate geometric phase (GP) effects in nonadiabatic transitions through a conical intersection (CI) in an N-dimensional linear vibronic coupling (ND-LVC) model. This model allows for the coordinate transformation encompassing all nonadiabatic effects within a two-dimensional (2D) subsystem, while the other N - 2 dimensions form a system of uncoupled harmonic oscillators identical for both electronic states and coupled bi-linearly with the subsystem coordinates. The 2D subsystem governs ultra-fast nonadiabatic dynamics through the CI and provides a convenient model for studying GP effects. Parameters of the original ND-LVC model define the Hamiltonian of the transformed 2D subsystem and thus influence GP effects directly. Our analysis reveals what values of ND-LVC parameters can introduce symmetry breaking in the 2D subsystem that diminishes GP effects.

  5. Vibronic coupling effect on the electron transport through molecules

    Science.gov (United States)

    Tsukada, Masaru; Mitsutake, Kunihiro

    2007-03-01

    Electron transport through molecular bridges or molecular layers connected to nano-electrodes is determined by the combination of coherent and dissipative processes, controlled by the electron-vibron coupling, transfer integrals between the molecular orbitals, applied electric field and temperature. We propose a novel theoretical approach, which combines ab initio molecular orbital method with analytical many-boson model. As a case study, the long chain model of the thiophene oligomer is solved by a variation approach. Mixed states of moderately extended molecular orbital states mediated and localised by dress of vibron cloud are found as eigen-states. All the excited states accompanied by multiple quanta of vibration can be solved, and the overall carrier transport properties including the conductance, mobility, dissipation spectra are analyzed by solving the master equation with the transition rates estimated by the golden rule. We clarify obtained in a uniform systematic way, how the transport mode changes from a dominantly coherent transport to the dissipative hopping transport.

  6. Electron-vibron coupling effects on electron transport via a single-molecule magnet

    Science.gov (United States)

    McCaskey, Alexander; Yamamoto, Yoh; Warnock, Michael; Burzurí, Enrique; van der Zant, Herre S. J.; Park, Kyungwha

    2015-03-01

    We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters, vibrational energies, and electron-vibron coupling strengths of the Fe4 are computed using DFT. A giant spin model is applied to the Fe4 with only two charge states, specifically a neutral state with a total spin S =5 and a singly charged state with S =9 /2 , which is consistent with our DFT result and experiments on Fe4 single-molecule transistors. In sequential electron tunneling, we find that the magnetic anisotropy gives rise to new features in the conductance peaks arising from vibrational excitations. In particular, the peak height shows a strong, unusual dependence on the direction as well as magnitude of applied B field. The magnetic anisotropy also introduces vibrational satellite peaks whose position and height are modified with the direction and magnitude of applied B field. Furthermore, when multiple vibrational modes with considerable electron-vibron coupling have energies close to one another, a low-bias current is suppressed, independently of gate voltage and applied B field, although that is not the case for a single mode with a similar electron-vibron coupling. In the former case, the conductance peaks reveal a stronger B -field dependence than in the latter case. The new features appear because the magnetic anisotropy barrier is of the same order of magnitude as the energies of vibrational modes with significant electron-vibron coupling. Our findings clearly show the interesting interplay between magnetic anisotropy and electron-vibron coupling in electron transport via the Fe4. Similar behavior can be observed in transport via other anisotropic magnetic molecules.

  7. Electron-vibron coupling effects on electron transport via a single-molecule magnet

    NARCIS (Netherlands)

    McCaskey, A.; Yamamoto, Y.; Warnock, M.; Burzuri, E.; Van der Zant, H.S.J.; Park, K.

    2015-01-01

    We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters,

  8. Quantum dynamics of a vibronically coupled linear chain using a surrogate Hamiltonian approach

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Myeong H., E-mail: myeong.lee@warwick.ac.uk; Troisi, Alessandro [Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL (United Kingdom)

    2016-06-07

    Vibronic coupling between the electronic and vibrational degrees of freedom has been reported to play an important role in charge and exciton transport in organic photovoltaic materials, molecular aggregates, and light-harvesting complexes. Explicitly accounting for effective vibrational modes rather than treating them as a thermal environment has been shown to be crucial to describe the effect of vibronic coupling. We present a methodology to study dissipative quantum dynamics of vibronically coupled systems based on a surrogate Hamiltonian approach, which is in principle not limited by Markov approximation or weak system-bath interaction, using a vibronic basis. We apply vibronic surrogate Hamiltonian method to a linear chain system and discuss how different types of relaxation process, intramolecular vibrational relaxation and intermolecular vibronic relaxation, influence population dynamics of dissipative vibronic systems.

  9. Towards quantification of vibronic coupling in photosynthetic antenna complexes

    Energy Technology Data Exchange (ETDEWEB)

    Singh, V. P.; Westberg, M.; Wang, C.; Gellen, T.; Engel, G. S., E-mail: gsengel@uchicago.edu [Department of Chemistry, The James Franck Institute and The Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637 (United States); Dahlberg, P. D. [Graduate Program in the Biophysical Sciences, The James Franck Institute and The Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637 (United States); Gardiner, A. T.; Cogdell, R. J. [Department of Botany, Institute of Molecular Cell and Systems Biology, University of Glasgow, Glasgow, Scotland (United Kingdom)

    2015-06-07

    Photosynthetic antenna complexes harvest sunlight and efficiently transport energy to the reaction center where charge separation powers biochemical energy storage. The discovery of existence of long lived quantum coherence during energy transfer has sparked the discussion on the role of quantum coherence on the energy transfer efficiency. Early works assigned observed coherences to electronic states, and theoretical studies showed that electronic coherences could affect energy transfer efficiency—by either enhancing or suppressing transfer. However, the nature of coherences has been fiercely debated as coherences only report the energy gap between the states that generate coherence signals. Recent works have suggested that either the coherences observed in photosynthetic antenna complexes arise from vibrational wave packets on the ground state or, alternatively, coherences arise from mixed electronic and vibrational states. Understanding origin of coherences is important for designing molecules for efficient light harvesting. Here, we give a direct experimental observation from a mutant of LH2, which does not have B800 chromophores, to distinguish between electronic, vibrational, and vibronic coherence. We also present a minimal theoretical model to characterize the coherences both in the two limiting cases of purely vibrational and purely electronic coherence as well as in the intermediate, vibronic regime.

  10. Jahn-Teller effect in Rydberg series: A multi-state vibronic coupling problem

    International Nuclear Information System (INIS)

    Staib, A.; Domcke, W.; Sobolewski, A.L.

    1990-01-01

    Two simple limiting cases of Jahn-Teller (JT) coupling in Rydberg states of polyatomic molecules are considered, namely (i) JT coupling in Rydberg orbitals as well as in the ionization continuum (nondegenerate ion core, degenerate Rydberg series) and (ii) JT coupling in the ion core (degenerate ion core, nondegenerate Rydberg series). For both models simple and efficient algorithms for the computation of spectra (dynamical JT effect) are developed. The orbital JT effect is shown to represent a novel type of multi-state vibronic coupling, giving rise to interesting spectroscopic phenomena, among them resonant inter-Rydberg perturbations and JT induced autoionization. Particular attention is paid to the demonstration of the characteristic spectroscopic signatures of the two types of JT coupling in Rydberg states. (orig.)

  11. Vibronic coupling in asymmetric bichromophores: Experimental investigation of diphenylmethane-d5

    International Nuclear Information System (INIS)

    Pillsbury, Nathan R.; Kidwell, Nathanael M.; Nebgen, Benjamin; Slipchenko, Lyudmila V.; Zwier, Timothy S.; Douglass, Kevin O.; Plusquellic, David F.; Cable, John R.

    2014-01-01

    Vibrationally and rotationally resolved electronic spectra of diphenylmethane-d 5 (DPM-d 5 ) are reported in the isolated-molecule environment of a supersonic expansion. While small, the asymmetry induced by deuteration of one of the aromatic rings is sufficient to cause several important effects that change the principle mechanism of vibronic coupling between the close-lying S 1 and S 2 states, and spectroscopic signatures such coupling produces. The splitting between S 1 and S 2 origins is 186 cm −1 , about 50% greater than its value in DPM-d 0 (123 cm −1 ), and an amount sufficient to bring the S 2 zero-point level into near-resonance with the v = 1 level in the S 1 state of a low-frequency phenyl flapping mode, ν R = 191 cm −1 . Dispersed fluorescence spectra bear clear evidence that Δv(R) = 1 Herzberg-Teller coupling dominates the near-resonant internal mixing between the S 1 and S 2 manifolds. The fluorescence into each pair of Franck-Condon active ring modes shows an asymmetry that suggests incorrectly that the S 1 and S 2 states may be electronically localized. From rotationally resolved studies, the S 0 and S 1 states have been well-fit to asymmetric rotor Hamiltonians while the S 2 state is perturbed and not fit. The transition dipole moment (TDM) orientation of the S 1 state is nearly perpendicular to the C 2 symmetry axes with 66(2)%:3(1)%:34(2)% a:b:c hybrid-type character while that of the S 2 origin contains 50(10)% a:c-type (S 1 ) and 50(10)% b-type (S 2 ) character. A model is put forward that explains qualitatively the TDM compositions and dispersed emission patterns without the need to invoke electronic localization. The experimental data discussed here serve as a foundation for a multi-mode vibronic coupling model capable of being applied to asymmetric bichromophores, as presented in the work of B. Nebgen and L. V. Slipchenko [“Vibronic coupling in asymmetric bichromophores: Theory and application to diphenylmethane-d 5 ,” J. Chem

  12. Vibronic coupling in asymmetric bichromophores: Experimental investigation of diphenylmethane-d{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Pillsbury, Nathan R.; Kidwell, Nathanael M.; Nebgen, Benjamin; Slipchenko, Lyudmila V.; Zwier, Timothy S., E-mail: david.plusquellic@nist.gov, E-mail: zwier@purdue.edu [Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-2084 (United States); Douglass, Kevin O.; Plusquellic, David F., E-mail: david.plusquellic@nist.gov, E-mail: zwier@purdue.edu [Quantum Electronics and Photonics Division, Physical Measurement Laboratory, National Institute of Standards and Technology, Boulder, Colorado 80305-3328 (United States); Cable, John R. [Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, Ohio 43403-0213 (United States)

    2014-08-14

    Vibrationally and rotationally resolved electronic spectra of diphenylmethane-d{sub 5} (DPM-d{sub 5}) are reported in the isolated-molecule environment of a supersonic expansion. While small, the asymmetry induced by deuteration of one of the aromatic rings is sufficient to cause several important effects that change the principle mechanism of vibronic coupling between the close-lying S{sub 1} and S{sub 2} states, and spectroscopic signatures such coupling produces. The splitting between S{sub 1} and S{sub 2} origins is 186 cm{sup −1}, about 50% greater than its value in DPM-d{sub 0} (123 cm{sup −1}), and an amount sufficient to bring the S{sub 2} zero-point level into near-resonance with the v = 1 level in the S{sub 1} state of a low-frequency phenyl flapping mode, ν{sub R} = 191 cm{sup −1}. Dispersed fluorescence spectra bear clear evidence that Δv(R) = 1 Herzberg-Teller coupling dominates the near-resonant internal mixing between the S{sub 1} and S{sub 2} manifolds. The fluorescence into each pair of Franck-Condon active ring modes shows an asymmetry that suggests incorrectly that the S{sub 1} and S{sub 2} states may be electronically localized. From rotationally resolved studies, the S{sub 0} and S{sub 1} states have been well-fit to asymmetric rotor Hamiltonians while the S{sub 2} state is perturbed and not fit. The transition dipole moment (TDM) orientation of the S{sub 1} state is nearly perpendicular to the C{sub 2} symmetry axes with 66(2)%:3(1)%:34(2)% a:b:c hybrid-type character while that of the S{sub 2} origin contains 50(10)% a:c-type (S{sub 1}) and 50(10)% b-type (S{sub 2}) character. A model is put forward that explains qualitatively the TDM compositions and dispersed emission patterns without the need to invoke electronic localization. The experimental data discussed here serve as a foundation for a multi-mode vibronic coupling model capable of being applied to asymmetric bichromophores, as presented in the work of B. Nebgen and L. V

  13. The exact wavefunction factorization of a vibronic coupling system

    International Nuclear Information System (INIS)

    Chiang, Ying-Chih; Klaiman, Shachar; Otto, Frank; Cederbaum, Lorenz S.

    2014-01-01

    We investigate the exact wavefunction as a single product of electronic and nuclear wavefunction for a model conical intersection system. Exact factorized spiky potentials and nodeless nuclear wavefunctions are found. The exact factorized potential preserves the symmetry breaking effect when the coupling mode is present. Additionally nodeless wavefunctions are found to be closely related to the adiabatic nuclear eigenfunctions. This phenomenon holds even for the regime where the non-adiabatic coupling is relevant, and sheds light on the relation between the exact wavefunction factorization and the adiabatic approximation

  14. A study of vibronic coupling in the tilde C state of CO2+

    International Nuclear Information System (INIS)

    Roy, P.; Ferrett, T.A.; Schmidt, V.; Parr, A.C.; Southworth, S.H.; Hardis, J.E.; Bartlett, R.; Trela, W.; Dehmer, J.L.

    1987-01-01

    We have studied vibronic coupling in vibrationally resolved photoionization to the fourth electronic state of CO 2 + , C( 2 Σ/sub g/ + ), in the photon-energy range h nu = 20 to 28.5 eV. The measurements utilize high-resolution hemispherical electron analyzers, equipped with area detectors, and the SURF-II synchrotron radiation source at the National Bureau of Standards. The angular distribution asymmetry-parameters (β) for the allowed C(0,0,0) and forbidden C(1,0,1) (19.747 eV binding energy) peaks are found to be quite different. However, similarities between the C(1,0,1) β curve and that for the B state suggest that vibronic coupling to the B( 2 Σ/sub u/ + ) state of CO 2 + is the explanation for the intensity of the C state forbidden band in the first 8 eV above threshold

  15. Carotenoid-to-bacteriochlorophyll energy transfer through vibronic coupling in LH2 from Phaeosprillum molischianum.

    Science.gov (United States)

    Thyrhaug, Erling; Lincoln, Craig N; Branchi, Federico; Cerullo, Giulio; Perlík, Václav; Šanda, František; Lokstein, Heiko; Hauer, Jürgen

    2018-03-01

    The peripheral light-harvesting antenna complex (LH2) of purple photosynthetic bacteria is an ideal testing ground for models of structure-function relationships due to its well-determined molecular structure and ultrafast energy deactivation. It has been the target for numerous studies in both theory and ultrafast spectroscopy; nevertheless, certain aspects of the convoluted relaxation network of LH2 lack a satisfactory explanation by conventional theories. For example, the initial carotenoid-to-bacteriochlorophyll energy transfer step necessary on visible light excitation was long considered to follow the Förster mechanism, even though transfer times as short as 40 femtoseconds (fs) have been observed. Such transfer times are hard to accommodate by Förster theory, as the moderate coupling strengths found in LH2 suggest much slower transfer within this framework. In this study, we investigate LH2 from Phaeospirillum (Ph.) molischianum in two types of transient absorption experiments-with narrowband pump and white-light probe resulting in 100 fs time resolution, and with degenerate broadband 10 fs pump and probe pulses. With regard to the split Q x band in this system, we show that vibronically mediated transfer explains both the ultrafast carotenoid-to-B850 transfer, and the almost complete lack of transfer to B800. These results are beyond Förster theory, which predicts an almost equal partition between the two channels.

  16. Vibronic coupling explains the ultrafast carotenoid-to-bacteriochlorophyll energy transfer in natural and artificial light harvesters

    Energy Technology Data Exchange (ETDEWEB)

    Perlík, Václav; Seibt, Joachim; Šanda, František; Mančal, Tomáš [Institute of Physics, Faculty of Mathematics and Physics, Charles University in Prague, Ke Karlovu 5, Prague 121 16 (Czech Republic); Cranston, Laura J.; Cogdell, Richard J. [Institute of Molecular Cell and System Biology, College of Medical, Veterinary and Life Sciences, University of Glasgow, Glasgow Biomedical Research Centre, 120 University Place, Glasgow G12 8TA, Scotland (United Kingdom); Lincoln, Craig N.; Hauer, Jürgen, E-mail: juergen.hauer@tuwien.ac.at [Photonics Institute, Vienna University of Technology, Gusshausstrasse 27, 1040 Vienna (Austria); Savolainen, Janne [Department of Physical Chemistry II, Ruhr-University Bochum, 44780 Bochum (Germany)

    2015-06-07

    The initial energy transfer steps in photosynthesis occur on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an artificial light-harvesting dyad system by using transient grating and two-dimensional electronic spectroscopy with 10 fs time resolution. We find that Förster-type models reproduce the experimentally observed 60 fs transfer times, but overestimate coupling constants, which lead to a disagreement with both linear absorption and electronic 2D-spectra. We show that a vibronic model, which treats carotenoid vibrations on both electronic ground and excited states as part of the system’s Hamiltonian, reproduces all measured quantities. Importantly, the vibronic model presented here can explain the fast energy transfer rates with only moderate coupling constants, which are in agreement with structure based calculations. Counterintuitively, the vibrational levels on the carotenoid electronic ground state play the central role in the excited state population transfer to bacteriochlorophyll; resonance between the donor-acceptor energy gap and the vibrational ground state energies is the physical basis of the ultrafast energy transfer rates in these systems.

  17. Vibronic coupling explains the ultrafast carotenoid-to-bacteriochlorophyll energy transfer in natural and artificial light harvesters

    International Nuclear Information System (INIS)

    Perlík, Václav; Seibt, Joachim; Šanda, František; Mančal, Tomáš; Cranston, Laura J.; Cogdell, Richard J.; Lincoln, Craig N.; Hauer, Jürgen; Savolainen, Janne

    2015-01-01

    The initial energy transfer steps in photosynthesis occur on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an artificial light-harvesting dyad system by using transient grating and two-dimensional electronic spectroscopy with 10 fs time resolution. We find that Förster-type models reproduce the experimentally observed 60 fs transfer times, but overestimate coupling constants, which lead to a disagreement with both linear absorption and electronic 2D-spectra. We show that a vibronic model, which treats carotenoid vibrations on both electronic ground and excited states as part of the system’s Hamiltonian, reproduces all measured quantities. Importantly, the vibronic model presented here can explain the fast energy transfer rates with only moderate coupling constants, which are in agreement with structure based calculations. Counterintuitively, the vibrational levels on the carotenoid electronic ground state play the central role in the excited state population transfer to bacteriochlorophyll; resonance between the donor-acceptor energy gap and the vibrational ground state energies is the physical basis of the ultrafast energy transfer rates in these systems

  18. Tunnel magnetoresistance of magnetic molecules with spin-vibron coupling

    Directory of Open Access Journals (Sweden)

    Ahmed Kenawy

    2017-05-01

    Full Text Available The effect of molecular vibrations on the tunnel magnetoresistance (TMR of a magnetic tunnel junction with a single spin-anisotropic molecule interconnecting its electrodes is investigated theoretically. We demonstrate that if these vibrations couple at the same time to the charge of tunneling electrons and to the spin of the molecule, the spin anisotropy of such a molecule becomes enhanced. This has, in turn, a profound impact on the TMR of such a device showing that molecular vibrations lead to a significant change of spin-polarized transport, differing for the parallel and antiparallel magnetic configuration of the junction.

  19. Vibronic coupling in ionized organic molecules: structural distortions and chemical reactions

    International Nuclear Information System (INIS)

    Williams, Ffrancon

    2003-01-01

    Ionized organic molecules (radical cations) in radiation chemistry are liable to undergo vibronic coupling whenever there is a relatively small energy gap (∼0.5-1.5 eV) between their ground and excited states. As a result of this mixing, the force constant for the symmetry-allowed vibrational mode that couples these states is lowered in the ground state of the radical cation so that deformation can take place more easily along this specific mode. This pseudo-Jahn-Teller effect can then result in a permanent structural distortion of the radical cation relative to the symmetry of the parent neutral molecule. It can also bring about an energetically favored pathway for a facile chemical rearrangement along a reaction coordinate defined by the coupling mode. Examples taken from matrix-isolation studies are used to illustrate these dramatic consequences of vibronic coupling in radical cations. Thus, the bicyclo[2.2.2]oct-2-ene and tetramethylurea radical cations are found to have twisted structures departing from the C 2v symmetry of their parent molecules, while the oxirane and bicyclo[1.1.1]pentane radical cations undergo ring-opening rearrangements along reaction coordinates that correspond to the deformational modes predicted by the pseudo-Jahn-Teller effect

  20. Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion.

    Science.gov (United States)

    Soudackov, Alexander V; Hammes-Schiffer, Sharon

    2015-11-21

    Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at high temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton

  1. Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

    International Nuclear Information System (INIS)

    Soudackov, Alexander V.; Hammes-Schiffer, Sharon

    2015-01-01

    Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at high temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton

  2. Vibronic coupling in ionized organic molecules. Structural distortions and chemical reactions

    International Nuclear Information System (INIS)

    Williams, F.

    2002-01-01

    Complete text of publication follows. Ionized organic molecules (radical cations, RC) are prone to undergo vibronic coupling whenever there is a relatively small energy gap ( 2v point group of the neutral parent molecule by twisting at the olefinic π bond to the lower C 2 symmetry in the RC (Chem. Eur. J. 2002, 8, 1074). These experiments clearly revealed a double minimum in the potential energy surface along the a 2 torsional mode. This is in accord with the coupling of the 2 B 1 and 2 B 2 Born-Oppenheimer states in C 2v symmetry, this mixing of the 2 B 1 π-ionized ground state and the 2 B 2 δ-ionized excited state being facilitated by the low (∼ 1.0 eV) gap between these states, as estimated from photoelectron spectroscopy. Turning to the second class of RC where unimolecular rearrangement reactions are promoted by vibronic interaction, several cases have emerged where the rearrangement would not be expected if it were based only on the ground-state properties of the RC. It was found (Chem. Phy. Lett. 1988, 143, 521) that the ethylene oxide RC undergoes C-C ring opening to the oxallyl species despite the fact that the ground state corresponds to ionization from the nonbonding oxygen π lone-pair orbital. The reaction develops excited-state character as a result of the vibronic mixing so that the activation barrier to ring opening is lowered. We will discuss the unusual rearrangements of the bicyclo[1.1.1.]pentane and [1.1.1]propellane RC from a similar perspective, emphasis being placed on the decisive role of symmetry in predicting the course of these rearrangements. We illustrate how this approach can reconcile conflicting considerations on some of the 'unexpected' reaction pathways followed by highly strained organic RC

  3. The coherence lifetime-borrowing effect in vibronically coupled molecular aggregates under non-perturbative system-environment interactions.

    Science.gov (United States)

    Yeh, Shu-Hao; Engel, Gregory S.; Kais, Sabre

    Recently it has been suggested that the long-lived coherences in some photosynthetic pigment-protein systems, such as the Fenna-Matthews-Olson complex, could be attributed to the mixing of the pigments' electronic and vibrational degrees of freedom. In order to verify whether this is the case and to understand its underlying mechanism, a theoretical model capable of including both the electronic excitations and intramolecular vibrational modes of the pigments is necessary. Our model simultaneously considers the electronic and vibrational degrees of freedom, treating the system-environment interactions non-perturbatively by implementing the hierarchical equations of motion approach. Here we report the simulated two-dimensional electronic spectra of vibronically coupled molecular dimers to demonstrate how the electronic coherence lifetimes can be extended by borrowing the lifetime from the vibrational coherences. Funded by Qatar National Research Fund and Qatar Environment and Energy Research Institute.

  4. Two-dimensional spectroscopy of a molecular dimer unveils the effects of vibronic coupling on exciton coherences

    NARCIS (Netherlands)

    Halpin, Alexei; Johnson, Philip J. M.; Tempelaar, Roel; Murphy, R. Scott; Knoester, Jasper; Jansen, Thomas L. C.; Miller, R. J. Dwayne

    The observation of persistent oscillatory signals in multidimensional spectra of protein-pigment complexes has spurred a debate on the role of coherence-assisted electronic energy transfer as a key operating principle in photosynthesis. Vibronic coupling has recently been proposed as an explanation

  5. Two-vibron bound states in the β–Fermi–Pasta–Ulam model

    International Nuclear Information System (INIS)

    Hu Xinguang; Tang Yi

    2008-01-01

    This paper studies the two-vibron bound states in the β–Fermi–Pasta–Ulam model by means of the number conserving approximation combined with the number state method. The results indicate that on-site, adjacent-site and mixed two-vibron bound states may exist in the model. Specially, wave number has a significant effect on such bound states, which may be considered as the quantum effects of the localized states in quantum systems. (condensed matter: structure, thermal and mechanical properties)

  6. Raman dispersion spectroscopy on the highly saddled nickel(II)-octaethyltetraphenylporphyrin reveals the symmetry of nonplanar distortions and the vibronic coupling strength of normal modes

    International Nuclear Information System (INIS)

    Schweitzer-Stenner, R.; Stichternath, A.; Dreybrodt, W.; Jentzen, W.; Song, X.; Shelnutt, J.A.; Nielsen, O.F.; Medforth, C.J.; Smith, K.M.

    1997-01-01

    We have measured the polarized Raman cross sections and depolarization ratios of 16 fundamental modes of nickel octaethyltetraphenylporphyrin in a CS 2 solution for 16 fundamental modes, i.e., the A 1g -type vibrations ν 1 , ν 2 , ν 3 , ν 4 , ν 5 , and φ 8 , the B 1g vibrations ν 11 and ν 14 , the B 2g vibrations ν 28 , ν 29 , and ν 30 and the antisymmetric A 2g modes ν 19 , ν 20 , ν 22 , and ν 23 as function of the excitation wavelength. The data cover the entire resonant regions of the Q- and B-bands. They were analyzed by use of a theory which describes intra- and intermolecular coupling in terms of a time-independent nonadiabatic perturbation theory [E. Unger, U. Bobinger, W. Dreybrodt, and R. Schweitzer-Stenner, J. Phys. Chem. 97, 9956 (1993)]. This approach explicitly accounts in a self-consistent way for multimode mixing with all Raman modes investigated. The vibronic coupling parameters obtained from this procedure were then used to successfully fit the vibronic side bands of the absorption spectrum and to calculate the resonance excitation profiles in absolute units. Our results show that the porphyrin macrocycle is subject to B 2u -(saddling) and B 1u -(ruffling) distortions which lower its symmetry to S 4 . Thus, evidence is provided that the porphyrin molecule maintains the nonplanar structure of its crystal phase in an organic solvent. The vibronic coupling parameters indicate a breakdown of the four-orbital model. This notion is corroborated by (ZINDO/S) calculations which reveal that significant configurational interaction occurs between the electronic transitions into |Q right-angle- and |1B right-angle-states and various porphyrin→porphyrin, metal→porphyrin, and porphyrin→metal transitions. (Abstract Truncated)

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

    Science.gov (United States)

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

    2018-03-01

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

  8. Vibronic dephasing model for coherent-to-incoherent crossover in DNA

    Science.gov (United States)

    Karasch, Patrick; Ryndyk, Dmitry A.; Frauenheim, Thomas

    2018-05-01

    In this paper, we investigate the interplay between coherent and incoherent charge transport in cytosine-guanine (GC-) rich DNA molecules. Our objective is to introduce a physically grounded approach to dephasing in large molecules and to understand the length-dependent charge transport characteristics, and especially the crossover from the coherent tunneling to incoherent hopping regime at different temperatures. Therefore, we apply the vibronic dephasing model and compare the results to the Büttiker probe model which is commonly used to describe decoherence effects in charge transport. Using the full ladder model and simplified one-dimensional model of DNA, we consider molecular junctions with alternating and stacked GC sequences and compare our results to recent experimental measurements.

  9. Quantum phase transition in the U(4) vibron model and the E(3) symmetry

    International Nuclear Information System (INIS)

    Zhang Yu; Hou Zhanfeng; Chen Huan; Wei Haiqing; Liu Yuxin

    2008-01-01

    We study the details of the U(3)-O(4) quantum phase transition in the U(4) vibron model. Both asymptotic analysis in the classical limit and rigorous calculations for finite boson number systems indicate that a second-order phase transition is still there even for the systems with boson number N ranging from tens to hundreds. Two kinds of effective order parameters, including E1 transition ratios B(E1:2 1 →1 1 )/B(E1:1 1 →0 1 ) and B(E1:0 2 →1 1 )/B(E1:1 1 →0 1 ), and the energy ratios E 2 1 /E 0 2 and E 3 1 /E 0 2 are proposed to identify the second-order phase transition in experiments. We also found that the critical point of phase transition can be approximately described by the E(3) symmetry, which persists even for moderate N∼10 protected by the scaling behaviors of quantities at the critical point. In addition, a possible empirical example exhibiting roughly the E(3) symmetry is discussed

  10. Coupled quantum treatment of vibrationally inelastic and vibronic charge transfer in proton-O2 collisions

    International Nuclear Information System (INIS)

    Gianturco, F.A.; Palma, A.; Semprini, E.; Stefani, F.; Baer, M.

    1990-01-01

    A three-dimensional quantum-mechanical study of vibrational, state-resolved differential cross sections (DCS) for the direct inelastic and for the charge-transfer scattering channels has been carried out for the H + +O 2 system. The collision energy considered was E c.m. =23.0 eV, which is the same as that examined by Noll and Toennies in their experiments [J. Chem. Phys. 85, 3313 (1986)]. The scattering treatment employed was the charge-transfer infinite-order sudden approximation (CT IOSA) with the vibrational states correctly expanded over the relevant adiabatic basis for each of the two electronic channels. The state-to-state DCS are found to follow closely the behavior of the experimental quantities, both in the inelastic and the charge-transfer channels. Moreover, a careful comparison between the measured relative probabilities and computed values allows us to test in minute detail the efficiency of the scattering model and the reliability of the potential-energy surfaces employed. It is found that vibrational energy transfer is overestimated in the vibrational inelastic channels while in the charge-transfer inelastic channels the same energy transfer is slightly underestimated by the calculations. The total flux distribution, however, is found to be in very good accord with experiments. Angular distributions are also well reproduced both by the DCS and by the average energy-transfer values. The study of some of the CT IOSA quantities also allows us to establish clearly the importance of nonadiabatic transitions in enhancing vibrational inelasticity in the present system

  11. Multi-State Vibronic Interactions in Fluorinated Benzene Radical Cations.

    Science.gov (United States)

    Faraji, S.; Köppel, H.

    2009-06-01

    Conical intersections of potential energy surfaces have emerged as paradigms for signalling strong nonadiabatic coupling effects. An important class of systems where some of these effects have been analyzed in the literature, are the benzene and benzenoid cations, where the electronic structure, spectroscopy, and dynamics have received great attention in the literature. In the present work a brief overview is given over our theoretical treatments of multi-mode and multi-state vibronic interactions in the benzene radical cation and some of its fluorinated derivatives. The fluorobenzene derivatives are of systematic interest for at least two different reasons. (1) The reduction of symmetry by incomplete fluorination leads to a disappearance of the Jahn-Teller effect present in the parent cation. (2) A specific, more chemical effect of fluorination consists in the energetic increase of the lowest σ-type electronic states of the radical cations. The multi-mode multi-state vibronic interactions between the five lowest electronic states of the fluorobenzene radical cations are investigated theoretically, based on ab initio electronic structure data, and employing the well-established linear vibronic coupling model, augmented by quadratic coupling terms for the totally symmetric vibrational modes. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of tilde{X}-tilde{A} and tilde{B}-tilde{C}-tilde{D} cationic states, while the interactions between these two sets of states are found to be weaker and depend on the particular isomer. This is attributed to the different location of the minima of the various conical intersections occurring in these systems. Wave-packet dynamical simulations for these coupled potential energy surfaces, utilizing the powerful multi-configuration time-dependent Hartree method are performed. Ultrafast internal conversion processes and the analysis of the MATI and photo-electron spectra shed new light

  12. Theory of Excitonic Delocalization for Robust Vibronic Dynamics in LH2.

    Science.gov (United States)

    Caycedo-Soler, Felipe; Lim, James; Oviedo-Casado, Santiago; van Hulst, Niek F; Huelga, Susana F; Plenio, Martin B

    2018-06-11

    Nonlinear spectroscopy has revealed long-lasting oscillations in the optical response of a variety of photosynthetic complexes. Different theoretical models that involve the coherent coupling of electronic (excitonic) or electronic-vibrational (vibronic) degrees of freedom have been put forward to explain these observations. The ensuing debate concerning the relevance of either mechanism may have obscured their complementarity. To illustrate this balance, we quantify how the excitonic delocalization in the LH2 unit of Rhodopseudomonas acidophila purple bacterium leads to correlations of excitonic energy fluctuations, relevant coherent vibronic coupling, and importantly, a decrease in the excitonic dephasing rates. Combining these effects, we identify a feasible origin for the long-lasting oscillations observed in fluorescent traces from time-delayed two-pulse single-molecule experiments performed on this photosynthetic complex and use this approach to discuss the role of this complementarity in other photosynthetic systems.

  13. Mixed-valence molecular four-dot unit for quantum cellular automata: Vibronic self-trapping and cell-cell response.

    Science.gov (United States)

    Tsukerblat, Boris; Palii, Andrew; Clemente-Juan, Juan Modesto; Coronado, Eugenio

    2015-10-07

    Our interest in this article is prompted by the vibronic problem of charge polarized states in the four-dot molecular quantum cellular automata (mQCA), a paradigm for nanoelectronics, in which binary information is encoded in charge configuration of the mQCA cell. Here, we report the evaluation of the electronic levels and adiabatic potentials of mixed-valence (MV) tetra-ruthenium (2Ru(ii) + 2Ru(iii)) derivatives (assembled as two coupled Creutz-Taube complexes) for which molecular implementations of quantum cellular automata (QCA) was proposed. The cell based on this molecule includes two holes shared among four spinless sites and correspondingly we employ the model which takes into account the two relevant electron transfer processes (through the side and through the diagonal of the square) as well as the difference in Coulomb energies for different instant positions of localization of the hole pair. The combined Jahn-Teller (JT) and pseudo JT vibronic coupling is treated within the conventional Piepho-Krauzs-Schatz model adapted to a bi-electronic MV species with the square-planar topology. The adiabatic potentials are evaluated for the low lying Coulomb levels in which the antipodal sites are occupied, the case just actual for utilization in mQCA. The conditions for the vibronic self-trapping in spin-singlet and spin-triplet states are revealed in terms of the two actual transfer pathways parameters and the strength of the vibronic coupling. Spin related effects in degrees of the localization which are found for spin-singlet and spin-triplet states are discussed. The polarization of the cell is evaluated and we demonstrate how the partial delocalization caused by the joint action of the vibronic coupling and electron transfer processes influences polarization of a four-dot cell. The results obtained within the adiabatic approach are compared with those based on the numerical solution of the dynamic vibronic problem. Finally, the Coulomb interaction between

  14. Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD+

    Science.gov (United States)

    Condoluci, J.; Janardan, S.; Calvin, A. T.; Rugango, R.; Shu, G.; Sherrill, C. D.; Brown, K. R.

    2017-12-01

    We observe vibronic transitions in CaD+ between the 11Σ and 21Σ electronic states by resonance enhanced multiphoton photodissociation spectroscopy in a Coulomb crystal. The vibronic transitions are compared with previous measurements on CaH+. The result is a revised assignment of the CaH+ vibronic levels and a disagreement with multi-state-complete-active-space second-order perturbation theory theoretical calculations by approximately 700 cm-1. Updated high-level coupled-cluster calculations that include core-valence correlations reduce the disagreement between theory and experiment to 300 cm-1.

  15. Vibronic oscillator strengths in cubic systems. I.- The adsorption spectrum of Tm+3

    International Nuclear Information System (INIS)

    Acevedo, R.; Hurtado, O.F.; Meruane, T.

    2000-01-01

    A symmetry adapted vibronic crystal field-ligand polarisation scheme is utilised with reference to the elpasolite type system, to gain understanding about the role played by both the electronic and the vibrational factors in the absorption intensity mechanisms of various selected excitation in this crystal. The calculation is performed assuming: The coupling among the internal and the external vibrations is negligible and therefore a seven atom system may be employed (though, we recognise that the vibrational frequencies values depend en several factors; among others the nature of both the host and the temperature. Additionally, no attempt has been made to include corrections due to spectral line shapes and to the shapes of the potential energy hypersurfaces associated with the terminal electronic terminal states). We have included some sophistication as for both the electronic and the vibrational wavefunctions are concerned. Three different set of electronic wavefunctions are reported and the sensitivity of the estimated overall vibronic intensities on both electronic and vibrational factors is tested against the experimental data , with reference to the 10K absorption spectrum. At this stage, we have excluded , the effects of both concentration and pressure upon the observed vibronic intensities, though new experiments and model calculations are needed. In this article, we report calculations for the whole set of transitions associated with the (a) , (b) and (c) .Our model calculation is based upon a minimum set of parameters to be fitted from experiment, mainly because. our main target is to advance the knowledge on mechanistic factors and the most likely paths for both emission and absorption for these type systems

  16. Rabi-vibronic resonance with large number of vibrational quanta

    OpenAIRE

    Glenn, R.; Raikh, M. E.

    2011-01-01

    We study theoretically the Rabi oscillations of a resonantly driven two-level system linearly coupled to a harmonic oscillator (vibrational mode) with frequency, \\omega_0. We show that for weak coupling, \\omega_p \\ll \\omega_0, where \\omega_p is the polaronic shift, Rabi oscillations are strongly modified in the vicinity of the Rabi-vibronic resonance \\Omega_R = \\omega_0, where \\Omega_R is the Rabi frequency. The width of the resonance is (\\Omega_R-\\omega_0) \\sim \\omega_p^{2/3} \\omega_0^{1/3} ...

  17. Using the Model Coupling Toolkit to couple earth system models

    Science.gov (United States)

    Warner, J.C.; Perlin, N.; Skyllingstad, E.D.

    2008-01-01

    Continued advances in computational resources are providing the opportunity to operate more sophisticated numerical models. Additionally, there is an increasing demand for multidisciplinary studies that include interactions between different physical processes. Therefore there is a strong desire to develop coupled modeling systems that utilize existing models and allow efficient data exchange and model control. The basic system would entail model "1" running on "M" processors and model "2" running on "N" processors, with efficient exchange of model fields at predetermined synchronization intervals. Here we demonstrate two coupled systems: the coupling of the ocean circulation model Regional Ocean Modeling System (ROMS) to the surface wave model Simulating WAves Nearshore (SWAN), and the coupling of ROMS to the atmospheric model Coupled Ocean Atmosphere Prediction System (COAMPS). Both coupled systems use the Model Coupling Toolkit (MCT) as a mechanism for operation control and inter-model distributed memory transfer of model variables. In this paper we describe requirements and other options for model coupling, explain the MCT library, ROMS, SWAN and COAMPS models, methods for grid decomposition and sparse matrix interpolation, and provide an example from each coupled system. Methods presented in this paper are clearly applicable for coupling of other types of models. ?? 2008 Elsevier Ltd. All rights reserved.

  18. Vibrational and vibronic coherences in the dynamics of the FMO complex

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaomeng; Kühn, Oliver, E-mail: oliver.kuehn@uni-rostock.de

    2016-12-20

    The coupled exciton–vibrational dynamics of a seven site Frenkel exciton model of the Fenna–Matthews–Olson (FMO) complex is investigated using a Quantum Master Equation approach. Thereby, one vibrational mode per monomer is treated explicitly as being part of the relevant system. Emphasis is put on the comparison of this model with that of a purely excitonic relevant system. Further, the effects of two different approximations to the exciton–vibrational basis are investigated, namely the one- and two-particle description. Analysis of the vibronic and vibrational density matrix in the site basis points to the importance of on- and inter-site coherences for the exciton transfer. Here, one- and two-particle approximations give rise to qualitatively different results.

  19. COUPLED CHEMOTAXIS FLUID MODEL

    KAUST Repository

    LORZ, ALEXANDER

    2010-06-01

    We consider a model system for the collective behavior of oxygen-driven swimming bacteria in an aquatic fluid. In certain parameter regimes, such suspensions of bacteria feature large-scale convection patterns as a result of the hydrodynamic interaction between bacteria. The presented model consist of a parabolicparabolic chemotaxis system for the oxygen concentration and the bacteria density coupled to an incompressible Stokes equation for the fluid driven by a gravitational force of the heavier bacteria. We show local existence of weak solutions in a bounded domain in d, d = 2, 3 with no-flux boundary condition and in 2 in the case of inhomogeneous Dirichlet conditions for the oxygen. © 2010 World Scientific Publishing Company.

  20. Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes.

    Science.gov (United States)

    Xie, Yu; Jiang, Shengshi; Zheng, Jie; Lan, Zhenggang

    2017-12-21

    Photoinduced excited-state electron and energy transfer processes are crucial in biological photoharvesting systems and organic photovoltaic devices. We discuss the construction of a diabatic vibronic Hamiltonian for the proper treatment of these processes involving the projection approach acting on both electronic wave functions and vibrational modes. In the electronic part, the wave function projection approach is used to construct the diabatic Hamiltonian in which both local excited states and charge-transfer states are included on the same footing. For the vibrational degrees of freedom, the vibronic couplings in the diabatic Hamiltonian are obtained in the basis of the pseudonormal modes localized on each monomer site by applying delocalized-to-localized mode projection. This systematic approach allows us to construct the vibronic diabatic Hamiltonian in molecular aggregates.

  1. The characterization of the high-frequency vibronic contributions to the 77 K emission spectra of ruthenium-am(m)ine-bipyridyl complexes, their attenuation with decreasing energy gaps, and the implications of strong electronic coupling for inverted-region electron transfer.

    Science.gov (United States)

    Xie, Puhui; Chen, Yuan-Jang; Uddin, Md Jamal; Endicott, John F

    2005-06-02

    The 77 K emission spectra of a series of [Ru(Am)6-2n(bpy)n]2+ complexes (n = 1-3) have been determined in order to evaluate the effects of appreciable excited state (e)/ground state (g) configurational mixing on the properties of simple electron-transfer systems. The principal focus is on the vibronic contributions, and the correlated distortions of the bipyridine ligand in the emitting MLCT excited state. To address the issues that are involved, the emission band shape at 77 K is interpreted as the sum of a fundamental component, corresponding to the {e,0'} --> {g,0} transition, and progressions in the ground-state vibrational modes that correlate with the excited-state distortion. Literature values of the vibrational parameters determined from the resonance-Raman (rR) for [Ru(NH3)4bpy]2+ and [Ru(bpy)3]2+ are used to model the emission spectra and to evaluate the spectral analysis. The Gaussian fundamental component with an energy Ef and bandwidth Deltanu1/2 is deconvoluted from the observed emission spectrum. The first-, second-, and third-order terms in the progressions of the vibrational modes that contribute to the band shape are evaluated as the sums of Gaussian-shaped contributions of width Deltanu1/2. The fundamental and the rR parameters give an excellent fit of the observed emission spectrum of [Ru(NH3)4bpy]2+, but not as good for the [Ru(bpy)3]2+ emission spectrum probably because the Franck-Condon excited state probed by the rR is different in symmetry from the emitting MLCT excited state. Variations in vibronic contributions for the series of complexes are evaluated in terms of reorganizational energy profiles (emreps, Lambdax) derived from the observed spectra, and modeled using the rR parameters. This modeling demonstrates that most of the intensity of the vibronic envelopes obtained from the frozen solution emission spectra arises from the overlapping of first-order vibronic contributions of significant bandwidth with additional convoluted

  2. Understanding the electron-phonon interaction in polar crystals: Perspective presented by the vibronic theory

    Science.gov (United States)

    Pishtshev, A.; Kristoffel, N.

    2017-05-01

    We outline our novel results relating to the physics of the electron-TO-phonon (el-TO-ph) interaction in a polar crystal. We explained why the el-TO-ph interaction becomes effectively strong in a ferroelectric, and showed how the electron density redistribution establishes favorable conditions for soft-behavior of the long-wavelength branch of the active TO vibration. In the context of the vibronic theory it has been demonstrated that at the macroscopic level the interaction of electrons with the polar zone-centre TO phonons can be associated with the internal long-range dipole forces. Also we elucidated a methodological issue of how local field effects are incorporated within the vibronic theory. These result provided not only substantial support for the vibronic mechanism of ferroelectricity but also presented direct evidence of equivalence between vibronic and the other lattice dynamics models. The corresponding comparison allowed us to introduce the original parametrization for constants of the vibronic interaction in terms of key material constants. The applicability of the suggested formula has been tested for a wide class of polar materials.

  3. Engineering an all-optical route to ultracold molecules in their vibronic ground state

    OpenAIRE

    Koch, Christiane P.; Moszynski, Robert

    2008-01-01

    We propose an improved photoassociation scheme to produce ultracold molecules in their vibronic ground state for the generic case where non-adiabatic effects facilitating transfer to deeply bound levels are absent. Formation of molecules is achieved by short laser pulses in a Raman-like pump-dump process where an additional near-infrared laser field couples the excited state to an auxiliary state. The coupling due to the additional field effectively changes the shape of the excited state pote...

  4. Non vertical vibronic transitions in atom molecule collisions

    International Nuclear Information System (INIS)

    Klomp, U.C.

    1982-01-01

    This thesis is mainly devoted to an experimental and theoretical study on vibronic transitions which occur in collisions between an alkali atom and several diatomic molecules. An experimental study on electron and ion production in repulsive Cs-CO and Cs-N 2 collisions, and in Cs-NO and Cs-O 2 non-repulsive collisions is presented. The experimental data are discussed in terms of some existing models. It is clear that a new consistent theory on vibronic transitions is needed to explain the experimental data. Such a theory is presented, and it is shown that some existing models are limiting cases of this theory. An experimental study on the relative probabilities for ion and electron production in collisions between a Na, K or Cs atom and an O 2 or NO molecule is also described. These experiments suggest that the incident velocity of the alkali atoms has a predominant influence on the relative probabilities for ion and electron production in these collisions. (Auth.)

  5. COUPLED CHEMOTAXIS FLUID MODEL

    KAUST Repository

    LORZ, ALEXANDER

    2010-01-01

    We consider a model system for the collective behavior of oxygen-driven swimming bacteria in an aquatic fluid. In certain parameter regimes, such suspensions of bacteria feature large-scale convection patterns as a result of the hydrodynamic

  6. Quasi-classical approaches to vibronic spectra revisited

    Science.gov (United States)

    Karsten, Sven; Ivanov, Sergei D.; Bokarev, Sergey I.; Kühn, Oliver

    2018-03-01

    The framework to approach quasi-classical dynamics in the electronic ground state is well established and is based on the Kubo-transformed time correlation function (TCF), being the most classical-like quantum TCF. Here we discuss whether the choice of the Kubo-transformed TCF as a starting point for simulating vibronic spectra is as unambiguous as it is for vibrational ones. Employing imaginary-time path integral techniques in combination with the interaction representation allowed us to formulate a method for simulating vibronic spectra in the adiabatic regime that takes nuclear quantum effects and dynamics on multiple potential energy surfaces into account. Further, a generalized quantum TCF is proposed that contains many well-established TCFs, including the Kubo one, as particular cases. Importantly, it also provides a framework to construct new quantum TCFs. Applying the developed methodology to the generalized TCF leads to a plethora of simulation protocols, which are based on the well-known TCFs as well as on new ones. Their performance is investigated on 1D anharmonic model systems at finite temperatures. It is shown that the protocols based on the new TCFs may lead to superior results with respect to those based on the common ones. The strategies to find the optimal approach are discussed.

  7. Prospects for coupled modelling

    Energy Technology Data Exchange (ETDEWEB)

    Savage, D.

    2012-07-01

    Clay-based buffer and tunnel backfill materials are important barriers in the KBS- 3 repository concept for final disposal of spent nuclear fuel in Finland. Significant changes can be expected to occur to the properties and behaviour of buffer and backfill, especially during re-saturation and through the thermal period. Reactions will occur in response to thermal and chemical gradients, induced by the thermal output of the spent fuel and at interfaces between different barrier materials, such as cement/clay, steel/clay etc. Processes of ion exchange, mineral dissolution and precipitation, and swelling can lead to significant re-distribution of mass and evolution of physical properties so that reliable predictive modelling of future behaviour and properties must be made. This report evaluates the current status of modelling of buffer and backfill evolution and tries to assess the potential future capabilities in the short- to medium-term (5-10 years) in a number of technical areas: (1) Non-isothermal (T-H-M-C-B) modelling and the potential for cementation, (2) The consistency of models, (3) Swelling pressure, (4) Cement-bentonite interactions, (5) Iron-bentonite interactions, (6) Mechanical (shear) behavior, and (7) Bentonite erosion.

  8. Vibronic-structure tracking: A shortcut for vibrationally resolved UV/Vis-spectra calculations

    Energy Technology Data Exchange (ETDEWEB)

    Barton, Dennis; König, Carolin; Neugebauer, Johannes, E-mail: j.neugebauer@uni-muenster.de [Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster (Germany)

    2014-10-28

    The vibrational coarse structure and the band shapes of electronic absorption spectra are often dominated by just a few molecular vibrations. By contrast, the simulation of the vibronic structure even in the simplest theoretical models usually requires the calculation of the entire set of normal modes of vibration. Here, we exploit the idea of the mode-tracking protocol [M. Reiher and J. Neugebauer, J. Chem. Phys. 118, 1634 (2003)] in order to directly target and selectively calculate those normal modes which have the largest effect on the vibronic band shape for a certain electronic excitation. This is achieved by defining a criterion for the importance of a normal mode to the vibrational progressions in the absorption band within the so-called “independent mode, displaced harmonic oscillator” (IMDHO) model. We use this approach for a vibronic-structure investigation for several small test molecules as well as for a comparison of the vibronic absorption spectra of a truncated chlorophyll a model and the full chlorophyll a molecule. We show that the method allows to go beyond the often-used strategy to simulate absorption spectra based on broadened vertical excitation peaks with just a minimum of computational effort, which in case of chlorophyll a corresponds to about 10% of the cost for a full simulation within the IMDHO approach.

  9. VIBRONIC PROGRESSIONS IN SEVERAL DIFFUSE INTERSTELLAR BANDS

    International Nuclear Information System (INIS)

    Duley, W. W.; Kuzmin, Stanislav

    2010-01-01

    A number of vibronic progressions based on low-energy vibrational modes of a large molecule have been found in the diffuse interstellar band (DIB) spectrum of HD 183143. Four active vibrational modes have been identified with energies at 5.18 cm -1 , 21.41 cm -1 , 31.55 cm -1 , and 34.02 cm -1 . The mode at 34.02 cm -1 was previously recognized by Herbig. Four bands are associated with this molecule, with origins at 6862.61 A, 6843.64 A, 6203.14 A, and 5545.11 A (14589.1 cm -1 , 14608.08 cm -1 , 16116.41 cm -1 , and 18028.9 cm -1 , respectively). The progressions are harmonic and combination bands are observed involving all modes. The appearance of harmonic, rather than anharmonic, terms in these vibronic progressions is consistent with torsional motion of pendant rings, suggesting that the carrier is a 'floppy' molecule. Some constraints on the type and size of the molecule producing these bands are discussed.

  10. Vibronic Spectroscopy of the Phenylcyanomethyl Radical

    Science.gov (United States)

    Mehta, Deepali N.; Kidwell, Nathanael M.; Zwier, Timothy S.

    2011-06-01

    Resonance stabilized radicals (RSRs) are thought to be key intermediates in the formation of larger molecules in planetary atmospheres. Given the nitrogen-rich atmosphere of Titan, and the prevalence of nitriles there, it is likely that nitrile and isonitrile RSRs could be especially important in pathways leading to the formation of more complex nitrogen-containing compounds and the aerosols ("tholins") that are ultimately produced. In this talk, the results of a gas phase, jet-cooled vibronic spectroscopy study of the phenylcyanomethyl radical (C_6H_5.{C}HCN), the nitrogen-containing analog of the 1-phenylpropargyl radical, will be presented. A resonant two color photon ionization spectrum over the range 21,350-22,200 Cm-1 (450.0-468.0 nm) has been recorded, and the D_0-D_1 origin band has been tentatively identified at 21,400 Cm-1. Studies identifying the ionization threshold, and characterizing the vibronic structure will also be presented. An analogous study of the phenylisocyanomethyl radical, C_6H_5.{C}HNC, is currently being pursued for comparison with that of phenylcyanomethyl radical.

  11. Tunneling Splittings in Vibronic Structure of CH_3F^+ ( X^2E): Studied by High Resolution Photoelectron Spectra and AB Initio Theoretical Method

    Science.gov (United States)

    Mo, Yuxiang; Gao, Shuming; Dai, Zuyang; Li, Hua

    2013-06-01

    We report a combined experimental and theoretical study on the vibronic structure of CH_3F^+. The results show that the tunneling splittings of vibrational energy levels occur in CH_3F^+ due to the Jahn-Teller effect. Experimentally, we have measured a high resolution ZEKE spectrum of CH_3F up to 3500 cm^-^1 above the ground state. Theoretically, we performed an ab initio calculation based on the diabatic model. The adiabatic potential energy surfaces (APES) of CH_3F^+ have been calculated at the MRCI/CAS/avq(t)z level and expressed by Taylor expansions with normal coordinates as variables. The energy gradients for the lower and upper APES, the derivative couplings between them and also the energies of the APES have been used to determine the coefficients in the Taylor expansion. The spin-vibronic energy levels have been calculated by accounting all six vibrational modes and their couplings. The experimental ZEKE spectra were assigned based on the theoretical calculations. W. Domcke, D. R. Yarkony, and H. Köpple (Eds.), Conical Intersections: Eletronic Structure, Dynamics and Spectroscopy (World Scientific, Singapore, 2004). M. S. Schuurman, D. E. Weinberg, and D. R. Yarkony, J. Chem. Phys. 127, 104309 (2007).

  12. Modeling of Coupled Chaotic Oscillators

    International Nuclear Information System (INIS)

    Lai, Y.; Grebogi, C.

    1999-01-01

    Chaotic dynamics may impose severe limits to deterministic modeling by dynamical equations of natural systems. We give theoretical argument that severe modeling difficulties may occur for high-dimensional chaotic systems in the sense that no model is able to produce reasonably long solutions that are realized by nature. We make these ideas concrete by investigating systems of coupled chaotic oscillators. They arise in many situations of physical and biological interests, and they also arise from discretization of nonlinear partial differential equations. copyright 1999 The American Physical Society

  13. Fractional dynamical model for neurovascular coupling

    KAUST Repository

    Belkhatir, Zehor; Laleg-Kirati, Taous-Meriem

    2014-01-01

    The neurovascular coupling is a key mechanism linking the neural activity to the hemodynamic behavior. Modeling of this coupling is very important to understand the brain function but it is at the same time very complex due to the complexity

  14. Further development of the coupling model

    International Nuclear Information System (INIS)

    Kreuser, A.; Stiller, J.C.; Peschke, J.

    2006-01-01

    Uncertainties arising from different sources have to be considered for the quantification of common cause failures (CCFs). At GRS a CCF model (coupling model) has been developed for the estimation of CCF probabilities. An essential feature of the coupling model is the consideration of these uncertainties by using Bayesian estimation methods. Experiences from applying the coupling model to CCF event data over several years and analyzing the results in detail has led to improvements in the application of the model. In this paper the improved methodology of the coupling model is presented. Special emphasis is given to the description of the sources of uncertainties which are considered in the coupling model and the mathematical methodology, how these uncertainties are represented and propagated through the model. In closing topics of future improvements of the coupling models are discussed. (orig.)

  15. 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.

  16. Vibronic intensities for Er3+ in Cs2 NaErCl6

    International Nuclear Information System (INIS)

    Acevedo, R.; Navarro, G.; Meruane, T.

    2001-01-01

    In this current study, we have undertaken vibronic intensity calculations for the absorptions (( 4 I 15/2 ) Γ k ) → (( 4 I 13/2 ) Γ l ) of the Er 3+ in the Cs 2 NaErCl 6 elpasolite type system. This system is extremely complicated to handle from both a theoretical and an experimental viewpoints. This theoretical work shows that over an energy range of about 400 cm -1 , a substantial amount of transitions are likely to take place (about 100 transitions; twenty five of them are magnetic dipole allowed and seventy five are vibronically allowed). It is then a formidable task to identify and assign all of these transitions in a non-ambiguous way. Also the experimental evidence available for these absorptions is related to a total of about twenty lines in the luminescence spectrum of this system. The spectrum itself is very challenging and the superposition of spectral features is most likely to occur. A careful analysis of the calculated vibronic intensities and overall oscillator strengths for the various transitions indicates that the current model used is both flexible and appropriate to deal with this kind of systems. In a forthcoming paper, we will examine the rather unusual high intensity associated with the (( 4 I 15/2 ) Γ k ) → (( 4 S 3/2 ) Γ l ) excitations. (Author)

  17. Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature.

    Science.gov (United States)

    Huh, Joonsuk; Yung, Man-Hong

    2017-08-07

    Molecular vibroic spectroscopy, where the transitions involve non-trivial Bosonic correlation due to the Duschinsky Rotation, is strongly believed to be in a similar complexity class as Boson Sampling. At finite temperature, the problem is represented as a Boson Sampling experiment with correlated Gaussian input states. This molecular problem with temperature effect is intimately related to the various versions of Boson Sampling sharing the similar computational complexity. Here we provide a full description to this relation in the context of Gaussian Boson Sampling. We find a hierarchical structure, which illustrates the relationship among various Boson Sampling schemes. Specifically, we show that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance of Gaussian Boson Sampling without initial correlation, with only a polynomial overhead. Since every Gaussian state is associated with a thermal state, our result implies that every sampling problem in molecular vibronic transitions, at any temperature, can be simulated by Gaussian Boson Sampling associated with a product of vacuum modes. We refer such a generalized Gaussian Boson Sampling motivated by the molecular sampling problem as Vibronic Boson Sampling.

  18. Generalized coupling in the Kuramoto model

    DEFF Research Database (Denmark)

    Filatrella, G.; Pedersen, Niels Falsig; Wiesenfeld, K.

    2007-01-01

    We propose a modification of the Kuramoto model to account for the effective change in the coupling constant among the oscillators, as suggested by some experiments on Josephson junction, laser arrays, and mechanical systems, where the active elements are turned on one by one. The resulting model...... with the behavior of Josephson junctions coupled via a cavity....

  19. Vibronic coupling in the excited-states of carotenoids

    Energy Technology Data Exchange (ETDEWEB)

    Miki, Takeshi [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg; Germany; Buckup, Tiago [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg; Germany; Krause, Marie S. [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg; Germany; Southall, June [College of Medical; Veterinary, and Life Science; University of Glasgow; G12 8QQ Glasgow; UK; Cogdell, Richard J. [College of Medical; Veterinary, and Life Science; University of Glasgow; G12 8QQ Glasgow; UK; Motzkus, Marcus [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg; Germany

    2016-01-01

    The ultrafast femtochemistry of carotenoids is governed by the interaction between electronic excited states, which has been explained by the relaxation dynamics within a few hundred femtoseconds from the lowest optically allowed excited state S2to the optically dark state S1.

  20. Coupled models in dam engineering

    OpenAIRE

    González Gutiérrez, María De Los Ángeles

    2016-01-01

    Rock ll dams are certainly one of the most important engineering structures due to their economic advantages and exible design. Unfortunately their vulnerability to overtopping still remains their weakest point. For that reason, several research groups are interested in both the numerical and experimental analysis of this phenomenon. In this work we focused on the numerical analysis. The previous work developed in CIMNE on a coupled PFEM-Eulerian free surface Compu- tational...

  1. Modeling of supermodes in coupled unstable resonators

    International Nuclear Information System (INIS)

    Townsend, S.S.

    1986-01-01

    A general formalism describing the supermodes of an array of N identical, circulantly coupled resonators is presented. The symmetry of the problem results in a reduction of the N coupled integral equations to N decoupled integral equations. Each independent integral equation defines a set of single-resonator modes derived for a hypothetical resonator whose geometry resembles a member of the real array with the exception that all coupling beams are replaced by feedback beams, each with a prescribed constant phase. A given array supermode consists of a single equivalent resonator mode appearing repetitively in each resonator with a prescribed relative phase between individual resonators. The specific array design chosen for example is that of N adjoint coupled confocal unstable resonators. The impact of coupling on the computer modeling of this system is discussed and computer results for the cases of two- and four-laser coupling are presented

  2. Ab initio ro-vibronic spectroscopy of SiCCl (X{sup ~2}Π)

    Energy Technology Data Exchange (ETDEWEB)

    Brites, Vincent [Université d’Evry Val d’Essonne, Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, LAMBE CNRS UMR 8587, Boulevard F. Mitterrand, 91025 Evry Cedex (France); Mitrushchenkov, Alexander O.; Léonard, Céline, E-mail: celine.leonard@u-pem.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Peterson, Kirk A. [Department of Chemistry, Washington State University, Pullman, Washington 99164 (United States)

    2014-07-21

    The full dimensional potential energy surfaces of the {sup 2}A{sup ′} and {sup 2}A{sup ′′} electronic components of X{sup ~2}Π SiCCl have been computed using the explicitly correlated coupled cluster method, UCCSD(T)-F12b, combined with a composite approach taking into account basis set incompleteness, core-valence correlation, scalar relativity, and higher order excitations. The spin-orbit and dipole moment surfaces have also been computed ab initio. The ro-vibronic energy levels and absorption spectrum at 5 K have been determined from variational calculations. The influence of each correction on the fundamental frequencies is discussed. An assignment is proposed for bands observed in the LIF experiment of Smith et al. [J. Chem. Phys. 117, 6446 (2002)]. The overall agreement between the experimental and calculated ro-vibronic levels is better than 7 cm{sup −1} which is comparable with the 10–20 cm{sup −1} resolution of the emission spectrum.

  3. On the Magnitude of the Nonadiabatic Error for Highly Coupled Radicals

    Science.gov (United States)

    Stanton, J. F.

    2009-06-01

    A review is given of recent advances in the construction of (quasi)diabatic model Hamiltonians and their application to analyzing the spectroscopy of molecules with strong vibronic coupling. A numerical application to the vibronic levels of the BNB radical below 0.6 eV is presented, together with corresponding adiabatic (quantum chemistry) calculations. The agreement with the experimental levels is nearly quantitative with the model Hamiltonian, attesting to the power of the approach. On the contrary, it is also revealed that the magnitude of the nonadiabatic contributions to the zero-point energy and the lowest fundamental frequency of the coupling mode are considerably larger than expected, at least by your narrator.

  4. Coupled wake boundary layer model of windfarms

    Science.gov (United States)

    Stevens, Richard; Gayme, Dennice; Meneveau, Charles

    2014-11-01

    We present a coupled wake boundary layer (CWBL) model that describes the distribution of the power output in a windfarm. The model couples the traditional, industry-standard wake expansion/superposition approach with a top-down model for the overall windfarm boundary layer structure. Wake models capture the effect of turbine positioning, while the top-down approach represents the interaction between the windturbine wakes and the atmospheric boundary layer. Each portion of the CWBL model requires specification of a parameter that is unknown a-priori. The wake model requires the wake expansion rate, whereas the top-down model requires the effective spanwise turbine spacing within which the model's momentum balance is relevant. The wake expansion rate is obtained by matching the mean velocity at the turbine from both approaches, while the effective spanwise turbine spacing is determined from the wake model. Coupling of the constitutive components of the CWBL model is achieved by iterating these parameters until convergence is reached. We show that the CWBL model predictions compare more favorably with large eddy simulation results than those made with either the wake or top-down model in isolation and that the model can be applied successfully to the Horns Rev and Nysted windfarms. The `Fellowships for Young Energy Scientists' (YES!) of the Foundation for Fundamental Research on Matter supported by NWO, and NSF Grant #1243482.

  5. Fractional dynamical model for neurovascular coupling

    KAUST Repository

    Belkhatir, Zehor

    2014-08-01

    The neurovascular coupling is a key mechanism linking the neural activity to the hemodynamic behavior. Modeling of this coupling is very important to understand the brain function but it is at the same time very complex due to the complexity of the involved phenomena. Many studies have reported a time delay between the neural activity and the cerebral blood flow, which has been described by adding a delay parameter in some of the existing models. An alternative approach is proposed in this paper, where a fractional system is used to model the neurovascular coupling. Thanks to its nonlocal property, a fractional derivative is suitable for modeling the phenomena with delay. The proposed model is coupled with the first version of the well-known balloon model, which relates the cerebral blood flow to the Blood Oxygen Level Dependent (BOLD) signal measured using functional Magnetic Resonance Imaging (fMRI). Through some numerical simulations, the properties of the fractional model are explained and some preliminary comparisons to a real BOLD data set are provided. © 2014 IEEE.

  6. Strongly coupled models at the LHC

    International Nuclear Information System (INIS)

    Vries, Maikel de

    2014-10-01

    In this thesis strongly coupled models where the Higgs boson is composite are discussed. These models provide an explanation for the origin of electroweak symmetry breaking including a solution for the hierarchy problem. Strongly coupled models provide an alternative to the weakly coupled supersymmetric extensions of the Standard Model and lead to different and interesting phenomenology at the Large Hadron Collider (LHC). This thesis discusses two particular strongly coupled models, a composite Higgs model with partial compositeness and the Littlest Higgs model with T-parity - a composite model with collective symmetry breaking. The phenomenology relevant for the LHC is covered and the applicability of effective operators for these types of strongly coupled models is explored. First, a composite Higgs model with partial compositeness is discussed. In this model right-handed light quarks could be significantly composite, yet compatible with experimental searches at the LHC and precision tests on Standard Model couplings. In these scenarios, which are motivated by flavour physics, large cross sections for the production of new resonances coupling to light quarks are expected. Experimental signatures of right-handed compositeness at the LHC are studied, and constraints on the parameter space of these models are derived using recent results by ATLAS and CMS. Furthermore, dedicated searches for multi-jet signals at the LHC are proposed which could significantly improve the sensitivity to signatures of right-handed compositeness. The Littlest Higgs model with T-parity, providing an attractive solution to the fine-tuning problem, is discussed next. This solution is only natural if its intrinsic symmetry breaking scale f is relatively close to the electroweak scale. The constraints from the latest results of the 8 TeV run at the LHC are examined. The model's parameter space is being excluded based on a combination of electroweak precision observables, Higgs precision

  7. Natural climate variability in a coupled model

    International Nuclear Information System (INIS)

    Zebiak, S.E.; Cane, M.A.

    1990-01-01

    Multi-century simulations with a simplified coupled ocean-atmosphere model are described. These simulations reveal an impressive range of variability on decadal and longer time scales, in addition to the dominant interannual el Nino/Southern Oscillation signal that the model originally was designed to simulate. Based on a very large sample of century-long simulations, it is nonetheless possible to identify distinct model parameter sensitivities that are described here in terms of selected indices. Preliminary experiments motivated by general circulation model results for increasing greenhouse gases suggest a definite sensitivity to model global warming. While these results are not definitive, they strongly suggest that coupled air-sea dynamics figure prominently in global change and must be included in models for reliable predictions

  8. Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex

    Energy Technology Data Exchange (ETDEWEB)

    Haverkate, Lucas A.; Mulder, Fokko M. [Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft (Netherlands); Zbiri, Mohamed, E-mail: zbiri@ill.fr; Johnson, Mark R. [Institut Laue Langevin, 38042 Grenoble Cedex 9 (France); Carter, Elizabeth [Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008 (Australia); Kotlewski, Arek; Picken, S. [ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL/136 Delft (Netherlands); Kearley, Gordon J. [Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234 (Australia)

    2014-01-07

    Discotic liquid crystalline (DLC) charge transfer (CT) complexes combine visible light absorption and rapid charge transfer characteristics, being favorable properties for photovoltaic (PV) applications. We present a detailed study of the electronic and vibrational properties of the prototypic 1:1 mixture of discotic 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6) and 2,4,7-trinitro-9-fluorenone (TNF). It is shown that intermolecular charge transfer occurs in the ground state of the complex: a charge delocalization of about 10{sup −2} electron from the HAT6 core to TNF is deduced from both Raman and our previous NMR measurements [L. A. Haverkate, M. Zbiri, M. R. Johnson, B. Deme, H. J. M. de Groot, F. Lefeber, A. Kotlewski, S. J. Picken, F. M. Mulder, and G. J. Kearley, J. Phys. Chem. B 116, 13098 (2012)], implying the presence of permanent dipoles at the donor-acceptor interface. A combined analysis of density functional theory calculations, resonant Raman and UV-VIS absorption measurements indicate that fast relaxation occurs in the UV region due to intramolecular vibronic coupling of HAT6 quinoidal modes with lower lying electronic states. Relatively slower relaxation in the visible region the excited CT-band of the complex is also indicated, which likely involves motions of the TNF nitro groups. The fast quinoidal relaxation process in the hot UV band of HAT6 relates to pseudo-Jahn-Teller interactions in a single benzene unit, suggesting that the underlying vibronic coupling mechanism can be generic for polyaromatic hydrocarbons. Both the presence of ground state CT dipoles and relatively slow relaxation processes in the excited CT band can be relevant concerning the design of DLC based organic PV systems.

  9. Simulating quantum search algorithm using vibronic states of I2 manipulated by optimally designed gate pulses

    International Nuclear Information System (INIS)

    Ohtsuki, Yukiyoshi

    2010-01-01

    In this paper, molecular quantum computation is numerically studied with the quantum search algorithm (Grover's algorithm) by means of optimal control simulation. Qubits are implemented in the vibronic states of I 2 , while gate operations are realized by optimally designed laser pulses. The methodological aspects of the simulation are discussed in detail. We show that the algorithm for solving a gate pulse-design problem has the same mathematical form as a state-to-state control problem in the density matrix formalism, which provides monotonically convergent algorithms as an alternative to the Krotov method. The sequential irradiation of separately designed gate pulses leads to the population distribution predicted by Grover's algorithm. The computational accuracy is reduced by the imperfect quality of the pulse design and by the electronic decoherence processes that are modeled by the non-Markovian master equation. However, as long as we focus on the population distribution of the vibronic qubits, we can search a target state with high probability without introducing error-correction processes during the computation. A generalized gate pulse-design scheme to explicitly include decoherence effects is outlined, in which we propose a new objective functional together with its solution algorithm that guarantees monotonic convergence.

  10. Vibronic intensities for Er{sup 3+} in Cs{sub 2} NaErCl{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Acevedo, R.; Navarro, G. [Departamento de Quimica Basica, Facultad de Ciencias Fisicas y Matematicas, Universidad de Chile, Beauchef 850, Casilla 2777, Santiago (Chile); Meruane, T. [Universidad Metropolitana de Ciencias y Educacion, Av. Jose Pedro Alessandri 774, Casilla 147-C Santiago (Chile)

    2001-07-01

    In this current study, we have undertaken vibronic intensity calculations for the absorptions (({sup 4}I{sub 15/2}) {gamma}{sub k}) {yields} (({sup 4}I{sub 13/2}) {gamma}{sub l}) of the Er{sup 3+} in the Cs{sub 2}NaErCl{sub 6} elpasolite type system. This system is extremely complicated to handle from both a theoretical and an experimental viewpoints. This theoretical work shows that over an energy range of about 400 cm{sup -1}, a substantial amount of transitions are likely to take place (about 100 transitions; twenty five of them are magnetic dipole allowed and seventy five are vibronically allowed). It is then a formidable task to identify and assign all of these transitions in a non-ambiguous way. Also the experimental evidence available for these absorptions is related to a total of about twenty lines in the luminescence spectrum of this system. The spectrum itself is very challenging and the superposition of spectral features is most likely to occur. A careful analysis of the calculated vibronic intensities and overall oscillator strengths for the various transitions indicates that the current model used is both flexible and appropriate to deal with this kind of systems. In a forthcoming paper, we will examine the rather unusual high intensity associated with the (({sup 4}I{sub 15/2}) {gamma}{sub k}) {yields} (({sup 4}S{sub 3/2}) {gamma}{sub l}) excitations. (Author)

  11. Parallelization of the Coupled Earthquake Model

    Science.gov (United States)

    Block, Gary; Li, P. Peggy; Song, Yuhe T.

    2007-01-01

    This Web-based tsunami simulation system allows users to remotely run a model on JPL s supercomputers for a given undersea earthquake. At the time of this reporting, predicting tsunamis on the Internet has never happened before. This new code directly couples the earthquake model and the ocean model on parallel computers and improves simulation speed. Seismometers can only detect information from earthquakes; they cannot detect whether or not a tsunami may occur as a result of the earthquake. When earthquake-tsunami models are coupled with the improved computational speed of modern, high-performance computers and constrained by remotely sensed data, they are able to provide early warnings for those coastal regions at risk. The software is capable of testing NASA s satellite observations of tsunamis. It has been successfully tested for several historical tsunamis, has passed all alpha and beta testing, and is well documented for users.

  12. Coupled intertwiner dynamics: A toy model for coupling matter to spin foam models

    Science.gov (United States)

    Steinhaus, Sebastian

    2015-09-01

    The universal coupling of matter and gravity is one of the most important features of general relativity. In quantum gravity, in particular spin foams, matter couplings have been defined in the past, yet the mutual dynamics, in particular if matter and gravity are strongly coupled, are hardly explored, which is related to the definition of both matter and gravitational degrees of freedom on the discretization. However, extracting these mutual dynamics is crucial in testing the viability of the spin foam approach and also establishing connections to other discrete approaches such as lattice gauge theories. Therefore, we introduce a simple two-dimensional toy model for Yang-Mills coupled to spin foams, namely an Ising model coupled to so-called intertwiner models defined for SU (2 )k. The two systems are coupled by choosing the Ising coupling constant to depend on spin labels of the background, as these are interpreted as the edge lengths of the discretization. We coarse grain this toy model via tensor network renormalization and uncover an interesting dynamics: the Ising phase transition temperature turns out to be sensitive to the background configurations and conversely, the Ising model can induce phase transitions in the background. Moreover, we observe a strong coupling of both systems if close to both phase transitions.

  13. Analytical model of internally coupled ears

    DEFF Research Database (Denmark)

    Vossen, Christine; Christensen-Dalsgaard, Jakob; Leo van Hemmen, J

    2010-01-01

    Lizards and many birds possess a specialized hearing mechanism: internally coupled ears where the tympanic membranes connect through a large mouth cavity so that the vibrations of the tympanic membranes influence each other. This coupling enhances the phase differences and creates amplitude...... additionally provides the opportunity to incorporate the effect of the asymmetrically attached columella, which leads to the activation of higher membrane vibration modes. Incorporating this effect, the analytical model can explain measurements taken from the tympanic membrane of a living lizard, for example...

  14. Coupled atmosphere-wildland fire modelling

    Directory of Open Access Journals (Sweden)

    Jacques Henri Balbi

    2009-10-01

    Full Text Available Simulating the interaction between fire and atmosphere is critical to the estimation of the rate of spread of the fire. Wildfire’s convection (i.e., entire plume can modify the local meteorology throughout the atmospheric boundary layer and consequently affect the fire propagation speed and behaviour. In this study, we use for the first time the Méso-NH meso-scale numerical model coupled to the point functional ForeFire simplified physical front-tracking wildfire model to investigate the differences introduced by the atmospheric feedback in propagation speed and behaviour. Both numerical models have been developed as research tools for operational models and are currently used to forecast localized extreme events. These models have been selected because they can be run coupled and support decisions in wildfire management in France and Europe. The main originalities of this combination reside in the fact that Méso-NH is run in a Large Eddy Simulation (LES configuration and that the rate of spread model used in ForeFire provides a physical formulation to take into account the effect of wind and slope. Simulations of typical experimental configurations show that the numerical atmospheric model is able to reproduce plausible convective effects of the heat produced by the fire. Numerical results are comparable to estimated values for fire-induced winds and present behaviour similar to other existing numerical approaches.

  15. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1986-01-01

    This report considers mass transport in the far-field of a radioactive waste repository, and detailed geochemical modelling of the ground-water in the near-field. A parallel approach to this problem of coupling transport and geochemical codes is the subject of another CEC report (ref. EUR 10226). Both studies were carried out in the framework of the CEC project MIRAGE. (Migration of radionuclides in the geosphere)

  16. Model coupler for coupling of atmospheric, oceanic, and terrestrial models

    International Nuclear Information System (INIS)

    Nagai, Haruyasu; Kobayashi, Takuya; Tsuduki, Katsunori; Kim, Keyong-Ok

    2007-02-01

    A numerical simulation system SPEEDI-MP, which is applicable for various environmental studies, consists of dynamical models and material transport models for the atmospheric, terrestrial, and oceanic environments, meteorological and geographical databases for model inputs, and system utilities for file management, visualization, analysis, etc., using graphical user interfaces (GUIs). As a numerical simulation tool, a model coupling program (model coupler) has been developed. It controls parallel calculations of several models and data exchanges among them to realize the dynamical coupling of the models. It is applicable for any models with three-dimensional structured grid system, which is used by most environmental and hydrodynamic models. A coupled model system for water circulation has been constructed with atmosphere, ocean, wave, hydrology, and land-surface models using the model coupler. Performance tests of the coupled model system for water circulation were also carried out for the flood event at Saudi Arabia in January 2005 and the storm surge case by the hurricane KATRINA in August 2005. (author)

  17. Indian Ocean experiments with a coupled model

    Energy Technology Data Exchange (ETDEWEB)

    Wainer, I. [Sao Paulo, Univ. (Brazil). Dept. of Oceanography

    1997-03-01

    A coupled ocean-atmosphere model is used to investigate the equatorial Indian Ocean response to the seasonally varying monsoon winds. Special attention is given to the oceanic response to the spatial distribution and changes in direction of the zonal winds. The Indian Ocean is surrounded by an Asian land mass to the North and an African land mass to the West. The model extends latitudinally between 41 N and 41 S. The asymmetric atmospheric model is driven by a mass source/sink term that is proportional to the sea surface temperature (SST) over the oceans and the heat balance over the land. The ocean is modeled using the Anderson and McCreary reduced-gravity transport model that includes a prognostic equation for the SST. The coupled system is driven by the annual cycle as manifested by zonally symmetric and asymmetric land and ocean heating. They explored the different nature of the equatorial ocean response to various patterns of zonal wind stress forcing in order to isolate the impact of the remote response on the Somali current. The major conclusions are : i) the equatorial response is fundamentally different for easterlies and westerlies, ii) the impact of the remote forcing on the Somali current is a function of the annual cycle, iii) the size of the basin sets the phase of the interference of the remote forcing on the Somali current relative to the local forcing.

  18. Resolving molecular vibronic structure using high-sensitivity two-dimensional electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bizimana, Laurie A.; Brazard, Johanna; Carbery, William P.; Gellen, Tobias; Turner, Daniel B., E-mail: dturner@nyu.edu [Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003 (United States)

    2015-10-28

    Coherent multidimensional optical spectroscopy is an emerging technique for resolving structure and ultrafast dynamics of molecules, proteins, semiconductors, and other materials. A current challenge is the quality of kinetics that are examined as a function of waiting time. Inspired by noise-suppression methods of transient absorption, here we incorporate shot-by-shot acquisitions and balanced detection into coherent multidimensional optical spectroscopy. We demonstrate that implementing noise-suppression methods in two-dimensional electronic spectroscopy not only improves the quality of features in individual spectra but also increases the sensitivity to ultrafast time-dependent changes in the spectral features. Measurements on cresyl violet perchlorate are consistent with the vibronic pattern predicted by theoretical models of a highly displaced harmonic oscillator. The noise-suppression methods should benefit research into coherent electronic dynamics, and they can be adapted to multidimensional spectroscopies across the infrared and ultraviolet frequency ranges.

  19. Mixed-Valence Molecular Unit for Quantum Cellular Automata: Beyond the Born-Oppenheimer Paradigm through the Symmetry-Assisted Vibronic Approach.

    Science.gov (United States)

    Clemente-Juan, Juan Modesto; Palii, Andrew; Coronado, Eugenio; Tsukerblat, Boris

    2016-08-09

    In this article, we focus on the electron-vibrational problem of the tetrameric mixed-valence (MV) complexes proposed for implementation as four-dot molecular quantum cellular automata (mQCA).1 Although the adiabatic approximation explored in ref 2 is an appropriate tool for the qualitative analysis of the basic characteristics of mQCA, like vibronic trapping of the electrons encoding binary information and cell-cell response, it loses its accuracy providing moderate vibronic coupling and fails in the description of the discrete pattern of the vibronic levels. Therefore, a precise solution of the quantum-mechanical vibronic problem is of primary importance for the evaluation of the shapes of the electron transfer optical absorption bands and quantitative analysis of the main parameters of tetrameric quantum cells. Here, we go beyond the Born-Oppenheimer paradigm and present a solution of the quantum-mechanical pseudo Jahn-Teller (JT) vibronic problem in bielectronic MV species (exemplified by the tetra-ruthenium complexes) based on the recently developed symmetry-assisted approach.3,4 The mathematical approach to the vibronic eigenproblem takes into consideration the point symmetry basis, and therefore, the total matrix of the JT Hamiltonian is blocked to the maximum extent. The submatrices correspond to the irreducible representations (irreps) of the point group. With this tool, we also extend the theory of the mQCA cell beyond the limit of prevailing Coulomb repulsion in the electronic pair (adopted in ref 2), and therefore, the general pseudo-JT problems for spin-singlet ((1)B1g, 2(1)A1g, (1)B2g, (1)Eu) ⊗ (b1g + eu) and spin-triplet states ((3)A2g, (3)B1g, 2(3)Eu) ⊗ (b1g + eu) in a square-planar bielectronic system are solved. The obtained symmetry-adapted electron-vibrational functions are employed for the calculation of the profiles (shape functions) of the charge transfer absorption bands in the tetrameric MV complexes and for the discussion of the

  20. Fluctuations in a coupled population model

    International Nuclear Information System (INIS)

    Jakeman, E; Hopcraft, K I; Matthews, J O

    2005-01-01

    We investigate a discrete Markov process in which the immigration of individuals into one population is controlled by the fluctuations in another. We examine the effect of coupling back the second population to the first through a similar mechanism and derive exact solutions for the generating functions of the population statistics. We show that a stationary state exists over a certain parameter range and obtain expressions for moments and correlation functions in this regime. When more than two populations are coupled, cyclically transient oscillations and periodic behaviour of correlation functions are predicted. We demonstrate that if the initial distribution of either population is stable, or more generally has a power-law tail that falls off like N -(1+α) (0 < α < 1), then for certain parameter values there exists a stationary state that is also power law but not stable. This stationary state cannot be accessed from a single multiple immigrant population model, but arises solely from the nonlinear interaction of the coupled system

  1. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1985-01-01

    This contract stipulated separate pieces of work to consider mass transport in the far-field of a repository, and more detailed geochemical modelling of the groundwater in the near-field. It was envisaged that the far-field problem would be tackled by numerical solutions to the classical advection-diffusion equation obtained by the finite element method. For the near-field problem the feasibility of coupling existing geochemical equilibrium codes to the three dimensional groundwater flow codes was to be investigated. This report is divided into two sections with one part devoted to each aspect of this contract. (author)

  2. 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

  3. Evolution model with a cumulative feedback coupling

    Science.gov (United States)

    Trimper, Steffen; Zabrocki, Knud; Schulz, Michael

    2002-05-01

    The paper is concerned with a toy model that generalizes the standard Lotka-Volterra equation for a certain population by introducing a competition between instantaneous and accumulative, history-dependent nonlinear feedback the origin of which could be a contribution from any kind of mismanagement in the past. The results depend on the sign of that additional cumulative loss or gain term of strength λ. In case of a positive coupling the system offers a maximum gain achieved after a finite time but the population will die out in the long time limit. In this case the instantaneous loss term of strength u is irrelevant and the model exhibits an exact solution. In the opposite case λ<0 the time evolution of the system is terminated in a crash after ts provided u=0. This singularity after a finite time can be avoided if u≠0. The approach may well be of relevance for the qualitative understanding of more realistic descriptions.

  4. On coupling global biome models with climate models

    OpenAIRE

    Claussen, M.

    1994-01-01

    The BIOME model of Prentice et al. (1992; J. Biogeogr. 19: 117-134), which predicts global vegetation patterns in equilibrium with climate, was coupled with the ECHAM climate model of the Max-Planck-Institut fiir Meteorologie, Hamburg, Germany. It was found that incorporation of the BIOME model into ECHAM, regardless at which frequency, does not enhance the simulated climate variability, expressed in terms of differences between global vegetation patterns. Strongest changes are seen only betw...

  5. 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.

  6. A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

    Science.gov (United States)

    2016-02-29

    development a tightly coupled magneto-hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...Inductively Coupled Plasma (ICP) torches have wide range of possible applications which include deposition of metal coatings, synthesis of ultra-fine powders

  7. Vibronic spectra of Gd3+ in metaphosphate glasses: Comparison with Raman and infrared spectra

    International Nuclear Information System (INIS)

    Hall, D.W.; Brawer, S.A.; Weber, M.J.

    1982-01-01

    Vibronic sidebands associated with the 6 P/sub 7/2/→ 8 S/sub 7/2/ transition of Gd 3+ -doped metaphosphate glasses are observed using line-narrowed fluorescence techniques. Glasses having metal cations of different mass and charge (La,Al,Mg,Ba) are examined. Vibronic spectra, which probe vibrations about the rare-earth element site, are compared with polarized Raman scattering data and the infrared dielectric constant obtained from near-normal reflectance measurements. Results indicate that in metaphosphate glasses vibronic selection rules are similar to HV (vertical height) Raman selection rules. The wavelengths and relative intensities of peaks in the high-frequency portion of the vibronic spectra change with respect to corresponding peaks in the Raman spectra when the mass and/or charge of Gd 3+ differs significantly from that of the metal cation

  8. Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol.

    Science.gov (United States)

    Cerezo, Javier; Aranda, Daniel; Avila Ferrer, Francisco J; Prampolini, Giacomo; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Santoro, Fabrizio

    2018-06-01

    We extend a recently proposed mixed quantum/classical method for computing the vibronic electronic circular dichroism (ECD) spectrum of molecules with different conformers, to cases where more than one hindered rotation is present. The method generalizes the standard procedure, based on the simple Boltzmann average of the vibronic spectra of the stable conformers, and includes the contribution of structures that sample all the accessible conformational space. It is applied to the simulation of the ECD spectrum of (S)-2,2,2-trifluoroanthrylethanol, a molecule with easily interconvertible conformers, whose spectrum exhibits a pattern of alternating positive and negative vibronic peaks. Results are in very good agreement with experiment and show that spectra averaged over all the sampled conformational space can deviate significantly from the simple average of the contributions of the stable conformers. The present mixed quantum/classical method is able to capture the effect of the nonlinear dependence of the rotatory strength on the molecular structure and of the anharmonic couplings among the modes responsible for molecular flexibility. Despite its computational cost, the procedure is still affordable and promises to be useful in all cases where the ECD shape arises from a subtle balance between vibronic effects and conformational variety. © 2018 Wiley Periodicals, Inc.

  9. Coupling population dynamics with earth system models: the POPEM model.

    Science.gov (United States)

    Navarro, Andrés; Moreno, Raúl; Jiménez-Alcázar, Alfonso; Tapiador, Francisco J

    2017-09-16

    Precise modeling of CO 2 emissions is important for environmental research. This paper presents a new model of human population dynamics that can be embedded into ESMs (Earth System Models) to improve climate modeling. Through a system dynamics approach, we develop a cohort-component model that successfully simulates historical population dynamics with fine spatial resolution (about 1°×1°). The population projections are used to improve the estimates of CO 2 emissions, thus transcending the bulk approach of existing models and allowing more realistic non-linear effects to feature in the simulations. The module, dubbed POPEM (from Population Parameterization for Earth Models), is compared with current emission inventories and validated against UN aggregated data. Finally, it is shown that the module can be used to advance toward fully coupling the social and natural components of the Earth system, an emerging research path for environmental science and pollution research.

  10. 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)

  11. Interdecadal variability in a global coupled model

    International Nuclear Information System (INIS)

    Storch, J.S. von.

    1994-01-01

    Interdecadal variations are studied in a 325-year simulation performed by a coupled atmosphere - ocean general circulation model. The patterns obtained in this study may be considered as characteristic patterns for interdecadal variations. 1. The atmosphere: Interdecadal variations have no preferred time scales, but reveal well-organized spatial structures. They appear as two modes, one is related with variations of the tropical easterlies and the other with the Southern Hemisphere westerlies. Both have red spectra. The amplitude of the associated wind anomalies is largest in the upper troposphere. The associated temperature anomalies are in thermal-wind balance with the zonal winds and are out-of-phase between the troposphere and the lower stratosphere. 2. The Pacific Ocean: The dominant mode in the Pacific appears to be wind-driven in the midlatitudes and is related to air-sea interaction processes during one stage of the oscillation in the tropics. Anomalies of this mode propagate westward in the tropics and the northward (southwestward) in the North (South) Pacific on a time scale of about 10 to 20 years. (orig.)

  12. Ab initio study of vibronic transitions between x2π and 12Σ+ electronic states of HCP+ ion

    Directory of Open Access Journals (Sweden)

    Stojanović Ljiljana

    2013-01-01

    Full Text Available The ground and low-lying excited doublet electronic states of the HCP+ ion were studied by means of multireference configuration interaction method. Vibronic energy levels of the X2Π state of Σ, Π, Δ, and Φ symmetry, up to the 2500 cm-1, have been calculated variationally, employing previously developed ab initio methods which take into account vibronic and spin-orbit interactions. Obtained vibronic wave functions were used to estimate transition moments between vibronic energy levels of the X2Π and 12Σ+ electronic states. Results were compared to available experimental and theoretical data. [Projekat Ministarstva nauke Republike Srbije, br. 172040

  13. E x circle epsilon Jahn-Teller anharmonic coupling for an octahedral system

    CERN Document Server

    Avram, N M; Kibler, M R

    2001-01-01

    The coupling between doubly degenerate electronic states and doubly degenerate vibrations is analyzed for an octahedral system on the basis of the introduction of an anharmonic Morse potential for the vibronic part. The vibrations are described by anharmonic coherent states and their linear coupling with the electronic states is considered. The matrix elements of the vibronic interaction are built and the energy levels corresponding to the interaction Hamiltonian are derived.

  14. Coupling Climate Models and Forward-Looking Economic Models

    Science.gov (United States)

    Judd, K.; Brock, W. A.

    2010-12-01

    Authors: Dr. Kenneth L. Judd, Hoover Institution, and Prof. William A. Brock, University of Wisconsin Current climate models range from General Circulation Models (GCM’s) with millions of degrees of freedom to models with few degrees of freedom. Simple Energy Balance Climate Models (EBCM’s) help us understand the dynamics of GCM’s. The same is true in economics with Computable General Equilibrium Models (CGE’s) where some models are infinite-dimensional multidimensional differential equations but some are simple models. Nordhaus (2007, 2010) couples a simple EBCM with a simple economic model. One- and two- dimensional ECBM’s do better at approximating damages across the globe and positive and negative feedbacks from anthroprogenic forcing (North etal. (1981), Wu and North (2007)). A proper coupling of climate and economic systems is crucial for arriving at effective policies. Brock and Xepapadeas (2010) have used Fourier/Legendre based expansions to study the shape of socially optimal carbon taxes over time at the planetary level in the face of damages caused by polar ice cap melt (as discussed by Oppenheimer, 2005) but in only a “one dimensional” EBCM. Economists have used orthogonal polynomial expansions to solve dynamic, forward-looking economic models (Judd, 1992, 1998). This presentation will couple EBCM climate models with basic forward-looking economic models, and examine the effectiveness and scaling properties of alternative solution methods. We will use a two dimensional EBCM model on the sphere (Wu and North, 2007) and a multicountry, multisector regional model of the economic system. Our aim will be to gain insights into intertemporal shape of the optimal carbon tax schedule, and its impact on global food production, as modeled by Golub and Hertel (2009). We will initially have limited computing resources and will need to focus on highly aggregated models. However, this will be more complex than existing models with forward

  15. On coupling global biome models with climate models

    International Nuclear Information System (INIS)

    Claussen, M.

    1994-01-01

    The BIOME model of Prentice et al. (1992), which predicts global vegetation patterns in equilibrium with climate, is coupled with the ECHAM climate model of the Max-Planck-Institut fuer Meteorologie, Hamburg. It is found that incorporation of the BIOME model into ECHAM, regardless at which frequency, does not enhance the simulated climate variability, expressed in terms of differences between global vegetation patterns. Strongest changes are seen only between the initial biome distribution and the biome distribution computed after the first simulation period, provided that the climate-biome model is started from a biome distribution that resembles the present-day distribution. After the first simulation period, there is no significant shrinking, expanding, or shifting of biomes. Likewise, no trend is seen in global averages of land-surface parameters and climate variables. (orig.)

  16. Fast model updating coupling Bayesian inference and PGD model reduction

    Science.gov (United States)

    Rubio, Paul-Baptiste; Louf, François; Chamoin, Ludovic

    2018-04-01

    The paper focuses on a coupled Bayesian-Proper Generalized Decomposition (PGD) approach for the real-time identification and updating of numerical models. The purpose is to use the most general case of Bayesian inference theory in order to address inverse problems and to deal with different sources of uncertainties (measurement and model errors, stochastic parameters). In order to do so with a reasonable CPU cost, the idea is to replace the direct model called for Monte-Carlo sampling by a PGD reduced model, and in some cases directly compute the probability density functions from the obtained analytical formulation. This procedure is first applied to a welding control example with the updating of a deterministic parameter. In the second application, the identification of a stochastic parameter is studied through a glued assembly example.

  17. Modeling of coupled geochemical and transport processes: An overview

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1989-10-01

    Early coupled models associated with fluid flow and solute transport have been limited by assumed conditions of constant temperature, fully saturated fluid flow, and constant pore fluid velocity. Developments including coupling of chemical reactions to variable fields of temperature and fluid flow have generated new requirements for experimental data. As the capabilities of coupled models expand, needs are created for experimental data to be used for both input and validation. 25 refs

  18. Coupled oscillators as models of phantom and scalar field cosmologies

    International Nuclear Information System (INIS)

    Faraoni, Valerio

    2004-01-01

    We study a toy model for phantom cosmology recently introduced in the literature and consisting of two oscillators, one of which carries negative kinetic energy. The results are compared with the exact phase space picture obtained for similar dynamical systems describing, respectively, a massive canonical scalar field conformally coupled to the spacetime curvature and a conformally coupled massive phantom. Finally, the dynamical system describing exactly a minimally coupled phantom is studied and compared with the toy model

  19. Modeling of Coupled Nano-Cavity Lasers

    DEFF Research Database (Denmark)

    Skovgård, Troels Suhr

    -of-states and it is argued that Purcell enhancement should also be included in stimulated recombination term, contrary to the common practice in the literature. It is shown that for quantum well devices, the Purcell enhancement is effectively independent of the cavity quality factor due to the broad electronic density......-of-states relative to the optical density-of-states. The low effective Purcell eect for quantum well devices limits the highest possible modulation bandwidth to a few tens of gigahertz, which is comparable to the performance of conventional diode lasers. Compared to quantum well devices, quantum dot devices have...... is useful for design of coupled systems. A tight-binding description for coupled nanocavity lasers is developed and employed to investigate the phase-locking behavior for the system of two coupled cavities. Phase-locking is found to be critically dependent on exact parameter values and to be dicult...

  20. Chemical event chain model of coupled genetic oscillators.

    Science.gov (United States)

    Jörg, David J; Morelli, Luis G; Jülicher, Frank

    2018-03-01

    We introduce a stochastic model of coupled genetic oscillators in which chains of chemical events involved in gene regulation and expression are represented as sequences of Poisson processes. We characterize steady states by their frequency, their quality factor, and their synchrony by the oscillator cross correlation. The steady state is determined by coupling and exhibits stochastic transitions between different modes. The interplay of stochasticity and nonlinearity leads to isolated regions in parameter space in which the coupled system works best as a biological pacemaker. Key features of the stochastic oscillations can be captured by an effective model for phase oscillators that are coupled by signals with distributed delays.

  1. Chemical event chain model of coupled genetic oscillators

    Science.gov (United States)

    Jörg, David J.; Morelli, Luis G.; Jülicher, Frank

    2018-03-01

    We introduce a stochastic model of coupled genetic oscillators in which chains of chemical events involved in gene regulation and expression are represented as sequences of Poisson processes. We characterize steady states by their frequency, their quality factor, and their synchrony by the oscillator cross correlation. The steady state is determined by coupling and exhibits stochastic transitions between different modes. The interplay of stochasticity and nonlinearity leads to isolated regions in parameter space in which the coupled system works best as a biological pacemaker. Key features of the stochastic oscillations can be captured by an effective model for phase oscillators that are coupled by signals with distributed delays.

  2. Tinamit: Making coupled system dynamics models accessible to stakeholders

    Science.gov (United States)

    Malard, Julien; Inam Baig, Azhar; Rojas Díaz, Marcela; Hassanzadeh, Elmira; Adamowski, Jan; Tuy, Héctor; Melgar-Quiñonez, Hugo

    2017-04-01

    Model coupling is increasingly used as a method of combining the best of two models when representing socio-environmental systems, though barriers to successful model adoption by stakeholders are particularly present with the use of coupled models, due to their high complexity and typically low implementation flexibility. Coupled system dynamics - physically-based modelling is a promising method to improve stakeholder participation in environmental modelling while retaining a high level of complexity for physical process representation, as the system dynamics components are readily understandable and can be built by stakeholders themselves. However, this method is not without limitations in practice, including 1) inflexible and complicated coupling methods, 2) difficult model maintenance after the end of the project, and 3) a wide variety of end-user cultures and languages. We have developed the open-source Python-language software tool Tinamit to overcome some of these limitations to the adoption of stakeholder-based coupled system dynamics - physically-based modelling. The software is unique in 1) its inclusion of both a graphical user interface (GUI) and a library of available commands (API) that allow users with little or no coding abilities to rapidly, effectively, and flexibly couple models, 2) its multilingual support for the GUI, allowing users to couple models in their preferred language (and to add new languages as necessary for their community work), and 3) its modular structure allowing for very easy model coupling and modification without the direct use of code, and to which programming-savvy users can easily add support for new types of physically-based models. We discuss how the use of Tinamit for model coupling can greatly increase the accessibility of coupled models to stakeholders, using an example of a stakeholder-built system dynamics model of soil salinity issues in Pakistan coupled with the physically-based soil salinity and water flow model

  3. Observation of vibronic emission spectrum of jet-cooled 3,5-difluorobenzyl radical.

    Science.gov (United States)

    Lee, Seung Woon; Yoon, Young Wook; Lee, Sang Kuk

    2010-09-02

    We applied the technique of corona-excited supersonic expansion using a pinhole-type glass nozzle to observe the vibronic emission spectrum of jet-cooled benzyl-type radicals from the corona discharge of precursor 3,5-difluorotoluene seeded in a large amount of inert helium carrier gas. The vibronically well-resolved emission spectrum was recorded with a long-path monochromator in the visible region. After subtracting the vibronic bands originating from isomeric difluorobenzyl radicals from the observed spectrum, we identified for the first time the bands belonging to the 3,5-difluorobenzyl radical, from which the electronic energy and vibrational mode frequencies of the 3,5-difluorobenzyl radical were accurately determined in the ground electronic state by comparison with those of the precursor and with those from an ab initio calculation.

  4. Vibron Solitons and Soliton-Induced Infrared Spectra of Crystalline Acetanilide

    Science.gov (United States)

    Takeno, S.

    1986-01-01

    Red-shifted infrared spectra at low temperatures of amide I (C=O stretching) vibrations of crystalline acetanilide measured by Careri et al. are shown to be due to vibron solitons, which are nonlinearity-induced localized modes of vibrons arising from their nonlinear interactions with optic-type phonons. A nonlinear eigenvalue equation giving the eigenfrequency of stationary solitons is solved approximately by introducing lattice Green's functions, and the obtained result is in good agreement with the experimental result. Inclusion of interactions with acoustic phonons yields the Debye-Waller factor in the zero-phonon line spectrum of vibron solitons, in a manner analogous to the case of impurity-induced localized harmonic phonon modes in alkali halides.

  5. Ultrafast vibronic dynamics of dye molecules studied by the induced grating method

    International Nuclear Information System (INIS)

    Liu, C.H.; Troeger, P.; Laubereau, A.

    1985-08-01

    Previous work on transient polarization spectroscopy applying the induced grating technique concentrated on the time scale > 10 -11 s. Only one earlier study on a shorter time scale showed the occurrence of the so-called coherence peak without a detailed explanation for this phenomena. We report new theoretical and experimental data on a polarization effect that occurs in the nonlinear Rayleigh scattering of delayed probing pulses from induced population gratings. The periodic population changes are generated by two synchronized pumping pulses of the same frequency. Model calculations are presented, which carefully evaluate the orientational distribution and give quantitative information on the scattering signal for various polarization conditions. The scattering mechanism for the coherence peak is explained as a two step process with one photon absorption and emission process; it depends on the vibronic relaxation of the terminating level in the excited electronic state. Experimental results are reported for the vibrational and orientational relaxation times. For example values of tausub(v)=0.2+-0.2 ps and tausub(v)=0.8+-0.3 ps are measured respectively for Rhodamine 6G in ethanol and phenoxazone 9 in dioxane. Our three-beam transient grating technique under general polarization conditions can be used for the study of a variety of dynamic processes of molecules in the excited electronic or ground state. An important advantage compared to nonlinear absorption or induced dichroism techniques is that the scattering method avoids undesirable background signals. (author)

  6. RELAP5/MOD3 code coupling model

    International Nuclear Information System (INIS)

    Martin, R.P.; Johnsen, G.W.

    1994-01-01

    A new capability has been incorporated into RELAP5/MOD3 that enables the coupling of RELAP5/MOD3 to other computer codes. The new capability has been designed to support analysis of the new advanced reactor concepts. Its user features rely solely on new RELAP5 open-quotes styledclose quotes input and the Parallel Virtual Machine (PVM) software, which facilitates process management and distributed communication of multiprocess problems. RELAP5/MOD3 manages the input processing, communication instruction, process synchronization, and its own send and receive data processing. The flexible capability requires that an explicit coupling be established, which updates boundary conditions at discrete time intervals. Two test cases are presented that demonstrate the functionality, applicability, and issues involving use of this capability

  7. Coupled channels in the different models

    International Nuclear Information System (INIS)

    Badalyan, A.M.; Polikarpov, M.I.; Simonov, Yu.A.

    1980-01-01

    Description of the multichannel phenomena due to channel coupling is considered. The different methods: the relativistic Logunov-Tavkhelidze-Blankenbecler-Sugar equations, the Schroedinger equation with the separable potentials and the many-channel N-D method are discussed. The particular emphasis is made on the dependence of pole trajectories and cross sections on the parameters of the coupled channel (CC) pole interaction. In detail the properties of the N anti N interaction with annihilation are taken into account. Elastic, charge exchange and annihilation cross sections are calculated in the 0-100 MeV energy range. The peaks in all cross sections at the threshold are due to the CC poles in the L=0 waves. The position of the 16 poles in different states for the case of no CC interaction and the standard CC interaction is presented

  8. Unification of gauge couplings in radiative neutrino mass models

    DEFF Research Database (Denmark)

    Hagedorn, Claudia; Ohlsson, Tommy; Riad, Stella

    2016-01-01

    masses at one-loop level and (III) models with particles in the adjoint representation of SU(3). In class (I), gauge couplings unify in a few models and adding dark matter amplifies the chances for unification. In class (II), about a quarter of the models admits gauge coupling unification. In class (III......We investigate the possibility of gauge coupling unification in various radiative neutrino mass models, which generate neutrino masses at one- and/or two-loop level. Renormalization group running of gauge couplings is performed analytically and numerically at one- and two-loop order, respectively....... We study three representative classes of radiative neutrino mass models: (I) minimal ultraviolet completions of the dimension-7 ΔL = 2 operators which generate neutrino masses at one- and/or two-loop level without and with dark matter candidates, (II) models with dark matter which lead to neutrino...

  9. Effect of molecular weight on the vibronic structure of a diketopyrrolopyrrole polymer

    KAUST Repository

    Hayes, Sophia C.

    2016-09-27

    Resonance Raman Spectroscopy (RRS) is employed in this study to examine the influence of molecular weight on the optical response of a diketopyrrolopyrrole polymer (DPP-TT-T) in solution. The vibronic structure observed for the ground state absorption of this polymer is found to vary with molecular weight and solvent. Resonance Raman Intensity Analysis (RRIA) revealed that the absorption spectra can be described by at least two dipole-allowed transitions and the vibronic structure variation is due to differing contributions from linear and curved segments of the polymer.

  10. Effect of molecular weight on the vibronic structure of a diketopyrrolopyrrole polymer

    KAUST Repository

    Hayes, Sophia C.; Pieridou, Galatia; Vezie, Michelle; Few, Sheridan; Bronstein, Hugo; Meager, Iain; McCulloch, Iain; Nelson, Jenny

    2016-01-01

    Resonance Raman Spectroscopy (RRS) is employed in this study to examine the influence of molecular weight on the optical response of a diketopyrrolopyrrole polymer (DPP-TT-T) in solution. The vibronic structure observed for the ground state absorption of this polymer is found to vary with molecular weight and solvent. Resonance Raman Intensity Analysis (RRIA) revealed that the absorption spectra can be described by at least two dipole-allowed transitions and the vibronic structure variation is due to differing contributions from linear and curved segments of the polymer.

  11. Analysis of vibronic interactions in the molecules of cross-conjugated ketones

    Directory of Open Access Journals (Sweden)

    Kompaneez V.V.

    2017-01-01

    Full Text Available We have done quantitative analysis of vibronic parameters of two cross-conjugated δ-dimethylaminoketones. The research shows the influence of С-N and C=O bonds in the rings, and the radicals with nitro compounds on the vibronic parameters of characteristic bands, which describe the state (vibrations, types of deformation under excitation of the phenyl ring and the polyene bridge. Results described impact of the substituent’s nature on the parameters of intra- and intermolecular interactions presents for the studied compounds.

  12. Radiative corrections to the Higgs couplings in the triplet model

    International Nuclear Information System (INIS)

    KIKUCHI, M.

    2014-01-01

    The feature of extended Higgs models can appear in the pattern of deviations from the Standard Model (SM) predictions in coupling constants of the SM-like Higgs boson (h). We can thus discriminate extended Higgs models by precisely measuring the pattern of deviations in the coupling constants of h, even when extra bosons are not found directly. In order to compare the theoretical predictions to the future precision data at the ILC, we must evaluate the theoretical predictions with radiative corrections in various extended Higgs models. In this paper, we give our comprehensive study for radiative corrections to various Higgs boson couplings of h in the minimal Higgs triplet model (HTM). First, we define renormalization conditions in the model, and we calculate the Higgs coupling; gγγ, hWW, hZZ and hhh at the one loop level. We then evaluate deviations in coupling constants of the SM-like Higgs boson from the predictions in the SM. We find that one-loop contributions to these couplings are substantial as compared to their expected measurement accuracies at the ILC. Therefore the HTM has a possibility to be distinguished from the other models by comparing the pattern of deviations in the Higgs boson couplings.

  13. Coupling of the Models of Human Physiology and Thermal Comfort

    Science.gov (United States)

    Pokorny, J.; Jicha, M.

    2013-04-01

    A coupled model of human physiology and thermal comfort was developed in Dymola/Modelica. A coupling combines a modified Tanabe model of human physiology and thermal comfort model developed by Zhang. The Coupled model allows predicting the thermal sensation and comfort of both local and overall from local boundary conditions representing ambient and personal factors. The aim of this study was to compare prediction of the Coupled model with the Fiala model prediction and experimental data. Validation data were taken from the literature, mainly from the validation manual of software Theseus-FE [1]. In the paper validation of the model for very light physical activities (1 met) indoor environment with temperatures from 12 °C up to 48 °C is presented. The Coupled model predicts mean skin temperature for cold, neutral and warm environment well. However prediction of core temperature in cold environment is inaccurate and very affected by ambient temperature. Evaluation of thermal comfort in warm environment is supplemented by skin wettedness prediction. The Coupled model is designed for non-uniform and transient environmental conditions; it is also suitable simulation of thermal comfort in vehicles cabins. The usage of the model is limited for very light physical activities up to 1.2 met only.

  14. Coupling of the Models of Human Physiology and Thermal Comfort

    Directory of Open Access Journals (Sweden)

    Jicha M.

    2013-04-01

    Full Text Available A coupled model of human physiology and thermal comfort was developed in Dymola/Modelica. A coupling combines a modified Tanabe model of human physiology and thermal comfort model developed by Zhang. The Coupled model allows predicting the thermal sensation and comfort of both local and overall from local boundary conditions representing ambient and personal factors. The aim of this study was to compare prediction of the Coupled model with the Fiala model prediction and experimental data. Validation data were taken from the literature, mainly from the validation manual of software Theseus–FE [1]. In the paper validation of the model for very light physical activities (1 met indoor environment with temperatures from 12 °C up to 48 °C is presented. The Coupled model predicts mean skin temperature for cold, neutral and warm environment well. However prediction of core temperature in cold environment is inaccurate and very affected by ambient temperature. Evaluation of thermal comfort in warm environment is supplemented by skin wettedness prediction. The Coupled model is designed for non-uniform and transient environmental conditions; it is also suitable simulation of thermal comfort in vehicles cabins. The usage of the model is limited for very light physical activities up to 1.2 met only.

  15. The coupling of Poisson sigma models to topological backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Rosa, Dario [School of Physics, Korea Institute for Advanced Study,Seoul 02455 (Korea, Republic of)

    2016-12-13

    We extend the coupling to the topological backgrounds, recently worked out for the 2-dimensional BF-model, to the most general Poisson sigma models. The coupling involves the choice of a Casimir function on the target manifold and modifies the BRST transformations. This in turn induces a change in the BRST cohomology of the resulting theory. The observables of the coupled theory are analyzed and their geometrical interpretation is given. We finally couple the theory to 2-dimensional topological gravity: this is the first step to study a topological string theory in propagation on a Poisson manifold. As an application, we show that the gauge-fixed vectorial supersymmetry of the Poisson sigma models has a natural explanation in terms of the theory coupled to topological gravity.

  16. Aspects of the derivative coupling model in four dimensions

    International Nuclear Information System (INIS)

    Aste, Andreas

    2014-01-01

    A concise discussion of a 3 + 1-dimensional derivative coupling model, in which a massive Dirac field couples to the four-gradient of a massless scalar field, is given in order to elucidate the role of different concepts in quantum field theory like the regularization of quantum fields as operator-valued distributions, correlation distributions, locality, causality, and field operator gauge transformations. (orig.)

  17. Aspects of the derivative coupling model in four dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Aste, Andreas [University of Basel, Department of Physics, Basel (Switzerland); Paul Scherrer Institute, Villigen (Switzerland)

    2014-01-15

    A concise discussion of a 3 + 1-dimensional derivative coupling model, in which a massive Dirac field couples to the four-gradient of a massless scalar field, is given in order to elucidate the role of different concepts in quantum field theory like the regularization of quantum fields as operator-valued distributions, correlation distributions, locality, causality, and field operator gauge transformations. (orig.)

  18. Plasma edge modelling with ICRF coupling

    Directory of Open Access Journals (Sweden)

    Zhang Wei

    2017-01-01

    Full Text Available The physics of Radio-Frequency (RF wave heating in the Ion Cyclotron Range of Frequencies (ICRF in the core plasmas of fusion devices are relatively well understood while those in the Scrape-Off Layer (SOL remain still unresolved. This paper is dedicated to study the ICRF interactions with the plasma edge, mainly from the theoretical and numerical point of view, in particular with the 3D edge plasma fluid and neutral transport code EMC3-EIRENE and various wave codes. Here emphasis is given to the improvement of ICRF coupling with local gas puffing and to the ICRF induced density convection in the SOL.

  19. Coupling a Basin Modeling and a Seismic Code using MOAB

    KAUST Repository

    Yan, Mi; Jordan, Kirk; Kaushik, Dinesh; Perrone, Michael; Sachdeva, Vipin; Tautges, Timothy J.; Magerlein, John

    2012-01-01

    We report on a demonstration of loose multiphysics coupling between a basin modeling code and a seismic code running on a large parallel machine. Multiphysics coupling, which is one critical capability for a high performance computing (HPC) framework, was implemented using the MOAB open-source mesh and field database. MOAB provides for code coupling by storing mesh data and input and output field data for the coupled analysis codes and interpolating the field values between different meshes used by the coupled codes. We found it straightforward to use MOAB to couple the PBSM basin modeling code and the FWI3D seismic code on an IBM Blue Gene/P system. We describe how the coupling was implemented and present benchmarking results for up to 8 racks of Blue Gene/P with 8192 nodes and MPI processes. The coupling code is fast compared to the analysis codes and it scales well up to at least 8192 nodes, indicating that a mesh and field database is an efficient way to implement loose multiphysics coupling for large parallel machines.

  20. Coupling a Basin Modeling and a Seismic Code using MOAB

    KAUST Repository

    Yan, Mi

    2012-06-02

    We report on a demonstration of loose multiphysics coupling between a basin modeling code and a seismic code running on a large parallel machine. Multiphysics coupling, which is one critical capability for a high performance computing (HPC) framework, was implemented using the MOAB open-source mesh and field database. MOAB provides for code coupling by storing mesh data and input and output field data for the coupled analysis codes and interpolating the field values between different meshes used by the coupled codes. We found it straightforward to use MOAB to couple the PBSM basin modeling code and the FWI3D seismic code on an IBM Blue Gene/P system. We describe how the coupling was implemented and present benchmarking results for up to 8 racks of Blue Gene/P with 8192 nodes and MPI processes. The coupling code is fast compared to the analysis codes and it scales well up to at least 8192 nodes, indicating that a mesh and field database is an efficient way to implement loose multiphysics coupling for large parallel machines.

  1. The two-qubit quantum Rabi model: inhomogeneous coupling

    International Nuclear Information System (INIS)

    Mao, Lijun; Huai, Sainan; Zhang, Yunbo

    2015-01-01

    We revisit the analytic solution of the two-qubit quantum Rabi model with inhomogeneous coupling and transition frequencies using a displaced oscillator basis. This approach enables us to apply the same truncation rules and techniques adopted in the Rabi model to the two qubits system. The derived analytical spectra match perfectly with the numerical solutions in the parameter regime where the qubits’ transition frequencies are far off-resonance with the field frequency and the interaction strengths reach the ultrastrong coupling regime. We further explore the dynamical behavior of the two qubits as well as the evolution of entanglement. The analytical methods provide unexpectedly accurate results in describing the dynamics of the two qubits in the present experimentally accessible coupling regime. The time evolutions of the probability for the qubits show that the collapse-revival phenomena emerge, survive and finally disappear when one coupling strength increases from weak to strong coupling regimes and the other coupling strength is well into the ultrastrong coupling regime. The inhomogeneous coupling system exhibits new dynamics, which are different from the homogeneous coupling case. (paper)

  2. Hierarchical and coupling model of factors influencing vessel traffic flow.

    Directory of Open Access Journals (Sweden)

    Zhao Liu

    Full Text Available Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system.

  3. Hierarchical and coupling model of factors influencing vessel traffic flow.

    Science.gov (United States)

    Liu, Zhao; Liu, Jingxian; Li, Huanhuan; Li, Zongzhi; Tan, Zhirong; Liu, Ryan Wen; Liu, Yi

    2017-01-01

    Understanding the characteristics of vessel traffic flow is crucial in maintaining navigation safety, efficiency, and overall waterway transportation management. Factors influencing vessel traffic flow possess diverse features such as hierarchy, uncertainty, nonlinearity, complexity, and interdependency. To reveal the impact mechanism of the factors influencing vessel traffic flow, a hierarchical model and a coupling model are proposed in this study based on the interpretative structural modeling method. The hierarchical model explains the hierarchies and relationships of the factors using a graph. The coupling model provides a quantitative method that explores interaction effects of factors using a coupling coefficient. The coupling coefficient is obtained by determining the quantitative indicators of the factors and their weights. Thereafter, the data obtained from Port of Tianjin is used to verify the proposed coupling model. The results show that the hierarchical model of the factors influencing vessel traffic flow can explain the level, structure, and interaction effect of the factors; the coupling model is efficient in analyzing factors influencing traffic volumes. The proposed method can be used for analyzing increases in vessel traffic flow in waterway transportation system.

  4. Optical model with multiple band couplings using soft rotator structure

    Science.gov (United States)

    Martyanov, Dmitry; Soukhovitskii, Efrem; Capote, Roberto; Quesada, Jose Manuel; Chiba, Satoshi

    2017-09-01

    A new dispersive coupled-channel optical model (DCCOM) is derived that describes nucleon scattering on 238U and 232Th targets using a soft-rotator-model (SRM) description of the collective levels of the target nucleus. SRM Hamiltonian parameters are adjusted to the observed collective levels of the target nucleus. SRM nuclear wave functions (mixed in K quantum number) have been used to calculate coupling matrix elements of the generalized optical model. Five rotational bands are coupled: the ground-state band, β-, γ-, non-axial- bands, and a negative parity band. Such coupling scheme includes almost all levels below 1.2 MeV of excitation energy of targets. The "effective" deformations that define inter-band couplings are derived from SRM Hamiltonian parameters. Conservation of nuclear volume is enforced by introducing a monopolar deformed potential leading to additional couplings between rotational bands. The present DCCOM describes the total cross section differences between 238U and 232Th targets within experimental uncertainty from 50 keV up to 200 MeV of neutron incident energy. SRM couplings and volume conservation allow a precise calculation of the compound-nucleus (CN) formation cross sections, which is significantly different from the one calculated with rigid-rotor potentials with any number of coupled levels.

  5. The Cornwall-Norton model in the strong coupling regime

    International Nuclear Information System (INIS)

    Natale, A.A.

    1991-01-01

    The Cornwall-Norton model is studied in the strong coupling regime. It is shown that the fermionic self-energy at large momenta behaves as Σ(p) ∼ (m 2 /p) ln (p/m). We verify that in the strong coupling phase the dynamically generated masses of gauge and scalar bosons are of the same order, and the essential features of the model remain intact. (author)

  6. Four dimensional sigma model coupled to the metric tensor field

    International Nuclear Information System (INIS)

    Ghika, G.; Visinescu, M.

    1980-02-01

    We discuss the four dimensional nonlinear sigma model with an internal O(n) invariance coupled to the metric tensor field satisfying Einstein equations. We derive a bound on the coupling constant between the sigma field and the metric tensor using the theory of harmonic maps. A special attention is paid to Einstein spaces and some new explicit solutions of the model are constructed. (author)

  7. Seizure Dynamics of Coupled Oscillators with Epileptor Field Model

    Science.gov (United States)

    Zhang, Honghui; Xiao, Pengcheng

    The focus of this paper is to investigate the dynamics of seizure activities by using the Epileptor coupled model. Based on the coexistence of seizure-like event (SLE), refractory status epilepticus (RSE), depolarization block (DB), and normal state, we first study the dynamical behaviors of two coupled oscillators in different activity states with Epileptor model by linking them with slow permittivity coupling. Our research has found that when one oscillator in normal states is coupled with any oscillator in SLE, RSE or DB states, these two oscillators can both evolve into SLE states under appropriate coupling strength. And then these two SLE oscillators can perform epileptiform synchronization or epileptiform anti-synchronization. Meanwhile, SLE can be depressed when considering the fast electrical or chemical coupling in Epileptor model. Additionally, a two-dimensional reduced model is also given to show the effect of coupling number on seizures. Those results can help to understand the dynamical mechanism of the initiation, maintenance, propagation and termination of seizures in focal epilepsy.

  8. Nuclear Hybrid Energy System Modeling: RELAP5 Dynamic Coupling Capabilities

    Energy Technology Data Exchange (ETDEWEB)

    Piyush Sabharwall; Nolan Anderson; Haihua Zhao; Shannon Bragg-Sitton; George Mesina

    2012-09-01

    The nuclear hybrid energy systems (NHES) research team is currently developing a dynamic simulation of an integrated hybrid energy system. A detailed simulation of proposed NHES architectures will allow initial computational demonstration of a tightly coupled NHES to identify key reactor subsystem requirements, identify candidate reactor technologies for a hybrid system, and identify key challenges to operation of the coupled system. This work will provide a baseline for later coupling of design-specific reactor models through industry collaboration. The modeling capability addressed in this report focuses on the reactor subsystem simulation.

  9. Medicanes in an ocean-atmosphere coupled regional climate model

    Science.gov (United States)

    Akhtar, N.; Brauch, J.; Dobler, A.; Béranger, K.; Ahrens, B.

    2014-08-01

    So-called medicanes (Mediterranean hurricanes) are meso-scale, marine, and warm-core Mediterranean cyclones that exhibit some similarities to tropical cyclones. The strong cyclonic winds associated with medicanes threaten the highly populated coastal areas around the Mediterranean basin. To reduce the risk of casualties and overall negative impacts, it is important to improve the understanding of medicanes with the use of numerical models. In this study, we employ an atmospheric limited-area model (COSMO-CLM) coupled with a one-dimensional ocean model (1-D NEMO-MED12) to simulate medicanes. The aim of this study is to assess the robustness of the coupled model in simulating these extreme events. For this purpose, 11 historical medicane events are simulated using the atmosphere-only model, COSMO-CLM, and coupled model, with different setups (horizontal atmospheric grid spacings of 0.44, 0.22, and 0.08°; with/without spectral nudging, and an ocean grid spacing of 1/12°). The results show that at high resolution, the coupled model is able to not only simulate most of medicane events but also improve the track length, core temperature, and wind speed of simulated medicanes compared to the atmosphere-only simulations. The results suggest that the coupled model is more proficient for systemic and detailed studies of historical medicane events, and that this model can be an effective tool for future projections.

  10. Vibronic relaxation in molecular mixed crystals : Pentacene in naphthalene and p-terphenyl

    NARCIS (Netherlands)

    Hesselink, Wim H.; Wiersma, Douwe A.

    1981-01-01

    Picosecond photon echo techniques are used to measure directly vibronic relaxation times in the first excited singlet state of pentacene in naphthalene and p-terphenyl. In regions of low (< 300 cm–1) and high (> 1000 cm–1) vibrational energy, relaxation is fast (τ <2 ps) due to direct phonon

  11. Coupled intertwiner dynamics: A toy model for coupling matter to spin foam models

    OpenAIRE

    Steinhaus, Sebastian

    2015-01-01

    The universal coupling of matter and gravity is one of the most important features of general relativity. In quantum gravity, in particular spin foams, matter couplings have been defined in the past, yet the mutual dynamics, in particular if matter and gravity are strongly coupled, are hardly explored, which is related to the definition of both matter and gravitational degrees of freedom on the discretisation. However extracting this mutual dynamics is crucial in testing the viability of the ...

  12. Gauge coupling unification in superstring derived standard-like models

    International Nuclear Information System (INIS)

    Faraggi, A.E.

    1992-11-01

    I discuss gauge coupling unification in a class of superstring standard-like models, which are derived in the free fermionic formulation. Recent calculations indicate that the superstring unification scale is at O(10 18 GeV) while the minimal supersymmetric standard model is consistent with LEP data if the unification scale is at O(10 16 )GeV. A generic feature of the superstring standard-like models is the appearance of extra color triplets (D,D), and electroweak doublets (l,l), in vector-like representations, beyond the supersymmetric standard model. I show that the gauge coupling unification at O(10 18 GeV) in the superstring standard-like models can be consistent with LEP data. I present an explicit standard-like model that can realize superstring gauge coupling unification. (author)

  13. Inflationary models with non-minimally derivative coupling

    International Nuclear Information System (INIS)

    Yang, Nan; Fei, Qin; Gong, Yungui; Gao, Qing

    2016-01-01

    We derive the general formulae for the scalar and tensor spectral tilts to the second order for the inflationary models with non-minimally derivative coupling without taking the high friction limit. The non-minimally kinetic coupling to Einstein tensor brings the energy scale in the inflationary models down to be sub-Planckian. In the high friction limit, the Lyth bound is modified with an extra suppression factor, so that the field excursion of the inflaton is sub-Planckian. The inflationary models with non-minimally derivative coupling are more consistent with observations in the high friction limit. In particular, with the help of the non-minimally derivative coupling, the quartic power law potential is consistent with the observational constraint at 95% CL. (paper)

  14. Instabilities in dark coupled models and constraints from cosmological data

    CERN Document Server

    Honorez, L Lopez

    2010-01-01

    Coupled dark matter-dark energy systems can suffer from non-adiabatic instabilities at early times and large scales. In these proceedings, we consider two parameterizations of the dark sector interaction. In the first one the energy-momentum transfer 4-vector is parallel to the dark matter 4-velocity and in the second one to the dark energy 4-velocity. In these cases, coupled models which suffer from non-adiabatic instabilities can be identified as a function of a generic coupling Q and of the dark energy equation of state. In our analysis, we do not refer to any particular cosmic field. We confront then a viable class of models in which the interaction is directly proportional to the dark energy density and to the Hubble rate parameter to recent cosmological data. In that framework, we show that correlations between the dark coupling and several cosmological parameters allow for a larger neutrino mass than in uncoupled models.

  15. Adiabatic instability in coupled dark energy/dark matter models

    International Nuclear Information System (INIS)

    Bean, Rachel; Flanagan, Eanna E.; Trodden, Mark

    2008-01-01

    We consider theories in which there exists a nontrivial coupling between the dark matter sector and the sector responsible for the acceleration of the Universe. Such theories can possess an adiabatic regime in which the quintessence field always sits at the minimum of its effective potential, which is set by the local dark matter density. We show that if the coupling strength is much larger than gravitational, then the adiabatic regime is always subject to an instability. The instability, which can also be thought of as a type of Jeans instability, is characterized by a negative sound speed squared of an effective coupled dark matter/dark energy fluid, and results in the exponential growth of small scale modes. We discuss the role of the instability in specific coupled cold dark matter and mass varying neutrino models of dark energy and clarify for these theories the regimes in which the instability can be evaded due to nonadiabaticity or weak coupling.

  16. Relativistic nuclear matter with alternative derivative coupling models

    International Nuclear Information System (INIS)

    Delfino, A.; Coelho, C.T.; Malheiro, M.

    1994-01-01

    Effective Lagrangians involving nucleons coupled to scalar and vector fields are investigated within the framework of relativistic mean-field theory. The study presents the traditional Walecka model and different kinds of scalar derivative coupling suggested by Zimanyi and Moszkowski. The incompressibility (presented in an analytical form), scalar potential, and vector potential at the saturation point of nuclear matter are compared for these models. The real optical potential for the models are calculated and one of the models fits well the experimental curve from-50 to 400 MeV while also gives a soft equation of state. By varying the coupling constants and keeping the saturation point of nuclear matter approximately fixed, only the Walecka model presents a first order phase transition of finite temperature at zero density. (author)

  17. Vibronic Rabi resonances in harmonic and hard-wall ion traps for arbitrary laser intensity and detuning

    International Nuclear Information System (INIS)

    Lizuain, I.; Muga, J. G.

    2007-01-01

    We investigate laser-driven vibronic transitions of a single two-level atomic ion in harmonic and hard-wall traps. In the Lamb-Dicke regime, for tuned or detuned lasers with respect to the internal frequency of the ion, and weak or strong laser intensities, the vibronic transitions occur at well-isolated Rabi resonances, where the detuning-adapted Rabi frequency coincides with the transition frequency between vibrational modes. These vibronic resonances are characterized as avoided crossings of the dressed levels (eigenvalues of the full Hamiltonian). Their peculiarities due to symmetry constraints and trapping potential are also examined

  18. Modelling of complex heat transfer systems by the coupling method

    Energy Technology Data Exchange (ETDEWEB)

    Bacot, P.; Bonfils, R.; Neveu, A.; Ribuot, J. (Centre d' Energetique de l' Ecole des Mines de Paris, 75 (France))

    1985-04-01

    The coupling method proposed here is designed to reduce the size of matrices which appear in the modelling of heat transfer systems. It consists in isolating the elements that can be modelled separately, and among the input variables of a component, identifying those which will couple it to another component. By grouping these types of variable, one can thus identify a so-called coupling matrix of reduced size, and relate it to the overall system. This matrix allows the calculation of the coupling temperatures as a function of external stresses, and of the state of the overall system at the previous instant. The internal temperatures of the components are determined from for previous ones. Two examples of applications are presented, one concerning a dwelling unit, and the second a solar water heater.

  19. The Ising model coupled to 2d orders

    Science.gov (United States)

    Glaser, Lisa

    2018-04-01

    In this article we make first steps in coupling matter to causal set theory in the path integral. We explore the case of the Ising model coupled to the 2d discrete Einstein Hilbert action, restricted to the 2d orders. We probe the phase diagram in terms of the Wick rotation parameter β and the Ising coupling j and find that the matter and the causal sets together give rise to an interesting phase structure. The couplings give rise to five different phases. The causal sets take on random or crystalline characteristics as described in Surya (2012 Class. Quantum Grav. 29 132001) and the Ising model can be correlated or uncorrelated on the random orders and correlated, uncorrelated or anti-correlated on the crystalline orders. We find that at least one new phase transition arises, in which the Ising spins push the causal set into the crystalline phase.

  20. Strong Local-Nonlocal Coupling for Integrated Fracture Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Littlewood, David John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Silling, Stewart A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mitchell, John A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Seleson, Pablo D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bond, Stephen D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Parks, Michael L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Turner, Daniel Z. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Burnett, Damon J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ostien, Jakob [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Gunzburger, Max [Florida State Univ., Tallahassee, FL (United States)

    2015-09-01

    Peridynamics, a nonlocal extension of continuum mechanics, is unique in its ability to capture pervasive material failure. Its use in the majority of system-level analyses carried out at Sandia, however, is severely limited, due in large part to computational expense and the challenge posed by the imposition of nonlocal boundary conditions. Combined analyses in which peridynamics is em- ployed only in regions susceptible to material failure are therefore highly desirable, yet available coupling strategies have remained severely limited. This report is a summary of the Laboratory Directed Research and Development (LDRD) project "Strong Local-Nonlocal Coupling for Inte- grated Fracture Modeling," completed within the Computing and Information Sciences (CIS) In- vestment Area at Sandia National Laboratories. A number of challenges inherent to coupling local and nonlocal models are addressed. A primary result is the extension of peridynamics to facilitate a variable nonlocal length scale. This approach, termed the peridynamic partial stress, can greatly reduce the mathematical incompatibility between local and nonlocal equations through reduction of the peridynamic horizon in the vicinity of a model interface. A second result is the formulation of a blending-based coupling approach that may be applied either as the primary coupling strategy, or in combination with the peridynamic partial stress. This blending-based approach is distinct from general blending methods, such as the Arlequin approach, in that it is specific to the coupling of peridynamics and classical continuum mechanics. Facilitating the coupling of peridynamics and classical continuum mechanics has also required innovations aimed directly at peridynamic models. Specifically, the properties of peridynamic constitutive models near domain boundaries and shortcomings in available discretization strategies have been addressed. The results are a class of position-aware peridynamic constitutive laws for

  1. Mildly mixed coupled models vs. WMAP7 data

    International Nuclear Information System (INIS)

    La Vacca, Giuseppe; Bonometto, Silvio A.

    2011-01-01

    Mildly mixed coupled models include massive ν's and CDM-DE coupling. We present new tests of their likelihood vs. recent data including WMAP7, confirming it to exceed ΛCDM, although at ∼2--σ's. We then show the impact on the physics of the dark components of ν-mass detection in 3 H β-decay or 0νββ-decay experiments.

  2. Phenomenological model for coupled multi-axial piezoelectricity

    Science.gov (United States)

    Wei, Yuchen; Pellegrino, Sergio

    2018-03-01

    A quantitative calibration of an existing phenomenological model for polycrystalline ferroelectric ceramics is presented. The model relies on remnant strain and polarization as independent variables. Innovative experimental and numerical model identification procedures are developed for the characterization of the coupled electro-mechanical, multi-axial nonlinear constitutive law. Experiments were conducted on thin PZT-5A4E plates subjected to cross-thickness electric field. Unimorph structures with different thickness ratios between PZT-5A4E plate and substrate were tested, to subject the piezo plates to coupled electro-mechanical fields. Material state histories in electric field-strain-polarization space and stress-strain-polarization space were recorded. An optimization procedure is employed for the determination of the model parameters, and the calibrated constitutive law predicts both the uncoupled and coupled experimental observations accurately.

  3. 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

  4. Coupling constants and the nonrelativistic quark model with charmonium potential

    International Nuclear Information System (INIS)

    Chaichian, M.; Koegerler, R.

    1978-01-01

    Hadronic coupling constants of the vertices including charm mesons are calculated in a nonrelativistic quark model. The wave functions of the mesons which enter the corresponding overlap integrals are obtained from the charmonium picture as quark-antiquark bound state solutions of the Schroedinger equation. The model for the vertices takes into account in a dynamical way the SU 4 breakings through different masses of quarks and different wave functions in the overlap integrals. All hadronic vertices involving scalar, pseudoscalar, vector, pseudovector and tensor mesons are calculated up to an overall normalization constant. Regularities among the couplings of mesons and their radial excitations are observed: i) Couplings decrease with increasing order of radial excitations; ii) In general they change sign if a particle is replaced by its next radial excitation. The k-dependence of the vertices is studied. This has potential importance in explaining the unorthodox ratios in different decay channels. Having got the hadronic couplings radiative transitions are obtained with the current coupled to mesons and their recurrences. The resulting width values are smaller than those conventionally obtained in the naive quark model. The whole picture is only adequate for nonrelativistic configurations, as for the members of the charmonium- or of the UPSILON-family and most calculations have been done for transitions among charmed states. To see how far nonrelativistic concepts can be applied, couplings of light mesons are also considered. (author)

  5. 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

  6. Coupling of Groundwater Transport and Plant Uptake Models

    DEFF Research Database (Denmark)

    Rein, Arno; Bauer-Gottwein, Peter; Trapp, Stefan

    2010-01-01

    in environmental systems at different scale. Feedback mechanisms between plants and hydrological systems can play an important role, however having received little attention to date. Here, a new model concept for dynamic plant uptake models applying analytical matrix solutions is presented, which can be coupled...

  7. Energy demand analytics using coupled technological and economic models

    Science.gov (United States)

    Impacts of a range of policy scenarios on end-use energy demand are examined using a coupling of MARKAL, an energy system model with extensive supply and end-use technological detail, with Inforum LIFT, a large-scale model of the us. economy with inter-industry, government, and c...

  8. Fluid coupling in a discrete model of cochlear mechanics.

    Science.gov (United States)

    Elliott, Stephen J; Lineton, Ben; Ni, Guangjian

    2011-09-01

    A discrete model of cochlear mechanics is introduced that includes a full, three-dimensional, description of fluid coupling. This formulation allows the fluid coupling and basilar membrane dynamics to be analyzed separately and then coupled together with a simple piece of linear algebra. The fluid coupling is initially analyzed using a wavenumber formulation and is separated into one component due to one-dimensional fluid coupling and one comprising all the other contributions. Using the theory of acoustic waves in a duct, however, these two components of the pressure can also be associated with a far field, due to the plane wave, and a near field, due to the evanescent, higher order, modes. The near field components are then seen as one of a number of sources of additional longitudinal coupling in the cochlea. The effects of non-uniformity and asymmetry in the fluid chamber areas can also be taken into account, to predict both the pressure difference between the chambers and the mean pressure. This allows the calculation, for example, of the effect of a short cochlear implant on the coupled response of the cochlea. © 2011 Acoustical Society of America

  9. New Trends in Model Coupling Theory, Numerics and Applications

    International Nuclear Information System (INIS)

    Coquel, F.; Godlewski, E.; Herard, J. M.; Segre, J.

    2010-01-01

    This special issue comprises selected papers from the workshop New Trends in Model Coupling, Theory, Numerics and Applications (NTMC'09) which took place in Paris, September 2 - 4, 2009. The research of optimal technological solutions in a large amount of industrial systems requires to perform numerical simulations of complex phenomena which are often characterized by the coupling of models related to various space and/or time scales. Thus, the so-called multi-scale modelling has been a thriving scientific activity which connects applied mathematics and other disciplines such as physics, chemistry, biology or even social sciences. To illustrate the variety of fields concerned by the natural occurrence of model coupling we may quote: meteorology where it is required to take into account several turbulence scales or the interaction between oceans and atmosphere, but also regional models in a global description, solid mechanics where a thorough understanding of complex phenomena such as propagation of cracks needs to couple various models from the atomistic level to the macroscopic level; plasma physics for fusion energy for instance where dense plasmas and collisionless plasma coexist; multiphase fluid dynamics when several types of flow corresponding to several types of models are present simultaneously in complex circuits; social behaviour analysis with interaction between individual actions and collective behaviour. (authors)

  10. Initialization and Predictability of a Coupled ENSO Forecast Model

    Science.gov (United States)

    Chen, Dake; Zebiak, Stephen E.; Cane, Mark A.; Busalacchi, Antonio J.

    1997-01-01

    The skill of a coupled ocean-atmosphere model in predicting ENSO has recently been improved using a new initialization procedure in which initial conditions are obtained from the coupled model, nudged toward observations of wind stress. The previous procedure involved direct insertion of wind stress observations, ignoring model feedback from ocean to atmosphere. The success of the new scheme is attributed to its explicit consideration of ocean-atmosphere coupling and the associated reduction of "initialization shock" and random noise. The so-called spring predictability barrier is eliminated, suggesting that such a barrier is not intrinsic to the real climate system. Initial attempts to generalize the nudging procedure to include SST were not successful; possible explanations are offered. In all experiments forecast skill is found to be much higher for the 1980s than for the 1970s and 1990s, suggesting decadal variations in predictability.

  11. Coupled models in porous media: reactive transport and fractures

    International Nuclear Information System (INIS)

    Amir, L.

    2008-12-01

    This thesis deals with numerical simulation of coupled models for flow and transport in porous media. We present a new method for coupling chemical reactions and transport by using a Newton-Krylov method, and we also present a model of flow in fractured media, based on a domain decomposition method that takes into account the case of intersecting fractures. This study is composed of three parts: the first part contains an analysis, and implementation, of various numerical methods for discretizing advection-diffusion problems, in particular by using operator splitting methods. The second part is concerned with a fully coupled method for modeling transport and chemistry problems. The coupled transport-chemistry model is described, after discretization in time, by a system of nonlinear equations. The size of the system, namely the number of grid points times the number a chemical species, precludes a direct solution of the linear system. To alleviate this difficulty, we solve the system by a Newton-Krylov method, so as to avoid forming and factoring the Jacobian matrix. In the last part, we present a model of flow in 3D for intersecting fractures, by using a domain decomposition method. The fractures are treated as interfaces between sub-domains. We show existence and uniqueness of the solution, and we validate the model by numerical tests. (author)

  12. Solutions of several coupled discrete models in terms of Lamé ...

    Indian Academy of Sciences (India)

    The models discussed are: coupled Salerno model,; coupled Ablowitz–Ladik model,; coupled 4 model and; coupled 6 model. In all these cases we show that the coefficients of the Lamé polynomials are such that the Lamé polynomials can be re-expressed in terms of Chebyshev polynomials of the relevant Jacobi elliptic ...

  13. Coupling meteorological and hydrological models for flood forecasting

    Directory of Open Access Journals (Sweden)

    Bartholmes

    2005-01-01

    Full Text Available This paper deals with the problem of analysing the coupling of meteorological meso-scale quantitative precipitation forecasts with distributed rainfall-runoff models to extend the forecasting horizon. Traditionally, semi-distributed rainfall-runoff models have been used for real time flood forecasting. More recently, increased computer capabilities allow the utilisation of distributed hydrological models with mesh sizes from tenths of metres to a few kilometres. On the other hand, meteorological models, providing the quantitative precipitation forecast, tend to produce average values on meshes ranging from slightly less than 10 to 200 kilometres. Therefore, to improve the quality of flood forecasts, the effects of coupling the meteorological and the hydrological models at different scales were analysed. A distributed hydrological model (TOPKAPI was developed and calibrated using a 1x1 km mesh for the case of the river Po closed at Ponte Spessa (catchment area c. 37000 km2. The model was then coupled with several other European meteorological models ranging from the Limited Area Models (provided by DMI and DWD with resolutions from 0.0625° * 0.0625°, to the ECMWF ensemble predictions with a resolution of 1.85° * 1.85°. Interesting results, describing the coupled model behaviour, are available for a meteorological extreme event in Northern Italy (Nov. 1994. The results demonstrate the poor reliability of the quantitative precipitation forecasts produced by meteorological models presently available; this is not resolved using the Ensemble Forecasting technique, when compared with results obtainable with measured rainfall.

  14. Modelling Nephron Autoregulation and Synchronization in Coupled Nephron Systems

    DEFF Research Database (Denmark)

    Laugesen, Jakob Lund

    between oscillating period-doubling systems is the topic of the larger part of the study. Since synchronization is a fundamental phenomenon in all sciences, it is treated from a general viewpoint by analyzing one of the most simple dynamical systems, the R¨ossler system, both in an externally forced...... version and in the form of two mutually coupled oscillators. The bifurcational mechanism to resonant dynamics and chaotic phase synchronization is described in detail. The transition from synchronized to non-synchronized dynamics is known to take place at a dense set of saddlenode bifurcations that run...... to exist in an externally forced nephron model and in a model of two vascular coupled nephrons, underlining that the discussed phenomena are of a common nature to forced and coupled period-doubling systems....

  15. Neutron stars in non-linear coupling models

    International Nuclear Information System (INIS)

    Taurines, Andre R.; Vasconcellos, Cesar A.Z.; Malheiro, Manuel; Chiapparini, Marcelo

    2001-01-01

    We present a class of relativistic models for nuclear matter and neutron stars which exhibits a parameterization, through mathematical constants, of the non-linear meson-baryon couplings. For appropriate choices of the parameters, it recovers current QHD models found in the literature: Walecka, ZM and ZM3 models. We have found that the ZM3 model predicts a very small maximum neutron star mass, ∼ 0.72M s un. A strong similarity between the results of ZM-like models and those with exponential couplings is noted. Finally, we discuss the very intense scalar condensates found in the interior of neutron stars which may lead to negative effective masses. (author)

  16. Neutron stars in non-linear coupling models

    Energy Technology Data Exchange (ETDEWEB)

    Taurines, Andre R.; Vasconcellos, Cesar A.Z. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil); Malheiro, Manuel [Universidade Federal Fluminense, Niteroi, RJ (Brazil); Chiapparini, Marcelo [Universidade do Estado, Rio de Janeiro, RJ (Brazil)

    2001-07-01

    We present a class of relativistic models for nuclear matter and neutron stars which exhibits a parameterization, through mathematical constants, of the non-linear meson-baryon couplings. For appropriate choices of the parameters, it recovers current QHD models found in the literature: Walecka, ZM and ZM3 models. We have found that the ZM3 model predicts a very small maximum neutron star mass, {approx} 0.72M{sub s}un. A strong similarity between the results of ZM-like models and those with exponential couplings is noted. Finally, we discuss the very intense scalar condensates found in the interior of neutron stars which may lead to negative effective masses. (author)

  17. Evacuation emergency response model coupling atmospheric release advisory capability output

    International Nuclear Information System (INIS)

    Rosen, L.C.; Lawver, B.S.; Buckley, D.W.; Finn, S.P.; Swenson, J.B.

    1983-01-01

    A Federal Emergency Management Agency (FEMA) sponsored project to develop a coupled set of models between those of the Lawrence Livermore National Laboratory (LLNL) Atmospheric Release Advisory Capability (ARAC) system and candidate evacuation models is discussed herein. This report describes the ARAC system and discusses the rapid computer code developed and the coupling with ARAC output. The computer code is adapted to the use of color graphics as a means to display and convey the dynamics of an emergency evacuation. The model is applied to a specific case of an emergency evacuation of individuals surrounding the Rancho Seco Nuclear Power Plant, located approximately 25 miles southeast of Sacramento, California. The graphics available to the model user for the Rancho Seco example are displayed and noted in detail. Suggestions for future, potential improvements to the emergency evacuation model are presented

  18. Phase sensitive control of vibronic guest-host interaction: Br2 in Ar matrix.

    Science.gov (United States)

    Ibrahim, Heide; Héjjas, Mónika; Fushitani, Mizuho; Schwentner, Nikolaus

    2009-07-02

    Vibronic progressions are programmed into a pulse shaper which converts them via the inherent Fourier transformation into a train of femtosecond pulses in time domain for chromophore excitation. Double pulse results agree with phase-sensitive wave packet superposition from a Michelson interferometer which delivers coherence times with high reliability. Spectral resolution of 1 nm and a spacing of around 4 nm within the 20 nm envelope centered at 590 nm delivers a train of seven phase-controlled 40 fs subpulses separated by 250 fs. Combs adjusted to the zero phonon lines (ZPL) and phonon sidebands (PSB) of the B state vibronic progression are reproduced in the chromophore for a coherent subpulse accumulation. B state ZPL wave packet dynamics dominates in pump-probe spectra due to its coherence despite an overwhelming but incoherent A state contribution in absorption. PSB comb accumulation is also phase sensitive and demonstrates coherence within several 100 matrix degrees of freedom in the vicinity.

  19. Selective two-photon excitation of a vibronic state by correlated photons.

    Science.gov (United States)

    Oka, Hisaki

    2011-03-28

    We theoretically investigate the two-photon excitation of a molecular vibronic state by correlated photons with energy anticorrelation. A Morse oscillator having three sets of vibronic states is used, as an example, to evaluate the selectivity and efficiency of two-photon excitation. We show that a vibrational mode can be selectively excited with high efficiency by the correlated photons, without phase manipulation or pulse-shaping techniques. This can be achieved by controlling the quantum correlation so that the photon pair concurrently has two pulse widths, namely, a temporally narrow width and a spectrally narrow width. Though this concurrence is seemingly contradictory, we can create such a photon pair by tailoring the quantum correlation between two photons.

  20. Organic Microcrystal Vibronic Lasers with Full-Spectrum Tunable Output beyond the Franck-Condon Principle.

    Science.gov (United States)

    Dong, Haiyun; Zhang, Chunhuan; Liu, Yuan; Yan, Yongli; Hu, Fengqin; Zhao, Yong Sheng

    2018-03-12

    The very broad emission bands of organic semiconductor materials are, in theory, suitable for achieving versatile solid-state lasers; however, most of organic materials only lase at short wavelength corresponding to the 0-1 transition governed by the Franck-Condon (FC) principle. A strategy is developed to overcome the limit of FC principle for tailoring the output of microlasers over a wide range based on the controlled vibronic emission of organic materials at microcrystal state. For the first time, the output wavelength of organic lasers is tailored across all vibronic (0-1, 0-2, 0-3, and even 0-4) bands spanning the entire emission spectrum. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

    International Nuclear Information System (INIS)

    Munafò, A.; Alfuhaid, S. A.; Panesi, M.; Cambier, J.-L.

    2015-01-01

    The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients

  2. Nonlinear local electrovascular coupling. I: A theoretical model.

    Science.gov (United States)

    Riera, Jorge J; Wan, Xiaohong; Jimenez, Juan Carlos; Kawashima, Ryuta

    2006-11-01

    Here we present a detailed biophysical model of how brain electrical and vascular dynamics are generated within a basic cortical unit. The model was obtained from coupling a canonical neuronal mass and an expandable vasculature. In this proposal, we address several aspects related to electroencephalographic and functional magnetic resonance imaging data fusion: (1) the impact of the cerebral architecture (at different physical levels) on the observations; (2) the physiology involved in electrovascular coupling; and (3) energetic considerations to gain a better understanding of how the glucose budget is used during neuronal activity. The model has three components. The first is the canonical neural mass model of three subpopulations of neurons that respond to incoming excitatory synaptic inputs. The generation of the membrane potentials in the somas of these neurons and the electric currents flowing in the neuropil are modeled by this component. The second and third components model the electrovascular coupling and the dynamics of vascular states in an extended balloon approach, respectively. In the first part we describe, in some detail, the biophysical model and establish its face validity using simulations of visually evoked responses under different flickering frequencies and luminous contrasts. In a second part, a recursive optimization algorithm is developed and used to make statistical inferences about this forward/generative model from actual data. Copyright 2006 Wiley-Liss, Inc.

  3. Model-independent determination of hadronic neutral-current couplings

    International Nuclear Information System (INIS)

    Claudson, M.; Paschos, E.A.; Strait, J.; Sulak, L.R.

    1979-01-01

    Completion of a second generation of experiments on neutrino-induced neutral-current reactions allows a more discriminating study of neutral-current couplings to hadrons. To minimize the sensitivity to model-dependent analyses of inclusive and exclusive pion data, we base our work on measurements of deep-inelastic and elastic reactions alone. Within the regions allowed by the deep-inelastic data for scattering on isoscalar targets, the coupling constants are fit to the q 2 dependence of the neutrino-proton elastic scattering data. This procedure initially yields two solutions for the couplings. One of these, at theta/sub L/ = 55 0 and theta/sub R/ = 205 0 , is predominantly isoscalar and therefore is ruled out by only qualitative consideration of exclusive pion data. The other solution at theta/sub D/ = 140 0 and and theta/sub R/ = 330 0 , is thus a unique determination of the hadronic neutral-current couplings. It coincides with solution A obtained in earlier work, and is insensitive to variations of M/sub A/ within 2 standard deviations of the world average. When constrained to the coupling constants required by the Weinberg-Salam model, the fit agrees with the data to within 1 standard deviation

  4. The Raman and vibronic activity of intermolecular vibrations in aromatic-containing complexes and clusters

    International Nuclear Information System (INIS)

    Maxton, P.M.; Schaeffer, M.W.; Ohline, S.M.; Kim, W.; Venturo, V.A.; Felker, P.M.

    1994-01-01

    Theoretical and experimental results pertaining to the excitation of intermolecular vibrations in the Raman and vibronic spectra of aromatic-containing, weakly bound complexes and clusters are reported. The theoretical analysis of intermolecular Raman activity is based on the assumption that the polarizability tensor of a weakly bound species is given by the sum of the polarizability tensors of its constituent monomers. The analysis shows that the van der Waals bending fundamentals in aromatic--rare gas complexes may be expected to be strongly Raman active. More generally, it predicts strong Raman activity for intermolecular vibrations that involve the libration or internal rotation of monomer moieties having appreciable permanent polarizability anisotropies. The vibronic activity of intermolecular vibrations in aromatic-rare gas complexes is analyzed under the assumption that every vibronic band gains its strength from an aromatic-localized transition. It is found that intermolecular vibrational excitations can accompany aromatic-localized vibronic excitations by the usual Franck--Condon mechanism or by a mechanism dependent on the librational amplitude of the aromatic moiety during the course of the pertinent intermolecular vibration. The latter mechanism can impart appreciable intensity to bands that are forbidden by rigid-molecule symmetry selection rules. The applicability of such rules is therefore called into question. Finally, experimental spectra of intermolecular transitions, obtained by mass-selective, ionization-detected stimulated Raman spectroscopies, are reported for benzene--X (X=Ar, --Ar 2 , N 2 , HCl, CO 2 , and --fluorene), fluorobenzene--Ar and --Kr, aniline--Ar, and fluorene--Ar and --Ar 2 . The results support the conclusions of the theoretical analyses and provide further evidence for the value of Raman methods in characterizing intermolecular vibrational level structures

  5. Simple model with damping of the mode-coupling instability

    Energy Technology Data Exchange (ETDEWEB)

    Pestrikov, D V [AN SSSR, Novosibirsk (Russian Federation). Inst. Yadernoj Fiziki

    1996-08-01

    In this paper we use a simple model to study the suppression of the transverse mode-coupling instability. Two possibilities are considered. One is due to the damping of particular synchrobetatron modes, and another - due to Landau damping, caused by the nonlinearity of betatron oscillations. (author)

  6. A weighted coupling metric for business process models

    NARCIS (Netherlands)

    Vanderfeesten, I.T.P.; Cardoso, J.; Reijers, H.A.; Eder, J.; Tomassen, S.L.; Opdahl, A.; Sindre, G.

    2007-01-01

    Various efforts recently aimed at the development of quality metrics for process models. In this paper, we propose a new notion of coupling, which has been used successfully in software engineering for many years. It extends other work by specifically incorporating the effects of different types of

  7. Noise Controlled Synchronization in Potassium Coupled Neural Models

    DEFF Research Database (Denmark)

    Postnov, D. E.; Ryazanova, L. S.; Zhirin, R. A.

    2007-01-01

    The paper applies biologically plausible models to investigate how noise input to small ensembles of neurons, coupled via the extracellular potassium concentration, can influence their firing patterns. Using the noise intensity and the volume of the extracellular space as control parameters, we......-temporal oscillations in neuronal ensembles....

  8. Analysis and reconstruction of stochastic coupled map lattice models

    International Nuclear Information System (INIS)

    Coca, Daniel; Billings, Stephen A.

    2003-01-01

    The Letter introduces a general stochastic coupled lattice map model together with an algorithm to estimate the nodal equations involved based only on a small set of observable variables and in the presence of stochastic perturbations. More general forms of the Frobenius-Perron and the transfer operators, which describe the evolution of densities under the action of the CML transformation, are derived

  9. Quantum field model of strong-coupling binucleon

    International Nuclear Information System (INIS)

    Amirkhanov, I.V.; Puzynin, I.V.; Puzynina, T.P.; Strizh, T.A.; Zemlyanaya, E.V.; Lakhno, V.D.

    1996-01-01

    The quantum field binucleon model for the case of the nucleon spot interaction with the scalar and pseudoscalar meson fields is considered. It is shown that the nonrelativistic problem of the two nucleon interaction reduces to the one-particle problem. For the strong coupling limit the nonlinear equations describing two nucleons in the meson field are developed [ru

  10. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    International Nuclear Information System (INIS)

    Sonnenthale, E.

    2001-01-01

    The purpose of this Analysis/Model Report (AMR) is to document the Near-Field Environment (NFE) and Unsaturated Zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrologic-chemical (THC) processes on unsaturated zone flow and transport. This is in accordance with the ''Technical Work Plan (TWP) for Unsaturated Zone Flow and Transport Process Model Report'', Addendum D, Attachment D-4 (Civilian Radioactive Waste Management System (CRWMS) Management and Operating Contractor (M and O) 2000 [1534471]) and ''Technical Work Plan for Nearfield Environment Thermal Analyses and Testing'' (CRWMS M and O 2000 [153309]). These models include the Drift Scale Test (DST) THC Model and several THC seepage models. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal loading conditions, and predict the chemistry of waters and gases entering potential waste-emplacement drifts. The intended use of this AMR is to provide input for the following: Performance Assessment (PA); Near-Field Environment (NFE) PMR; Abstraction of Drift-Scale Coupled Processes AMR (ANL-NBS-HS-000029); and UZ Flow and Transport Process Model Report (PMR). The work scope for this activity is presented in the TWPs cited above, and summarized as follows: Continue development of the repository drift-scale THC seepage model used in support of the TSPA in-drift geochemical model; incorporate heterogeneous fracture property realizations; study sensitivity of results to changes in input data and mineral assemblage; validate the DST model by comparison with field data; perform simulations to predict mineral dissolution and precipitation and their effects on fracture properties and chemistry of water (but not flow rates) that may seep into drifts; submit modeling results to the TDMS and document the models. The model development, input data, sensitivity and validation studies described in this AMR are

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

    Science.gov (United States)

    Garner, Scott M.; Miller, Terry A.

    2017-06-01

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

  12. Coupled RELAP5/GOTHIC model for IRIS SBLOCA analysis

    International Nuclear Information System (INIS)

    Grgic, D.; Cavlina, N.; Bajs, T.; Oriani, L.; Conway, L. E.

    2004-01-01

    Historically, accident analyses for nuclear power plants have been successfully performed using system thermal-hydraulics codes. In case of complex problems involving solution of thermal-hydraulics together with other disciplines such as: reactor physics, chemistry, aerosol dynamics, metallurgy; system codes are usually not enough or prediction capability can be improved by addition of separate computational models. The similar is true in case when interaction of different solution domains should be calculated (e.g. primary system and containment) with different physical models, or very different spatial or time discretization. An interesting example of such kind of interaction of different evaluation models is given by containment and reactor coolant system accident analysis of the IRIS. Previously, the different physical phenomena involved in the analyses and the need for different spatial and time discretization have led to the development of separate and specialized computer codes and evaluation models for the analysis of these two systems. The different mathematical models available are typically used independently based on external iterations and appropriate boundary conditions. In fact, the interaction of the reactor coolant system and containment is typically analyzed with two independent runs. First the mass and energy (MandE) released from the reactor versus time is calculated by a system code using a conservatively (low), bounding, containment pressure, and then the containment response is calculated for that MandE release versus time. This approach is usually sufficient for current LWR reactors. In new advanced passive reactor systems, interaction of the coolant system and containment is much more important since it impacts on the evolution of the transients. Therefore, a different modeling strategy is needed. The most straightforward approach for analyzing interacting systems would be to adopt a single evaluation model for the two coupled systems

  13. Non compact continuum limit of two coupled Potts models

    International Nuclear Information System (INIS)

    Vernier, Éric; Jacobsen, Jesper Lykke; Saleur, Hubert

    2014-01-01

    We study two Q-state Potts models coupled by the product of their energy operators, in the regime 2  3 (2) vertex model. It corresponds to a selfdual system of two antiferromagnetic Potts models, coupled ferromagnetically. We derive the Bethe ansatz equations and study them numerically for two arbitrary twist angles. The continuum limit is shown to involve two compact bosons and one non compact boson, with discrete states emerging from the continuum at appropriate twists. The non compact boson entails strong logarithmic corrections to the finite-size behaviour of the scaling levels, an understanding of which allows us to correct an earlier proposal for some of the critical exponents. In particular, we infer the full set of magnetic scaling dimensions (watermelon operators) of the Potts model. (paper)

  14. Coupling atmospheric and ocean wave models for storm simulation

    DEFF Research Database (Denmark)

    Du, Jianting

    the atmosphere must, by conservation, result in the generation of the surface waves and currents. The physics-based methods are sensitive to the choice of wind-input source function (Sin), parameterization of high-frequency wave spectra tail, and numerical cut-off frequencies. Unfortunately, literature survey......This thesis studies the wind-wave interactions through the coupling between the atmospheric model and ocean surface wave models. Special attention is put on storm simulations in the North Sea for wind energy applications in the coastal zones. The two aspects, namely storm conditions and coastal...... shows that in most wind-wave coupling systems, either the Sin in the wave model is different from the one used for the momentum flux estimation in the atmospheric model, or the methods are too sensitive to the parameterization of high-frequency spectra tail and numerical cut-off frequencies. To confront...

  15. Mathematical Modeling of Neuro-Vascular Coupling in Rat Cerebellum

    DEFF Research Database (Denmark)

    Rasmussen, Tina

    Activity in the neurons called climbing fibers causes blood flow changes. But the physiological mechanisms which mediate the coupling are not well understood. This PhD thesis investigates the mechanisms of neuro-vascular coupling by means of mathematical methods. In experiments, the extracellularly...... measured field potential is used as an indicator of neuronal activity, and the cortical blood flow is measured by means of laser-Doppler flowmetry. Using system identification methods, these measurements have been used to construct and validate parametric mathematical models of the neuro-vascular system...

  16. VHTR core modeling: coupling between neutronic and thermal-hydraulics

    International Nuclear Information System (INIS)

    Limaiem, I.; Damian, F.; Raepsaet, X.; Studer, E.

    2005-01-01

    Following the present interest in the next generation nuclear power plan (NGNP), Cea is deploying special effort to develop new models and qualify its research tools for this next generation reactors core. In this framework, the Very High Temperature Reactor concept (VHTR) has an increasing place in the actual research program. In such type of core, a strong interaction exists between neutronic and thermal-hydraulics. Consequently, the global core modelling requires accounting for the temperature feedback in the neutronic models. The purpose of this paper is to present the new neutronic and thermal-hydraulics coupling model dedicated to the High Temperature Reactors (HTR). The coupling model integrates a new version of the neutronic scheme calculation developed in collaboration between Cea and Framatome-ANP. The neutronic calculations are performed using a specific calculation processes based on the APOLLO2 transport code and CRONOS2 diffusion code which are part of the French reactor physics code system SAPHYR. The thermal-hydraulics model is characterised by an equivalent porous media and 1-D fluid/3-D thermal model implemented in the CAST3M/ARCTURUS code. The porous media approach involves the definition of both homogenous and heterogeneous models to ensure a correct temperature feedback. This study highlights the sensitivity of the coupling system's parameters (radial/axial meshing and data exchange strategy between neutronic and thermal-hydraulics code). The parameters sensitivity study leads to the definition of an optimal coupling system specification for the VHTR. Besides, this work presents the first physical analysis of the VHTR core in steady-state condition. The analysis gives information about the 3-D power peaking and the temperature coefficient. Indeed, it covers different core configurations with different helium distribution in the core bypass. (authors)

  17. Coupling Hydrologic and Hydrodynamic Models to Estimate PMF

    Science.gov (United States)

    Felder, G.; Weingartner, R.

    2015-12-01

    Most sophisticated probable maximum flood (PMF) estimations derive the PMF from the probable maximum precipitation (PMP) by applying deterministic hydrologic models calibrated with observed data. This method is based on the assumption that the hydrological system is stationary, meaning that the system behaviour during the calibration period or the calibration event is presumed to be the same as it is during the PMF. However, as soon as a catchment-specific threshold is reached, the system is no longer stationary. At or beyond this threshold, retention areas, new flow paths, and changing runoff processes can strongly affect downstream peak discharge. These effects can be accounted for by coupling hydrologic and hydrodynamic models, a technique that is particularly promising when the expected peak discharge may considerably exceed the observed maximum discharge. In such cases, the coupling of hydrologic and hydraulic models has the potential to significantly increase the physical plausibility of PMF estimations. This procedure ensures both that the estimated extreme peak discharge does not exceed the physical limit based on riverbed capacity and that the dampening effect of inundation processes on peak discharge is considered. Our study discusses the prospect of considering retention effects on PMF estimations by coupling hydrologic and hydrodynamic models. This method is tested by forcing PREVAH, a semi-distributed deterministic hydrological model, with randomly generated, physically plausible extreme precipitation patterns. The resulting hydrographs are then used to externally force the hydraulic model BASEMENT-ETH (riverbed in 1D, potential inundation areas in 2D). Finally, the PMF estimation results obtained using the coupled modelling approach are compared to the results obtained using ordinary hydrologic modelling.

  18. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    International Nuclear Information System (INIS)

    Dixon, P.

    2004-01-01

    The purpose of this Model Report (REV02) is to document the unsaturated zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrological-chemical (THC) processes on UZ flow and transport. This Model Report has been developed in accordance with the ''Technical Work Plan for: Performance Assessment Unsaturated Zone'' (Bechtel SAIC Company, LLC (BSC) 2002 [160819]). The technical work plan (TWP) describes planning information pertaining to the technical scope, content, and management of this Model Report in Section 1.12, Work Package AUZM08, ''Coupled Effects on Flow and Seepage''. The plan for validation of the models documented in this Model Report is given in Attachment I, Model Validation Plans, Section I-3-4, of the TWP. Except for variations in acceptance criteria (Section 4.2), there were no deviations from this TWP. This report was developed in accordance with AP-SIII.10Q, ''Models''. This Model Report documents the THC Seepage Model and the Drift Scale Test (DST) THC Model. The THC Seepage Model is a drift-scale process model for predicting the composition of gas and water that could enter waste emplacement drifts and the effects of mineral alteration on flow in rocks surrounding drifts. The DST THC model is a drift-scale process model relying on the same conceptual model and much of the same input data (i.e., physical, hydrological, thermodynamic, and kinetic) as the THC Seepage Model. The DST THC Model is the primary method for validating the THC Seepage Model. The DST THC Model compares predicted water and gas compositions, as well as mineral alteration patterns, with observed data from the DST. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal-loading conditions, and predict the evolution of mineral alteration and fluid chemistry around potential waste emplacement drifts. The DST THC Model is used solely for the validation of the THC

  19. Coupled fermion-kink system in Jackiw-Rebbi model

    International Nuclear Information System (INIS)

    Amado, A.; Mohammadi, A.

    2017-01-01

    In this paper, we study Jackiw-Rebbi model, in which a massless fermion is coupled to the kink of λφ"4 theory through a Yukawa interaction. In the original Jackiw-Rebbi model, the soliton is prescribed. However, we are interested in the back-reaction of the fermion on the soliton besides the effect of the soliton on the fermion. Also, as a particular example, we consider a minimal supersymmetric kink model in (1 + 1) dimensions. In this case, the bosonic self-coupling, λ, and the Yukawa coupling between fermion and soliton, g, have a specific relation, g = √(λ/2). As the set of coupled equations of motion of the system is not analytically solvable, we use a numerical method to solve it self-consistently. We obtain the bound energy spectrum, bound states of the system and the corresponding shape of the soliton using a relaxation method, except for the zero mode fermionic state and threshold energies which are analytically solvable. With the aid of these results, we are able to show how the soliton is affected in general and supersymmetric cases. The results we obtain are consistent with the ones in the literature, considering the soliton as background. (orig.)

  20. Modular coupling of transport and chemistry: theory and model applications

    International Nuclear Information System (INIS)

    Pfingsten, W.

    1994-06-01

    For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by a random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. The modular-structured code was applied to three problems: a) incongruent dissolution of hydrated silicate gels, b) dissolution of portlandite and c) calcite dissolution and hypothetical dolomite precipitation. This allows for a comparison with other codes and their applications. The incongruent dissolution of cement phases, important for degradation of cementitious materials in a repository, can be included in the model without the problems which occur with a directly coupled code. The handling of a sharp multi-mineral front system showed a much faster calculation time compared to a directly coupled code application. Altogether, the results are in good agreement with other code calculations. Hence, the chosen modular concept of MCOTAC is more open to an easy extension of the code to include additional processes like sorption, kinetically controlled processes, transport in two or three spatial dimensions, and adaptation to new developments in computing (hardware and software), an important factor for applicability. (author) figs., tabs., refs

  1. Couplings

    Science.gov (United States)

    Stošić, Dušan; Auroux, Aline

    Basic principles of calorimetry coupled with other techniques are introduced. These methods are used in heterogeneous catalysis for characterization of acidic, basic and red-ox properties of solid catalysts. Estimation of these features is achieved by monitoring the interaction of various probe molecules with the surface of such materials. Overview of gas phase, as well as liquid phase techniques is given. Special attention is devoted to coupled calorimetry-volumetry method. Furthermore, the influence of different experimental parameters on the results of these techniques is discussed, since it is known that they can significantly influence the evaluation of catalytic properties of investigated materials.

  2. Full thermomechanical coupling in modelling of micropolar thermoelasticity

    Science.gov (United States)

    Murashkin, E. V.; Radayev, Y. N.

    2018-04-01

    The present paper is devoted to plane harmonic waves of displacements and microrotations propagating in fully coupled thermoelastic continua. The analysis is carried out in the framework of linear conventional thermoelastic micropolar continuum model. The reduced energy balance equation and the special form of the Helmholtz free energy are discussed. The constitutive constants providing fully coupling of equations of motion and heat conduction are considered. The dispersion equation is derived and analysed in the form bi-cubic and bi-quadratic polynoms product. The equation are analyzed by the computer algebra system Mathematica. Algebraic forms expressed by complex multivalued square and cubic radicals are obtained for wavenumbers of transverse and longitudinal waves. The exact forms of wavenumbers of a plane harmonic coupled thermoelastic waves are computed.

  3. A bidirectional coupling procedure applied to multiscale respiratory modeling

    Energy Technology Data Exchange (ETDEWEB)

    Kuprat, A.P., E-mail: andrew.kuprat@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Kabilan, S., E-mail: senthil.kabilan@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Carson, J.P., E-mail: james.carson@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Corley, R.A., E-mail: rick.corley@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States); Einstein, D.R., E-mail: daniel.einstein@pnnl.gov [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA (United States)

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton’s method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a “pressure-drop” residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD–ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  4. A bidirectional coupling procedure applied to multiscale respiratory modeling

    Science.gov (United States)

    Kuprat, A. P.; Kabilan, S.; Carson, J. P.; Corley, R. A.; Einstein, D. R.

    2013-07-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton's method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a "pressure-drop" residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  5. A bidirectional coupling procedure applied to multiscale respiratory modeling

    International Nuclear Information System (INIS)

    Kuprat, A.P.; Kabilan, S.; Carson, J.P.; Corley, R.A.; Einstein, D.R.

    2013-01-01

    In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton’s method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a “pressure-drop” residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD–ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural

  6. Coupling modeling and analysis of a wind energy converter

    Directory of Open Access Journals (Sweden)

    Jie-jie Li

    2016-06-01

    Full Text Available In this article, the numerical simulation of a 2.0-MW wind energy converter coupling is achieved by three-dimensional computer-aided design modeling technique and finite element method. The static performances and the buckling characteristics of the diaphragm coupling are investigated. The diaphragm coupling is divided into three substructures, namely, torque input end, the middle section, and the torque output end. Considering the assembly and contact conditions, the simulation analysis for stress responses of the diaphragm coupling is carried out. The buckling factor and buckling mode of the diaphragms are obtained, and the geometric parameters of the diaphragms are optimized according to their buckling characteristics. The relationship between the pretightening force of the bolts, which tighten the friction flange and the friction plate, and the sliding torque is given by an empirical formula. The reasonable ranges of the pretightening force and tighten torque of the bolts are recommended. The fatigue analysis of the diaphragms is completed, and the results show that the diaphragms are competent to the designed life of the diaphragm coupling.

  7. An analysis of seasonal predictability in coupled model forecasts

    Energy Technology Data Exchange (ETDEWEB)

    Peng, P.; Wang, W. [NOAA, Climate Prediction Center, Washington, DC (United States); Kumar, A. [NOAA, Climate Prediction Center, Washington, DC (United States); NCEP/NWS/NOAA, Climate Prediction Center, Camp Springs, MD (United States)

    2011-02-15

    In the recent decade, operational seasonal prediction systems based on initialized coupled models have been developed. An analysis of how the predictability of seasonal means in the initialized coupled predictions evolves with lead-time is presented. Because of the short lead-time, such an analysis for the temporal behavior of seasonal predictability involves a mix of both the predictability of the first and the second kind. The analysis focuses on the lead-time dependence of ensemble mean variance, and the forecast spread. Further, the analysis is for a fixed target season of December-January-February, and is for sea surface temperature, rainfall, and 200-mb height. The analysis is based on a large set of hindcasts from an initialized coupled seasonal prediction system. Various aspects of predictability of the first and the second kind are highlighted for variables with long (for example, SST), and fast (for example, atmospheric) adjustment time scale. An additional focus of the analysis is how the predictability in the initialized coupled seasonal predictions compares with estimates based on the AMIP simulations. The results indicate that differences in the set up of AMIP simulations and coupled predictions, for example, representation of air-sea interactions, and evolution of forecast spread from initial conditions do not change fundamental conclusion about the seasonal predictability. A discussion of the analysis presented herein, and its implications for the use of AMIP simulations for climate attribution, and for time-slice experiments to provide regional information, is also included. (orig.)

  8. Progress and challenges in coupled hydrodynamic-ecological estuarine modeling

    Science.gov (United States)

    Ganju, Neil K.; Brush, Mark J.; Rashleigh, Brenda; Aretxabaleta, Alfredo L.; del Barrio, Pilar; Grear, Jason S.; Harris, Lora A.; Lake, Samuel J.; McCardell, Grant; O'Donnell, James; Ralston, David K.; Signell, Richard P.; Testa, Jeremy; Vaudrey, Jamie M. P.

    2016-01-01

    Numerical modeling has emerged over the last several decades as a widely accepted tool for investigations in environmental sciences. In estuarine research, hydrodynamic and ecological models have moved along parallel tracks with regard to complexity, refinement, computational power, and incorporation of uncertainty. Coupled hydrodynamic-ecological models have been used to assess ecosystem processes and interactions, simulate future scenarios, and evaluate remedial actions in response to eutrophication, habitat loss, and freshwater diversion. The need to couple hydrodynamic and ecological models to address research and management questions is clear because dynamic feedbacks between biotic and physical processes are critical interactions within ecosystems. In this review, we present historical and modern perspectives on estuarine hydrodynamic and ecological modeling, consider model limitations, and address aspects of model linkage, skill assessment, and complexity. We discuss the balance between spatial and temporal resolution and present examples using different spatiotemporal scales. Finally, we recommend future lines of inquiry, approaches to balance complexity and uncertainty, and model transparency and utility. It is idealistic to think we can pursue a “theory of everything” for estuarine models, but recent advances suggest that models for both scientific investigations and management applications will continue to improve in terms of realism, precision, and accuracy.

  9. A relativistic point coupling model for nuclear structure calculations

    International Nuclear Information System (INIS)

    Buervenich, T.; Maruhn, J.A.; Madland, D.G.; Reinhard, P.G.

    2002-01-01

    A relativistic point coupling model is discussed focusing on a variety of aspects. In addition to the coupling using various bilinear Dirac invariants, derivative terms are also included to simulate finite-range effects. The formalism is presented for nuclear structure calculations of ground state properties of nuclei in the Hartree and Hartree-Fock approximations. Different fitting strategies for the determination of the parameters have been applied and the quality of the fit obtainable in this model is discussed. The model is then compared more generally to other mean-field approaches both formally and in the context of applications to ground-state properties of known and superheavy nuclei. Perspectives for further extensions such as an exact treatment of the exchange terms using a higher-order Fierz transformation are discussed briefly. (author)

  10. Model of coupled bands in even-even nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nadzhakov, E G; Nozharov, R M; Myankova, G Z; Antonova, V A [Bylgarska Akademiya na Naukite, Sofia. Inst. za Yadrena Izsledvaniya i Yadrena Energetika

    1979-01-01

    The model is derived in a natural way from the theory of coupled modes. It is based on an expansion of the Hamiltonian in terms of elementary transition operators, including direct rotation-vibration coupling with phonons. The treatment is limited to three types of phonons: ( I = K = 0), S (I = K = 1) and (I = K = 2). The basis of the operators, acting on the ground state is truncated by an inclusion of a reasonable number of phonon states. In the framework of this approximation one may evaluate the matrix elements of the model Hamiltonian and diagonalize it by standard numerical methods to fit the experimental spectrum. The well known picture of band hybridization is obtained as a special case of the model under consideration.

  11. Yukawa couplings in Superstring derived Standard-like models

    International Nuclear Information System (INIS)

    Faraggi, A.E.

    1991-01-01

    I discuss Yukawa couplings in Standard-like models which are derived from Superstring in the free fermionic formulation. I introduce new notation for the construction of these models. I show how choice of boundary conditions selects a trilevel Yukawa coupling either for +2/3 charged quark or for -1/3 charged quark. I prove this selection rule. I make the conjecture that in this class of standard-like models a possible connection may exist between the requirements of F and D flatness at the string level and the heaviness of the top quark relative to lighter quarks and leptons. I discuss how the choice of boundary conditions determines the non vanishing mass terms for quartic order terms. I discuss the implication on the mass of the top quark. (author)

  12. Land-Surface-Atmosphere Coupling in Observations and Models

    Directory of Open Access Journals (Sweden)

    Alan K Betts

    2009-07-01

    Full Text Available The diurnal cycle and the daily mean at the land-surface result from the coupling of many physical processes. The framework of this review is largely conceptual; looking for relationships and information in the coupling of processes in models and observations. Starting from the surface energy balance, the role of the surface and cloud albedos in the shortwave and longwave fluxes is discussed. A long-wave radiative scaling of the diurnal temperature range and the night-time boundary layer is summarized. Several aspects of the local surface energy partition are presented: the role of soilwater availability and clouds; vector methods for understanding mixed layer evolution, and the coupling between surface and boundary layer that determines the lifting condensation level. Moving to larger scales, evaporation-precipitation feedback in models is discussed; and the coupling of column water vapor, clouds and precipitation to vertical motion and moisture convergence over the Amazon. The final topic is a comparison of the ratio of surface shortwave cloud forcing to the diabatic precipitation forcing of the atmosphere in ERA-40 with observations.

  13. A Coupled Simulation Architecture for Agent-Based/Geohydrological Modelling

    Science.gov (United States)

    Jaxa-Rozen, M.

    2016-12-01

    The quantitative modelling of social-ecological systems can provide useful insights into the interplay between social and environmental processes, and their impact on emergent system dynamics. However, such models should acknowledge the complexity and uncertainty of both of the underlying subsystems. For instance, the agent-based models which are increasingly popular for groundwater management studies can be made more useful by directly accounting for the hydrological processes which drive environmental outcomes. Conversely, conventional environmental models can benefit from an agent-based depiction of the feedbacks and heuristics which influence the decisions of groundwater users. From this perspective, this work describes a Python-based software architecture which couples the popular NetLogo agent-based platform with the MODFLOW/SEAWAT geohydrological modelling environment. This approach enables users to implement agent-based models in NetLogo's user-friendly platform, while benefiting from the full capabilities of MODFLOW/SEAWAT packages or reusing existing geohydrological models. The software architecture is based on the pyNetLogo connector, which provides an interface between the NetLogo agent-based modelling software and the Python programming language. This functionality is then extended and combined with Python's object-oriented features, to design a simulation architecture which couples NetLogo with MODFLOW/SEAWAT through the FloPy library (Bakker et al., 2016). The Python programming language also provides access to a range of external packages which can be used for testing and analysing the coupled models, which is illustrated for an application of Aquifer Thermal Energy Storage (ATES).

  14. Seasonal predictability of Kiremt rainfall in coupled general circulation models

    Science.gov (United States)

    Gleixner, Stephanie; Keenlyside, Noel S.; Demissie, Teferi D.; Counillon, François; Wang, Yiguo; Viste, Ellen

    2017-11-01

    The Ethiopian economy and population is strongly dependent on rainfall. Operational seasonal predictions for the main rainy season (Kiremt, June-September) are based on statistical approaches with Pacific sea surface temperatures (SST) as the main predictor. Here we analyse dynamical predictions from 11 coupled general circulation models for the Kiremt seasons from 1985-2005 with the forecasts starting from the beginning of May. We find skillful predictions from three of the 11 models, but no model beats a simple linear prediction model based on the predicted Niño3.4 indices. The skill of the individual models for dynamically predicting Kiremt rainfall depends on the strength of the teleconnection between Kiremt rainfall and concurrent Pacific SST in the models. Models that do not simulate this teleconnection fail to capture the observed relationship between Kiremt rainfall and the large-scale Walker circulation.

  15. Coupling of nonlocal and local continuum models by the Arlequinapproach

    KAUST Repository

    Han, Fei

    2011-08-09

    The objective of this work is to develop and apply the Arlequin framework to couple nonlocal and local continuum mechanical models. A mechanically-based model of nonlocal elasticity, which involves both contact and long-range forces, is used for the \\'fine scale\\' description in which nonlocal interactions are considered to have non-negligible effects. Classical continuum mechanics only involving local contact forces is introduced for the rest of the structure where these nonlocal effects can be neglected. Both models overlap in a coupling subdomain called the \\'gluing area\\' in which the total energy is separated into nonlocal and local contributions by complementary weight functions. A weak compatibility is ensured between kinematics of both models using Lagrange multipliers over the gluing area. The discrete formulation of this specific Arlequin coupling framework is derived and fully described. The validity and limits of the technique are demonstrated through two-dimensional numerical applications and results are compared against those of the fully nonlocal elasticity method. © 2011 John Wiley & Sons, Ltd.

  16. MOUNTAIN-SCALE COUPLED PROCESSES (TH/THC/THM)MODELS

    Energy Technology Data Exchange (ETDEWEB)

    Y.S. Wu

    2005-08-24

    This report documents the development and validation of the mountain-scale thermal-hydrologic (TH), thermal-hydrologic-chemical (THC), and thermal-hydrologic-mechanical (THM) models. These models provide technical support for screening of features, events, and processes (FEPs) related to the effects of coupled TH/THC/THM processes on mountain-scale unsaturated zone (UZ) and saturated zone (SZ) flow at Yucca Mountain, Nevada (BSC 2005 [DIRS 174842], Section 2.1.1.1). The purpose and validation criteria for these models are specified in ''Technical Work Plan for: Near-Field Environment and Transport: Coupled Processes (Mountain-Scale TH/THC/THM, Drift-Scale THC Seepage, and Drift-Scale Abstraction) Model Report Integration'' (BSC 2005 [DIRS 174842]). Model results are used to support exclusion of certain FEPs from the total system performance assessment for the license application (TSPA-LA) model on the basis of low consequence, consistent with the requirements of 10 CFR 63.342 [DIRS 173273]. Outputs from this report are not direct feeds to the TSPA-LA. All the FEPs related to the effects of coupled TH/THC/THM processes on mountain-scale UZ and SZ flow are discussed in Sections 6 and 7 of this report. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The mountain-scale TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH model captures mountain-scale three-dimensional flow effects, including lateral diversion and mountain-scale flow patterns. The mountain-scale THC model evaluates TH effects on

  17. MOUNTAIN-SCALE COUPLED PROCESSES (TH/THC/THM) MODELS

    International Nuclear Information System (INIS)

    Y.S. Wu

    2005-01-01

    This report documents the development and validation of the mountain-scale thermal-hydrologic (TH), thermal-hydrologic-chemical (THC), and thermal-hydrologic-mechanical (THM) models. These models provide technical support for screening of features, events, and processes (FEPs) related to the effects of coupled TH/THC/THM processes on mountain-scale unsaturated zone (UZ) and saturated zone (SZ) flow at Yucca Mountain, Nevada (BSC 2005 [DIRS 174842], Section 2.1.1.1). The purpose and validation criteria for these models are specified in ''Technical Work Plan for: Near-Field Environment and Transport: Coupled Processes (Mountain-Scale TH/THC/THM, Drift-Scale THC Seepage, and Drift-Scale Abstraction) Model Report Integration'' (BSC 2005 [DIRS 174842]). Model results are used to support exclusion of certain FEPs from the total system performance assessment for the license application (TSPA-LA) model on the basis of low consequence, consistent with the requirements of 10 CFR 63.342 [DIRS 173273]. Outputs from this report are not direct feeds to the TSPA-LA. All the FEPs related to the effects of coupled TH/THC/THM processes on mountain-scale UZ and SZ flow are discussed in Sections 6 and 7 of this report. The mountain-scale coupled TH/THC/THM processes models numerically simulate the impact of nuclear waste heat release on the natural hydrogeological system, including a representation of heat-driven processes occurring in the far field. The mountain-scale TH simulations provide predictions for thermally affected liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature (together called the flow fields). The main focus of the TH model is to predict the changes in water flux driven by evaporation/condensation processes, and drainage between drifts. The TH model captures mountain-scale three-dimensional flow effects, including lateral diversion and mountain-scale flow patterns. The mountain-scale THC model evaluates TH effects on water and gas

  18. Developing confidence in a coupled TH model based on the results of experiment by using engineering scale test facility, 'COUPLE'

    International Nuclear Information System (INIS)

    Fujisaki, Kiyoshi; Suzuki, Hideaki; Fujita, Tomoo

    2008-03-01

    It is necessary to understand quantitative changes of near-field conditions and processes over time and space for modeling the near-field evolution after emplacement of engineered barriers. However, the coupled phenomena in near-field are complicated because thermo-, hydro-, mechanical, chemical processes will interact each other. The question is, therefore, whether the applied model will represent the coupled behavior adequately or not. In order to develop confidence in the modeling, it is necessary to compare with results of coupled behavior experiments in laboratory or in site. In this report, we evaluated the applicability of a coupled T-H model under the conditions of simulated near-field for the results of coupled T-H experiment in laboratory. As a result, it has been shown that the fitting by the modeling with the measured data is reasonable under this condition. (author)

  19. A Coupled Atmospheric and Wave Modeling System for Storm Simulations

    DEFF Research Database (Denmark)

    Du, Jianting; Larsén, Xiaoli Guo; Bolanos, R.

    2015-01-01

    to parametrize z0. The results are validated through QuikScat data and point measurements from an open ocean site Ekosk and a coastal, relatively shallow water site Horns Rev. It is found that the modeling system captures in general better strong wind and strong wave characteristics for open ocean condition than......This study aims at improving the simulation of wind and waves during storms in connection with wind turbine design and operations in coastal areas. For this particular purpose, we investigated the Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) Modeling System which couples the Weather...... resolution ranging from 25km to 2km. Meanwhile, the atmospheric forcing data of dierent spatial resolution, with one about 100km (FNL) and the other about 38km (CFSR) are both used. In addition, bathymatry data of diferent resolutions (1arc-minute and 30arc-seconds) are used. We used three approaches...

  20. Self-duality for coupled Potts models on the triangular lattice

    International Nuclear Information System (INIS)

    Richard, Jean-Francois; Jacobsen, Jesper Lykke; Picco, Marco

    2004-01-01

    We present self-dual manifolds for coupled Potts models on the triangular lattice. We exploit two different techniques: duality followed by decimation, and mapping to a related loop model. The latter technique is found to be superior, and it allows us to include three-spin couplings. Starting from three coupled models, such couplings are necessary for generating self-dual solutions. A numerical study of the case of two coupled models leads to the identification of novel critical points

  1. Assessing groundwater policy with coupled economic-groundwater hydrologic modeling

    Science.gov (United States)

    Mulligan, Kevin B.; Brown, Casey; Yang, Yi-Chen E.; Ahlfeld, David P.

    2014-03-01

    This study explores groundwater management policies and the effect of modeling assumptions on the projected performance of those policies. The study compares an optimal economic allocation for groundwater use subject to streamflow constraints, achieved by a central planner with perfect foresight, with a uniform tax on groundwater use and a uniform quota on groundwater use. The policies are compared with two modeling approaches, the Optimal Control Model (OCM) and the Multi-Agent System Simulation (MASS). The economic decision models are coupled with a physically based representation of the aquifer using a calibrated MODFLOW groundwater model. The results indicate that uniformly applied policies perform poorly when simulated with more realistic, heterogeneous, myopic, and self-interested agents. In particular, the effects of the physical heterogeneity of the basin and the agents undercut the perceived benefits of policy instruments assessed with simple, single-cell groundwater modeling. This study demonstrates the results of coupling realistic hydrogeology and human behavior models to assess groundwater management policies. The Republican River Basin, which overlies a portion of the Ogallala aquifer in the High Plains of the United States, is used as a case study for this analysis.

  2. Solvable model for chimera states of coupled oscillators.

    Science.gov (United States)

    Abrams, Daniel M; Mirollo, Rennie; Strogatz, Steven H; Wiley, Daniel A

    2008-08-22

    Networks of identical, symmetrically coupled oscillators can spontaneously split into synchronized and desynchronized subpopulations. Such chimera states were discovered in 2002, but are not well understood theoretically. Here we obtain the first exact results about the stability, dynamics, and bifurcations of chimera states by analyzing a minimal model consisting of two interacting populations of oscillators. Along with a completely synchronous state, the system displays stable chimeras, breathing chimeras, and saddle-node, Hopf, and homoclinic bifurcations of chimeras.

  3. Non-Equilibrium Modeling of Inductively Coupled RF Plasmas

    Science.gov (United States)

    2015-01-01

    wall can be approximated with the expression for an infinite solenoid , B(r = R) = µ0NIc, where quan- tities N and Ic are the number of turns per unit...Modeling of non-equilibrium plasmas in an induc- tively coupled plasma facility. AIAA Paper 2014– 2235, 2014. 45th AIAA Plasmadynamics and Lasers ...1993. 24th Plas- madynamics and Laser Conference, Orlando, FL. [22] M. Capitelli, I. Armenise, D. Bruno, M. Caccia- tore, R. Celiberto, G. Colonna, O

  4. Strongly coupled models with a Higgs-like boson

    International Nuclear Information System (INIS)

    Pich, A.; Rosell, I.; Sanz-Cillero, J. J.

    2013-01-01

    Considering the one-loop calculation of the oblique S and T parameters, we have presented a study of the viability of strongly-coupled scenarios of electroweak symmetry breaking with a light Higgs-like boson. The calculation has been done by using an effective Lagrangian, being short-distance constraints and dispersive relations the main ingredients of the estimation. Contrary to a widely spread believe, we have demonstrated that strongly coupled electroweak models with massive resonances are not in conflict with experimental constraints on these parameters and the recently observed Higgs-like resonance. So there is room for these models, but they are stringently constrained. The vector and axial-vector states should be heavy enough (with masses above the TeV scale), the mass splitting between them is highly preferred to be small and the Higgs-like scalar should have a WW coupling close to the Standard Model one. It is important to stress that these conclusions do not depend critically on the inclusion of the second Weinberg sum rule. (authors)

  5. SAPS simulation with GITM/UCLA-RCM coupled model

    Science.gov (United States)

    Lu, Y.; Deng, Y.; Guo, J.; Zhang, D.; Wang, C. P.; Sheng, C.

    2017-12-01

    Abstract: SAPS simulation with GITM/UCLA-RCM coupled model Author: Yang Lu, Yue Deng, Jiapeng Guo, Donghe Zhang, Chih-Ping Wang, Cheng Sheng Ion velocity in the Sub Aurora region observed by Satellites in storm time often shows a significant westward component. The high speed westward stream is distinguished with convection pattern. These kind of events are called Sub Aurora Polarization Stream (SAPS). In March 17th 2013 storm, DMSP F18 satellite observed several SAPS cases when crossing Sub Aurora region. In this study, Global Ionosphere Thermosphere Model (GITM) has been coupled to UCLA-RCM model to simulate the impact of SAPS during March 2013 event on the ionosphere/thermosphere. The particle precipitation and electric field from RCM has been used to drive GITM. The conductance calculated from GITM has feedback to RCM to make the coupling to be self-consistent. The comparison of GITM simulations with different SAPS specifications will be conducted. The neutral wind from simulation will be compared with GOCE satellite. The comparison between runs with SAPS and without SAPS will separate the effect of SAPS from others and illustrate the impact on the TIDS/TADS propagating to both poleward and equatorward directions.

  6. Coupled Immunological and Biomechanical Model of Emphysema Progression

    Directory of Open Access Journals (Sweden)

    Mario Ceresa

    2018-04-01

    Full Text Available Chronic Obstructive Pulmonary Disease (COPD is a disabling respiratory pathology, with a high prevalence and a significant economic and social cost. It is characterized by different clinical phenotypes with different risk profiles. Detecting the correct phenotype, especially for the emphysema subtype, and predicting the risk of major exacerbations are key elements in order to deliver more effective treatments. However, emphysema onset and progression are influenced by a complex interaction between the immune system and the mechanical properties of biological tissue. The former causes chronic inflammation and tissue remodeling. The latter influences the effective resistance or appropriate mechanical response of the lung tissue to repeated breathing cycles. In this work we present a multi-scale model of both aspects, coupling Finite Element (FE and Agent Based (AB techniques that we would like to use to predict the onset and progression of emphysema in patients. The AB part is based on existing biological models of inflammation and immunological response as a set of coupled non-linear differential equations. The FE part simulates the biomechanical effects of repeated strain on the biological tissue. We devise a strategy to couple the discrete biological model at the molecular /cellular level and the biomechanical finite element simulations at the tissue level. We tested our implementation on a public emphysema image database and found that it can indeed simulate the evolution of clinical image biomarkers during disease progression.

  7. Strongly Coupled Models with a Higgs-like Boson

    Science.gov (United States)

    Pich, Antonio; Rosell, Ignasi; José Sanz-Cillero, Juan

    2013-11-01

    Considering the one-loop calculation of the oblique S and T parameters, we have presented a study of the viability of strongly-coupled scenarios of electroweak symmetry breaking with a light Higgs-like boson. The calculation has been done by using an effective Lagrangian, being short-distance constraints and dispersive relations the main ingredients of the estimation. Contrary to a widely spread believe, we have demonstrated that strongly coupled electroweak models with massive resonances are not in conflict with experimentalconstraints on these parameters and the recently observed Higgs-like resonance. So there is room for these models, but they are stringently constrained. The vector and axial-vector states should be heavy enough (with masses above the TeV scale), the mass splitting between them is highly preferred to be small and the Higgs-like scalar should have a WW coupling close to the Standard Model one. It is important to stress that these conclusions do not depend critically on the inclusion of the second Weinberg sum rule. We wish to thank the organizers of LHCP 2013 for the pleasant conference. This work has been supported in part by the Spanish Government and the European Commission [FPA2010-17747, FPA2011- 23778, AIC-D-2011-0818, SEV-2012-0249 (Severo Ochoa Program), CSD2007-00042 (Consolider Project CPAN)], the Generalitat Valenciana [PrometeoII/2013/007] and the Comunidad de Madrid [HEPHACOS S2009/ESP-1473].

  8. Nonequilibrium phase transitions in finite arrays of globally coupled Stratonovich models: strong coupling limit

    International Nuclear Information System (INIS)

    Senf, Fabian; Altrock, Philipp M; Behn, Ulrich

    2009-01-01

    A finite array of N globally coupled Stratonovich models exhibits a continuous nonequilibrium phase transition. In the limit of strong coupling, there is a clear separation of timescales of centre of mass and relative coordinates. The latter relax very fast to zero and the array behaves as a single entity described by the centre of mass coordinate. We compute analytically the stationary probability distribution and the moments of the centre of mass coordinate. The scaling behaviour of the moments near the critical value of the control parameter a c (N) is determined. We identify a crossover from linear to square root scaling with increasing distance from a c . The crossover point approaches a c in the limit N→∞ which reproduces previous results for infinite arrays. Our results are obtained in both the Fokker-Planck and the Langevin approach and are corroborated by numerical simulations. For a general class of models we show that the transition manifold in the parameter space depends on N and is determined by the scaling behaviour near a fixed point of the stochastic flow.

  9. Coupling a groundwater model with a land surface model to improve water and energy cycle simulation

    Directory of Open Access Journals (Sweden)

    W. Tian

    2012-12-01

    Full Text Available Water and energy cycles interact, making these two processes closely related. Land surface models (LSMs can describe the water and energy cycles on the land surface, but their description of the subsurface water processes is oversimplified, and lateral groundwater flow is ignored. Groundwater models (GWMs describe the dynamic movement of the subsurface water well, but they cannot depict the physical mechanisms of the evapotranspiration (ET process in detail. In this study, a coupled model of groundwater flow with a simple biosphere (GWSiB is developed based on the full coupling of a typical land surface model (SiB2 and a 3-D variably saturated groundwater model (AquiferFlow. In this coupled model, the infiltration, ET and energy transfer are simulated by SiB2 using the soil moisture results from the groundwater flow model. The infiltration and ET results are applied iteratively to drive the groundwater flow model. After the coupled model is built, a sensitivity test is first performed, and the effect of the groundwater depth and the hydraulic conductivity parameters on the ET are analyzed. The coupled model is then validated using measurements from two stations located in shallow and deep groundwater depth zones. Finally, the coupled model is applied to data from the middle reach of the Heihe River basin in the northwest of China to test the regional simulation capabilities of the model.

  10. Dual states estimation of a subsurface flow-transport coupled model using ensemble Kalman filtering

    KAUST Repository

    El Gharamti, Mohamad; Hoteit, Ibrahim; Valstar, Johan R.

    2013-01-01

    Modeling the spread of subsurface contaminants requires coupling a groundwater flow model with a contaminant transport model. Such coupling may provide accurate estimates of future subsurface hydrologic states if essential flow and contaminant data

  11. Drift-Scale Coupled Processes (DST and THC Seepage) Models

    Energy Technology Data Exchange (ETDEWEB)

    E. Gonnenthal; N. Spyoher

    2001-02-05

    The purpose of this Analysis/Model Report (AMR) is to document the Near-Field Environment (NFE) and Unsaturated Zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrologic-chemical (THC) processes on unsaturated zone flow and transport. This is in accordance with the ''Technical Work Plan (TWP) for Unsaturated Zone Flow and Transport Process Model Report'', Addendum D, Attachment D-4 (Civilian Radioactive Waste Management System (CRWMS) Management and Operating Contractor (M and O) 2000 [153447]) and ''Technical Work Plan for Nearfield Environment Thermal Analyses and Testing'' (CRWMS M and O 2000 [153309]). These models include the Drift Scale Test (DST) THC Model and several THC seepage models. These models provide the framework to evaluate THC coupled processes at the drift scale, predict flow and transport behavior for specified thermal loading conditions, and predict the chemistry of waters and gases entering potential waste-emplacement drifts. The intended use of this AMR is to provide input for the following: (1) Performance Assessment (PA); (2) Abstraction of Drift-Scale Coupled Processes AMR (ANL-NBS-HS-000029); (3) UZ Flow and Transport Process Model Report (PMR); and (4) Near-Field Environment (NFE) PMR. The work scope for this activity is presented in the TWPs cited above, and summarized as follows: continue development of the repository drift-scale THC seepage model used in support of the TSPA in-drift geochemical model; incorporate heterogeneous fracture property realizations; study sensitivity of results to changes in input data and mineral assemblage; validate the DST model by comparison with field data; perform simulations to predict mineral dissolution and precipitation and their effects on fracture properties and chemistry of water (but not flow rates) that may seep into drifts; submit modeling results to the TDMS and document the models. The model development, input data

  12. A tree-parenchyma coupled model for lung ventilation simulation.

    Science.gov (United States)

    Pozin, Nicolas; Montesantos, Spyridon; Katz, Ira; Pichelin, Marine; Vignon-Clementel, Irene; Grandmont, Céline

    2017-11-01

    In this article, we develop a lung ventilation model. The parenchyma is described as an elastic homogenized media. It is irrigated by a space-filling dyadic resistive pipe network, which represents the tracheobronchial tree. In this model, the tree and the parenchyma are strongly coupled. The tree induces an extra viscous term in the system constitutive relation, which leads, in the finite element framework, to a full matrix. We consider an efficient algorithm that takes advantage of the tree structure to enable a fast matrix-vector product computation. This framework can be used to model both free and mechanically induced respiration, in health and disease. Patient-specific lung geometries acquired from computed tomography scans are considered. Realistic Dirichlet boundary conditions can be deduced from surface registration on computed tomography images. The model is compared to a more classical exit compartment approach. Results illustrate the coupling between the tree and the parenchyma, at global and regional levels, and how conditions for the purely 0D model can be inferred. Different types of boundary conditions are tested, including a nonlinear Robin model of the surrounding lung structures. Copyright © 2017 John Wiley & Sons, Ltd.

  13. DECOVALEX I - Test Case 1: Coupled stress-flow model

    International Nuclear Information System (INIS)

    Rosengren, L.; Christianson, M.

    1995-12-01

    This report presents the results of the coupled stress-flow model, test case 1 of Decovalex. The model simulates the fourth loading cycle of a coupled stress-flow test and subsequent shearing up to and beyond peak shear resistance. The first loading sequence (A) consists of seven normal loading steps: 0, 5, 15, 25, 15, 5, 0 MPa. The second loading sequence (B) consists of the following eight steps: unstressed state, normal boundary loading of 25 MPa (no shearing), and then shearing of 0.5, 0.8, 2, 4, 2, 0 mm. Two different options regarding the rock joint behaviour were modeled in accordance with the problem definition. In option 1 a linear elastic joint model with Coulomb slip criterion was used. In option 2 a non-linear empirical (i.e. Barton-Bandis) joint model was used. The hydraulic condition during both load sequence A and B was a constant head of 5 m at the inlet point and 0 m at the outlet point. All model runs presented in this report were performed using the two-dimensional distinct element computer code UDEC, version 1.8. 30 refs, 36 figs

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

    Science.gov (United States)

    Pishtshev, A.; Rubin, P.

    2018-04-01

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

  15. Model of Coupled Drives Apparatus – Static and Dynamic Characteristics

    Directory of Open Access Journals (Sweden)

    Chalupa Petr

    2016-01-01

    Full Text Available The paper presents an initial part of a modelling the Coupled Drives Apparatus CE108 developed by TecQuipment Ltd. The final model should be used in the process of control design for the apparatus. The model derived by the developers of the apparatus using first-principle modelling is used as a starting point for comparison of its properties with measured characteristics. The static and dynamic characteristics of the real-time apparatus are presented and discussed. Special attention is paid to principal differences between the model and the real-time apparatus. Real-time measurements are obtained using MATLAB / Simulink environment in connection with a Real-time Toolbox. Evaluation of the experiments is also performed in the MATLAB environment

  16. Superheavy Nuclei in the Quark-Meson-Coupling Model

    Directory of Open Access Journals (Sweden)

    Stone Jirina

    2017-01-01

    Full Text Available We present a selection of the first results obtained in a comprehensive calculation of ground state properties of even-even superheavy nuclei in the region of 96 < Z < 136 and 118 < N < 320 from the Quark-Meson-Coupling model (QMC. Ground state binding energies, the neutron and proton number dependence of quadrupole deformations and Qα values are reported for even-even nuclei with 100 < Z < 136 and compared with available experimental data and predictions of macro-microscopic models. Predictions of properties of nuclei, including Qα values, relevant for planning future experiments are presented.

  17. A variational formulation for linear models in coupled dynamic thermoelasticity

    International Nuclear Information System (INIS)

    Feijoo, R.A.; Moura, C.A. de.

    1981-07-01

    A variational formulation for linear models in coupled dynamic thermoelasticity which quite naturally motivates the design of a numerical scheme for the problem, is studied. When linked to regularization or penalization techniques, this algorithm may be applied to more general models, namely, the ones that consider non-linear constraints associated to variational inequalities. The basic postulates of Mechanics and Thermodynamics as well as some well-known mathematical techniques are described. A thorough description of the algorithm implementation with the finite-element method is also provided. Proofs for existence and uniqueness of solutions and for convergence of the approximations are presented, and some numerical results are exhibited. (Author) [pt

  18. Data assimilation in atmospheric chemistry models: current status and future prospects for coupled chemistry meteorology models

    OpenAIRE

    M. Bocquet; H. Elbern; H. Eskes; M. Hirtl; R. Žabkar; G. R. Carmichael; J. Flemming; A. Inness; M. Pagowski; J. L. Pérez Camaño; P. E. Saide; R. San Jose; M. Sofiev; J. Vira; A. Baklanov

    2015-01-01

    Data assimilation is used in atmospheric chemistry models to improve air quality forecasts, construct re-analyses of three-dimensional chemical (including aerosol) concentrations and perform inverse modeling of input variables or model parameters (e.g., emissions). Coupled chemistry meteorology models (CCMM) are atmospheric chemistry models that simulate meteorological processes and chemical transformations jointly. They offer the possibility to assimilate both meteorologica...

  19. A Coupled model for ERT monitoring of contaminated sites

    Science.gov (United States)

    Wang, Yuling; Zhang, Bo; Gong, Shulan; Xu, Ya

    2018-02-01

    The performance of electrical resistivity tomography (ERT) system is usually investigated using a fixed resistivity distribution model in numerical simulation study. In this paper, a method to construct a time-varying resistivity model by coupling water transport, solute transport and constant current field is proposed for ERT monitoring of contaminated sites. Using the proposed method, a monitoring model is constructed for a contaminated site with a pollution region on the surface and ERT monitoring results at different time is calculated by the finite element method. The results show that ERT monitoring profiles can effectively reflect the increase of the pollution area caused by the diffusion of pollutants, but the extent of the pollution is not exactly the same as the actual situation. The model can be extended to any other case and can be used to scheme design and results analysis for ERT monitoring.

  20. Orbifolds and Exact Solutions of Strongly-Coupled Matrix Models

    Science.gov (United States)

    Córdova, Clay; Heidenreich, Ben; Popolitov, Alexandr; Shakirov, Shamil

    2018-02-01

    We find an exact solution to strongly-coupled matrix models with a single-trace monomial potential. Our solution yields closed form expressions for the partition function as well as averages of Schur functions. The results are fully factorized into a product of terms linear in the rank of the matrix and the parameters of the model. We extend our formulas to include both logarithmic and finite-difference deformations, thereby generalizing the celebrated Selberg and Kadell integrals. We conjecture a formula for correlators of two Schur functions in these models, and explain how our results follow from a general orbifold-like procedure that can be applied to any one-matrix model with a single-trace potential.

  1. Exactly soluble two-state quantum models with linear couplings

    International Nuclear Information System (INIS)

    Torosov, B T; Vitanov, N V

    2008-01-01

    A class of exact analytic solutions of the time-dependent Schroedinger equation is presented for a two-state quantum system coherently driven by a nonresonant external field. The coupling is a linear function of time with a finite duration and the detuning is constant. Four special models are considered in detail, namely the shark, double-shark, tent and zigzag models. The exact solution is derived by rotation of the Landau-Zener propagator at an angle of π/4 and is expressed in terms of Weber's parabolic cylinder function. Approximations for the transition probabilities are derived for all four models by using the asymptotics of the Weber function; these approximations demonstrate various effects of physical interest for each model

  2. The Madden-Julian Oscillation in NCEP Coupled Model Simulation

    Directory of Open Access Journals (Sweden)

    Wanqiu Wang Kyong-Hwan Seo

    2009-01-01

    Full Text Available This study documents a detailed analysis on the Madden-Julian Oscillation (MJO simulated by the National Centers for Environmental Prediction (NCEP using the Global Forecast System (GFS model version 2003 coupled with the Climate Forecast System model (CFS consisting of the 2003 version of GFS and the Geophysical Fluid Dynamics Laboratory (GFDL Modular Ocean Model V.3 (MOM3. The analyses are based upon a 21-year simulation of AMIP-type with GFS and CMIP-type with CFS. It is found that air-sea coupling in CFS is shown to improve the coherence between convection and large-scale circulation associated with the MJO. The too fast propagation of convection from the Indian Ocean to the maritime continents and the western Pacific in GFS is improved (slowed down in CFS. Both GFS and CFS produce too strong intraseasonal convective heating and circulation anomalies in the central-eastern Pacific; further, the air-sea coupling in CFS enhances this unrealistic feature. The simulated mean slow phase speed of east ward propagating low-wavenumber components shown in the wavenumber-frequency spectra is due to the slow propagation in the central-eastern Pacific in both GFS and CFS. Errors in model climatology may have some effect upon the simulated MJO and two possible influences are: (i CFS fails to simulate the westerlies over maritime continents and western Pacific areas, resulting in an unrealistic representation of surface latent heat flux associated with the MJO; and (ii vertical easterly wind shear from the Indian Ocean to the western Pacific in CFS is much weaker than that in the observation and in GFS, which may adversely affect the eastward propagation of the simulated MJO.

  3. Meson and baryon families as vibronic states in sl(2) quantum universal enveloping algebra

    International Nuclear Information System (INIS)

    Iwao, Syurei; Ono, Yasuji

    1990-01-01

    A mass formula of the q-deformed modified harmonic oscillator type in the sl(2) quantum universal enveloping algebra is proposed for the meson and baryon families, by taking into account the known theories as a guide. Specifying the vibronic quantum number, the deformation parameter and associated ones of the theory are determined from available data for the scalar, pseudoscalar, vector meson and baryon families. The parameters determined from totally ten families not only predict many unobserved states, but also give restrictions on the observable number of states. The method may admit taking into account non-perturbative effects. (author)

  4. Interchain coupling and 3D modeling of trans-polyacetylene

    International Nuclear Information System (INIS)

    Bronold, F.; Saxena, A.; Bishop, A.R.

    1992-01-01

    In spite of the success of the SSH model for trans-polyacetylene in interpreting many experimental results (e.g. optical and magnetic properties) there remain some aspects of the real material which are outside the scope of the simple 1D model. Especially ordering phenomena of doped and undoped trans-polyacetylene as well as transport properties (e.g. electronic and thermal conductivity) are beyond a 1D description. There are many attempts to construct a transport theory for this novel class of materials using solitons or polaxons as the basic ingredients. But so far it is not yet clear whether these typical 1D excitations still exist in crystalline transpolyacetylene. Therefore, to clarify the role which intrinsic self-localized nonlinear excitations characteristic of 1D models play in the bulk (3D) material, we study the stability of a polaronic excitation against interchain coupling. As a preliminary step we consider first two coupled t-(CH) x -chains where the π-electrons are allowed to hop from one chain to the other. Then we introduce a 3D generalization of the SSH model and study a polaron in a 3D crystalline environment

  5. WRF-Fire: coupled weather-wildland fire modeling with the weather research and forecasting model

    Science.gov (United States)

    Janice L. Coen; Marques Cameron; John Michalakes; Edward G. Patton; Philip J. Riggan; Kara M. Yedinak

    2012-01-01

    A wildland fire behavior module (WRF-Fire) was integrated into the Weather Research and Forecasting (WRF) public domain numerical weather prediction model. The fire module is a surface fire behavior model that is two-way coupled with the atmospheric model. Near-surface winds from the atmospheric model are interpolated to a finer fire grid and used, with fuel properties...

  6. Biomass assimilation in coupled ecohydrodynamical model of the Mediterranean Sea

    Science.gov (United States)

    Crispi, G.; Bournaski, E.; Crise, A.

    2003-04-01

    Data assimilation has raised new interest in the last years in the context of the environmental sciences. The swift increment of the attention paid to it in oceanography is due to the coming age of operational services for the marine environment which is going to dramatically increase the demand for accurate, timely and reliable estimates of the space and time distribution both for physical and in a near future for biogeochemical fields. Data assimilation combines information derived from measurements with knowledge of the rules that govern the evolution of the system of interest through formalization and implementation in numerical models. The importance of ocean data assimilation has been recognized by several international programmes as JGOFS, GOOS and CLIVAR. This work presents an eco-hydrodynamic model of the Mediterranean Sea developed at the Istituto Nazionale di Oceanografia e di Geofisica Sperimentale - OGS, Trieste, Italy. It includes 3-D MOM-based hydrodynamics of the Mediterranean Sea, coupled with biochemical model of Nitrogen, Phytoplankton, Zooplankton, and Detritus (NPZD). Monthly mean wind forcings are adopted to force this MOM-NPZD model. For better prediction and analysis of N, P, Z and D distributions in the sea the model needs data assimilation from biomass observations on the sea surface. Chosen approach for evaluating performances of data assimilation techniques in coupled model is the definition of a twin experiment testbed where a reference run is carried out assuming its result as the truth. We define a sampling strategy to obtain different datasets to be incorporated in another ecological model in successive runs in order to appraise the potential of the data assimilation and sampling strategy. The runs carried out with different techniques and different spatio-temporal coverages are compared in order to evaluate the sensitivity to different coverage of dataset. The discussed alternative way is to assume the ecosystem at steady state and

  7. Gauge coupling unification in realistic free-fermionic string models

    International Nuclear Information System (INIS)

    Dienes, K.R.; Faraggi, A.E.

    1995-01-01

    We discuss the unification of gauge couplings within the framework of a wide class of realistic free-fermionic string models which have appeared in the literature, including the flipped SU(5), SO(6)xSO(4), and various SU(3)xSU(2)xU(1) models. If the matter spectrum below the string scale is that of the Minimal Supersymmetric Standard Model (MSSM), then string unification is in disagreement with experiment. We therefore examine several effects that may modify the minimal string predictions. First, we develop a systematic procedure for evaluating the one-loop heavy string threshold corrections in free-fermionic string models, and we explicitly evaluate these corrections for each of the realistic models. We find that these string threshold corrections are small, and we provide general arguments explaining why such threshold corrections are suppressed in string theory. Thus heavy thresholds cannot resolve the disagreement with experiment. We also study the effect of non-standard hypercharge normalizations, light SUSY thresholds, and intermediate-scale gauge structure, and similarly conclude that these effects cannot resolve the disagreement with low-energy data. Finally, we examine the effects of additional color triplets and electroweak doublets beyond the MSSM. Although not required in ordinary grand unification scenarios, such states generically appear within the context of certain realistic free-fermionic string models. We show that if these states exist at the appropriate thresholds, then the gauge couplings will indeed unify at the string scale. Thus, within these string models, string unification can be in agreement with low-energy data. (orig.)

  8. 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.

  9. New limits on coupled dark energy model after Planck 2015

    Science.gov (United States)

    Li, Hang; Yang, Weiqiang; Wu, Yabo; Jiang, Ying

    2018-06-01

    We used the Planck 2015 cosmic microwave background anisotropy, baryon acoustic oscillation, type-Ia supernovae, redshift-space distortions, and weak gravitational lensing to test the model parameter space of coupled dark energy. We assumed the constant and time-varying equation of state parameter for dark energy, and treated dark matter and dark energy as the fluids whose energy transfer was proportional to the combined term of the energy densities and equation of state, such as Q = 3 Hξ(1 +wx) ρx and Q = 3 Hξ [ 1 +w0 +w1(1 - a) ] ρx, the full space of equation of state could be measured when we considered the term (1 +wx) in the energy exchange. According to the joint observational constraint, the results showed that wx = - 1.006-0.027+0.047 and ξ = 0.098-0.098>+0.026 for coupled dark energy with a constant equation of state, w0 = -1.076-0.076+0.085, w1 = - 0.069-0.319+0.361, and ξ = 0.210-0.210+0.048 for a variable equation of state. We did not get any clear evidence for the coupling in the dark fluids at 1 σ region.

  10. Extended Neural Metastability in an Embodied Model of Sensorimotor Coupling

    Directory of Open Access Journals (Sweden)

    Miguel Aguilera

    2016-09-01

    Full Text Available The hypothesis that brain organization is based on mechanisms of metastable synchronization in neural assemblies has been popularized during the last decades of neuroscientific research. Nevertheless, the role of body and environment for understanding the functioning of metastable assemblies is frequently dismissed. The main goal of this paper is to investigate the contribution of sensorimotor coupling to neural and behavioural metastability using a minimal computational model of plastic neural ensembles embedded in a robotic agent in a behavioural preference task. Our hypothesis is that, under some conditions, the metastability of the system is not restricted to the brain but extends to the system composed by the interaction of brain, body and environment. We test this idea, comparing an agent in continuous interaction with its environment in a task demanding behavioural flexibility with an equivalent model from the point of view of 'internalist neuroscience'. A statistical characterization of our model and tools from information theory allows us to show how (1 the bidirectional coupling between agent and environment brings the system closer to a regime of criticality and triggers the emergence of additional metastable states which are not found in the brain in isolation but extended to the whole system of sensorimotor interaction, (2 the synaptic plasticity of the agent is fundamental to sustain open structures in the neural controller of the agent flexibly engaging and disengaging different behavioural patterns that sustain sensorimotor metastable states, and (3 these extended metastable states emerge when the agent generates an asymmetrical circular loop of causal interaction with its environment, in which the agent responds to variability of the environment at fast timescales while acting over the environment at slow timescales, suggesting the constitution of the agent as an autonomous entity actively modulating its sensorimotor coupling

  11. Extended Neural Metastability in an Embodied Model of Sensorimotor Coupling.

    Science.gov (United States)

    Aguilera, Miguel; Bedia, Manuel G; Barandiaran, Xabier E

    2016-01-01

    The hypothesis that brain organization is based on mechanisms of metastable synchronization in neural assemblies has been popularized during the last decades of neuroscientific research. Nevertheless, the role of body and environment for understanding the functioning of metastable assemblies is frequently dismissed. The main goal of this paper is to investigate the contribution of sensorimotor coupling to neural and behavioral metastability using a minimal computational model of plastic neural ensembles embedded in a robotic agent in a behavioral preference task. Our hypothesis is that, under some conditions, the metastability of the system is not restricted to the brain but extends to the system composed by the interaction of brain, body and environment. We test this idea, comparing an agent in continuous interaction with its environment in a task demanding behavioral flexibility with an equivalent model from the point of view of "internalist neuroscience." A statistical characterization of our model and tools from information theory allow us to show how (1) the bidirectional coupling between agent and environment brings the system closer to a regime of criticality and triggers the emergence of additional metastable states which are not found in the brain in isolation but extended to the whole system of sensorimotor interaction, (2) the synaptic plasticity of the agent is fundamental to sustain open structures in the neural controller of the agent flexibly engaging and disengaging different behavioral patterns that sustain sensorimotor metastable states, and (3) these extended metastable states emerge when the agent generates an asymmetrical circular loop of causal interaction with its environment, in which the agent responds to variability of the environment at fast timescales while acting over the environment at slow timescales, suggesting the constitution of the agent as an autonomous entity actively modulating its sensorimotor coupling with the world. We

  12. Modelling of strongly coupled particle growth and aggregation

    International Nuclear Information System (INIS)

    Gruy, F; Touboul, E

    2013-01-01

    The mathematical modelling of the dynamics of particle suspension is based on the population balance equation (PBE). PBE is an integro-differential equation for the population density that is a function of time t, space coordinates and internal parameters. Usually, the particle is characterized by a unique parameter, e.g. the matter volume v. PBE consists of several terms: for instance, the growth rate and the aggregation rate. So, the growth rate is a function of v and t. In classical modelling, the growth and the aggregation are independently considered, i.e. they are not coupled. However, current applications occur where the growth and the aggregation are coupled, i.e. the change of the particle volume with time is depending on its initial value v 0 , that in turn is related to an aggregation event. As a consequence, the dynamics of the suspension does not obey the classical Von Smoluchowski equation. This paper revisits this problem by proposing a new modelling by using a bivariate PBE (with two internal variables: v and v 0 ) and by solving the PBE by means of a numerical method and Monte Carlo simulations. This is applied to a physicochemical system with a simple growth law and a constant aggregation kernel.

  13. Modified quark-meson coupling model for nuclear matter

    International Nuclear Information System (INIS)

    Jin, X.; Jennings, B.K.

    1996-01-01

    The quark-meson coupling model for nuclear matter, which describes nuclear matter as nonoverlapping MIT bags bound by the self-consistent exchange of scalar and vector mesons, is modified by introducing medium modification of the bag constant. We model the density dependence of the bag constant in two different ways: One invokes a direct coupling of the bag constant to the scalar meson field, and the other relates the bag constant to the in-medium nucleon mass. Both models feature a decreasing bag constant with increasing density. We find that when the bag constant is significantly reduced in nuclear medium with respect to its free-space value, large canceling isoscalar Lorentz scalar and vector potentials for the nucleon in nuclear matter emerge naturally. Such potentials are comparable to those suggested by relativistic nuclear phenomenology and finite-density QCD sum rules. This suggests that the reduction of bag constant in nuclear medium may play an important role in low- and medium-energy nuclear physics. copyright 1996 The American Physical Society

  14. Cellular automaton model of coupled mass transport and chemical reactions

    International Nuclear Information System (INIS)

    Karapiperis, T.

    1994-01-01

    Mass transport, coupled with chemical reactions, is modelled as a cellular automaton in which solute molecules perform a random walk on a lattice and react according to a local probabilistic rule. Assuming molecular chaos and a smooth density function, we obtain the standard reaction-transport equations in the continuum limit. The model is applied to the reactions a + b ↔c and a + b →c, where we observe interesting macroscopic effects resulting from microscopic fluctuations and spatial correlations between molecules. We also simulate autocatalytic reaction schemes displaying spontaneous formation of spatial concentration patterns. Finally, we propose and discuss the limitations of a simple model for mineral-solute interaction. (author) 5 figs., 20 refs

  15. Model of coupling with core in the Green function method

    International Nuclear Information System (INIS)

    Kamerdzhiev, S.P.; Tselyaev, V.I.

    1983-01-01

    Models of coupling with core in the method of the Green functions, presenting generalization of conventional method of chaotic phases, i.e. account of configurations of more complex than monoparticle-monohole (1p1h) configurations, have been considered. Odd nuclei are studied only to the extent when the task of odd nucleus is solved for even-even nucleus. Microscopic model of the account of delay effects in mass operator M=M(epsilon), which corresponds to the account of the effects influence only on the change of quasiparticle behaviour in magic nucleus as compared with their behaviour, described by pure model of cores, has been considered. The change results in fragmentation of monoparticle levels, which is the main effect, and in the necessity to use new basis as compared with the shell one, corresponding to inoculative quasiparticles. When formulas have been devived concrete type of mass operator M(epsilon) is not used

  16. Broken Weyl symmetry. [Gauge model, coupling, Higgs field

    Energy Technology Data Exchange (ETDEWEB)

    Domokos, G.

    1976-05-01

    It is argued that conformal symmetry can be properly understood in the framework of field theories in curved space. In such theories, invariance is required under general coordinate transformations and conformal rescalings. A gauge model coupled to a Higgs field is examined. In the tree approximation, the vacuum solution exhibits two Higgs phenomena; both the phase (Goldstone boson) and the coordinate dependent part of the radial component of the scalar field can be removed by a Higgs-Kibble transformation. The resulting vacuum solution corresponds to a space of constant curvature and constant vacuum expectation value of the scalar field.

  17. A coupled chemotaxis-fluid model: Global existence

    KAUST Repository

    Liu, Jian-Guo; Lorz, Alexander

    2011-01-01

    We consider a model arising from biology, consisting of chemotaxis equations coupled to viscous incompressible fluid equations through transport and external forcing. Global existence of solutions to the Cauchy problem is investigated under certain conditions. Precisely, for the chemotaxis-Navier- Stokes system in two space dimensions, we obtain global existence for large data. In three space dimensions, we prove global existence of weak solutions for the chemotaxis-Stokes system with nonlinear diffusion for the cell density.© 2011 Elsevier Masson SAS. All rights reserved.

  18. One-loop Yukawa Couplings in Local Models

    CERN Document Server

    Conlon, Joseph P; Palti, Eran; 10.1007

    2010-01-01

    We calculate the one-loop Yukawa couplings and threshold corrections for supersymmetric local models of branes at singularities in type IIB string theory. We compute the corrections coming both from wavefunction and vertex renormalisation. The former comes in the IR from conventional field theory running and in the UV from threshold corrections that cause it to run from the winding scale associated to the full Calabi-Yau volume. The vertex correction is naively absent as it appears to correspond to superpotential renormalisation. However, we find that while the Wilsonian superpotential is not renormalised there is a physical vertex correction in the 1PI action associated to light particle loops.

  19. One-loop Yukawa couplings in local models

    Energy Technology Data Exchange (ETDEWEB)

    Conlon, Joseph P. [Rudolf Peierls Center for Theoretical Physics, Oxford (United Kingdom); Balliol College, Oxford (United Kingdom); Goodsell, Mark [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Palti, Eran [Centre de Physique Theorique, Ecole Polytechnique, CNRS, Palaiseau (France)

    2010-07-15

    We calculate the one-loop Yukawa couplings and threshold corrections for supersymmetric local models of branes at singularities in type IIB string theory. We compute the corrections coming both from wavefunction and vertex renormalisation. The former comes in the IR from conventional field theory running and in the UV from threshold corrections that cause it to run from the winding scale associated to the full Calabi-Yau volume. The vertex correction is naively absent as it appears to correspond to superpotential renormalisation. However, we find that while the Wilsonian superpotential is not renormalised there is a physical vertex correction in the 1PI action associated to light particle loops. (orig.)

  20. Coupled atmosphere-ocean models of Titan's past

    Science.gov (United States)

    Mckay, Christopher P.; Pollack, James B.; Lunine, Jonathan I.; Courtin, Regis

    1993-01-01

    The behavior and possible past evolution of fully coupled atmosphere and ocean model of Titan are investigated. It is found that Titan's surface temperature was about 20 K cooler at 4 Gyr ago and will be about 5 K warmer 0.5 Gyr in the future. The change in solar luminosity and the conversion of oceanic CH4 to C2H6 drive the evolution of the ocean and atmosphere over time. Titan appears to have experienced a frozen epoch about 3 Gyr ago independent of whether an ocean is present or not. This finding may have important implications for understanding the inventory of Titan's volatile compounds.

  1. One-loop Yukawa couplings in local models

    International Nuclear Information System (INIS)

    Conlon, Joseph P.; Goodsell, Mark; Palti, Eran

    2010-07-01

    We calculate the one-loop Yukawa couplings and threshold corrections for supersymmetric local models of branes at singularities in type IIB string theory. We compute the corrections coming both from wavefunction and vertex renormalisation. The former comes in the IR from conventional field theory running and in the UV from threshold corrections that cause it to run from the winding scale associated to the full Calabi-Yau volume. The vertex correction is naively absent as it appears to correspond to superpotential renormalisation. However, we find that while the Wilsonian superpotential is not renormalised there is a physical vertex correction in the 1PI action associated to light particle loops. (orig.)

  2. A coupled chemotaxis-fluid model: Global existence

    KAUST Repository

    Liu, Jian-Guo

    2011-09-01

    We consider a model arising from biology, consisting of chemotaxis equations coupled to viscous incompressible fluid equations through transport and external forcing. Global existence of solutions to the Cauchy problem is investigated under certain conditions. Precisely, for the chemotaxis-Navier- Stokes system in two space dimensions, we obtain global existence for large data. In three space dimensions, we prove global existence of weak solutions for the chemotaxis-Stokes system with nonlinear diffusion for the cell density.© 2011 Elsevier Masson SAS. All rights reserved.

  3. Ocean-atmosphere coupled climate model development at SAWS: description and diagnosis

    CSIR Research Space (South Africa)

    Beraki, A

    2011-09-01

    Full Text Available This paper introduces the South African Weather Service's coupled ocean-atmosphere model. The paper also demonstrates the advances made in configuring an operational coupled ocean-atmosphere model in South Africa for seasonal forecast production...

  4. Coupled incompressible Smoothed Particle Hydrodynamics model for continuum-based modelling sediment transport

    Science.gov (United States)

    Pahar, Gourabananda; Dhar, Anirban

    2017-04-01

    A coupled solenoidal Incompressible Smoothed Particle Hydrodynamics (ISPH) model is presented for simulation of sediment displacement in erodible bed. The coupled framework consists of two separate incompressible modules: (a) granular module, (b) fluid module. The granular module considers a friction based rheology model to calculate deviatoric stress components from pressure. The module is validated for Bagnold flow profile and two standardized test cases of sediment avalanching. The fluid module resolves fluid flow inside and outside porous domain. An interaction force pair containing fluid pressure, viscous term and drag force acts as a bridge between two different flow modules. The coupled model is validated against three dambreak flow cases with different initial conditions of movable bed. The simulated results are in good agreement with experimental data. A demonstrative case considering effect of granular column failure under full/partial submergence highlights the capability of the coupled model for application in generalized scenario.

  5. Strength of the trilinear Higgs boson coupling in technicolor models

    International Nuclear Information System (INIS)

    Doff, A.; Natale, A.A.

    2006-01-01

    In the standard model of elementary particles the fermion and gauge boson masses are generated due to the interaction of these particles with elementary Higgs scalar bosons. Despite its success there are some points in the model as, for instance, the enormous range of masses between the lightest and heaviest fermions and other peculiarities that could be better explained at a deeper level. The nature of the Higgs boson is one of the most important problems in particle physics, and there are many questions that may be answered in the near future by LHC experiments, such as: Is the Higgs boson, if it exists at all, elementary or composite? What are the symmetries behind the Higgs mechanism? There are many variants for the Higgs mechanism. Our interest in this work will be focused in the models of electroweak symmetry breaking via strongly interacting theories of technicolor (TC) type. In these theories the Higgs boson is a composite of the so called technifermions, and at some extent any model where the Higgs boson is not an elementary field follows more or less the same ideas of the technicolor models. In extensions of the standard model the scalar self-couplings can be enhanced, like in the supersymmetric version. If the same happens in models of dynamical symmetry breaking, as far as we know, has not been investigated up to now, and this study is the motivation of our work. Although technicolor is a non-Abelian gauge theory it is not necessarily similar to QCD, and most of the work in this area try to find the TC dynamics dealing with the particle content of the theory in order to obtain a technifermion self-energy that does not lead to phenomenological problems as in the scheme known as walking technicolor. In this work we will consider a very general Ansatz for the technifermion self-energy, which is an essential ingredient to compute the scalar self-couplings. This Ansatz interpolates between all known forms of technifermionic self-energy. As we vary some

  6. A modeling strategy for G-protein coupled receptors

    Directory of Open Access Journals (Sweden)

    Anna Kahler

    2016-03-01

    Full Text Available Cell responses can be triggered via G-protein coupled receptors (GPCRs that interact with small molecules, peptides or proteins and transmit the signal over the membrane via structural changes to activate intracellular pathways. GPCRs are characterized by a rather low sequence similarity and exhibit structural differences even for functionally closely related GPCRs. An accurate structure prediction for GPCRs is therefore not straightforward. We propose a computational approach that relies on the generation of several independent models based on different template structures, which are subsequently refined by molecular dynamics simulations. A comparison of their conformational stability and the agreement with GPCR-typical structural features is then used to select a favorable model. This strategy was applied to predict the structure of the herpesviral chemokine receptor US28 by generating three independent models based on the known structures of the chemokine receptors CXCR1, CXCR4, and CCR5. Model refinement and evaluation suggested that the model based on CCR5 exhibits the most favorable structural properties. In particular, the GPCR-typical structural features, such as a conserved water cluster or conserved non-covalent contacts, are present to a larger extent in the model based on CCR5 compared to the other models. A final model validation based on the recently published US28 crystal structure confirms that the CCR5-based model is the most accurate and exhibits 80.8% correctly modeled residues within the transmembrane helices. The structural agreement between the selected model and the crystal structure suggests that our modeling strategy may also be more generally applicable to other GPCRs of unknown structure.

  7. Coupled hydrologic and hydraulic modeling of Upper Niger River Basin

    Science.gov (United States)

    Fleischmann, Ayan; Siqueira, Vinícius; Paris, Adrien; Collischonn, Walter; Paiva, Rodrigo; Gossett, Marielle; Pontes, Paulo; Calmant, Stephane; Biancamaria, Sylvain; Crétaux, Jean-François; Tanimoune, Bachir

    2017-04-01

    The Upper Niger Basin is located in Western Africa, flowing from Guinea Highlands towards the Sahel region. In this area lies the seasonally inundated Niger Inland Delta, which supports important environmental services such as habitats for wildlife, climate and flood regulation, as well as large fishery and agricultural areas. In this study, we present the application of MGB-IPH large scale hydrologic and hydrodynamic model for the Upper Niger Basin, totaling c.a. 650,000 km2 and set up until the city of Niamey in Niger. The model couples hydrological vertical balance and runoff generation with hydrodynamic flood wave propagation, by allowing infiltration from floodplains into soil column as well as representing backwater effects and floodplain storage throughout flat areas such as the Inland Delta. The model is forced with TRMM 3B42 daily precipitation and Climate Research Unit (CRU) climatology for the period 2000-2010, and was calibrated against in-situ discharge gauges and validated with in-situ water level, remotely sensed estimations of flooded areas (classification of MODIS imagery) and satellite altimetry (JASON-2 mission). Model results show good predictions for calibrated daily discharge and validated water level and altimetry at stations both upstream and downstream of the delta (Nash-Sutcliffe Efficiency>0.7 for all stations), as well as for flooded areas within the delta region (ENS=0.5; r2=0.8), allowing a good representation of flooding dynamics basinwide and simulation of flooding behavior of both perennial (e.g., Niger main stem) and ephemeral rivers (e.g., Niger Red Flood tributaries in Sahel). Coupling between hydrology and hydrodynamic processes indicates an important feedback between floodplain and soil water storage that allows high evapotranspiration rates even after the flood passage around the inner delta area. Also, representation of water retention in floodplain channels and distributaries in the inner delta (e.g., Diaka river

  8. A model for simulation of coupled microstructural and compositional evolution

    International Nuclear Information System (INIS)

    Tikare, Veena; Homer, Eric R.; Holm, Elizabeth A.

    2011-01-01

    The formation, transport and segregation of components in nuclear fuels fundamentally control their behavior, performance, longevity and safety. Most nuclear fuels enter service with a uniform composition consisting of a single phase with two or three components. Fission products form, introducing more components. The segregation and transport of the components is complicated by the underlying microstructure consisting of grains, pores, bubbles and more, which is evolving under temperature gradients during service. As they evolve, components and microstructural features interact such that composition affects microstructure and vice versa. The ability to predict the interdependent compositional and microstructural evolution in 3D as a function of burn-up would greatly improve the ability to design safe, high burn-up nuclear fuels. We present a model that combines elements of Potts Monte Carlo, MC, and the phase-field model to treat coupled microstructural-compositional evolution. This hybrid model uses an equation of state, EOS, based on the microstructural state and the composition. The microstructural portion uses the traditional MC EOS and the compositional portion uses the phase-field EOS: E hyb = N Σ i=1 (E v (q i ,C)+1/2 n Σ j=1 J(q i ,q j )) + ∫κ c (∇C) 2 dV. E v is the bulk free energy of each site i and J is the bond energy between neighboring sites i and j; thus, this term defines the microstructural interfacial energy. The last term is the compositional interfacial energy as defined in the traditional phase-field model. Evolution of coupled microstructure-composition is simulated by minimizing free energy in a path dependent manner. This model will be presented and will be demonstrated by applying it to evolution of nuclear fuels during service. (author)

  9. Modeling Coupled Processes in Clay Formations for Radioactive Waste Disposal

    International Nuclear Information System (INIS)

    Liu, Hui-Hai; Rutqvist, Jonny; Zheng, Liange; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-01-01

    example, the excavation-damaged zone (EDZ) near repository tunnels can modify local permeability (resulting from induced fractures), potentially leading to less confinement capability (Tsang et al., 2005). Because of clay's swelling and shrinkage behavior (depending on whether the clay is in imbibition or drainage processes), fracture properties in the EDZ are quite dynamic and evolve over time as hydromechanical conditions change. To understand and model the coupled processes and their impact on repository performance is critical for the defensible performance assessment of a clay repository. Within the Natural Barrier System (NBS) group of the Used Fuel Disposition (UFD) Campaign at DOE's Office of Nuclear Energy, LBNL's research activities have focused on understanding and modeling such coupled processes. LBNL provided a report in this April on literature survey of studies on coupled processes in clay repositories and identification of technical issues and knowledge gaps (Tsang et al., 2010). This report will document other LBNL research activities within the natural system work package, including the development of constitutive relationships for elastic deformation of clay rock (Section 2), a THM modeling study (Section 3) and a THC modeling study (Section 4). The purpose of the THM and THC modeling studies is to demonstrate the current modeling capabilities in dealing with coupled processes in a potential clay repository. In Section 5, we discuss potential future R and D work based on the identified knowledge gaps. The linkage between these activities and related FEPs is presented in Section 6.

  10. Modeling Coupled Processes in Clay Formations for Radioactive Waste Disposal

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hui-Hai; Rutqvist, Jonny; Zheng, Liange; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    example, the excavation-damaged zone (EDZ) near repository tunnels can modify local permeability (resulting from induced fractures), potentially leading to less confinement capability (Tsang et al., 2005). Because of clay's swelling and shrinkage behavior (depending on whether the clay is in imbibition or drainage processes), fracture properties in the EDZ are quite dynamic and evolve over time as hydromechanical conditions change. To understand and model the coupled processes and their impact on repository performance is critical for the defensible performance assessment of a clay repository. Within the Natural Barrier System (NBS) group of the Used Fuel Disposition (UFD) Campaign at DOE's Office of Nuclear Energy, LBNL's research activities have focused on understanding and modeling such coupled processes. LBNL provided a report in this April on literature survey of studies on coupled processes in clay repositories and identification of technical issues and knowledge gaps (Tsang et al., 2010). This report will document other LBNL research activities within the natural system work package, including the development of constitutive relationships for elastic deformation of clay rock (Section 2), a THM modeling study (Section 3) and a THC modeling study (Section 4). The purpose of the THM and THC modeling studies is to demonstrate the current modeling capabilities in dealing with coupled processes in a potential clay repository. In Section 5, we discuss potential future R&D work based on the identified knowledge gaps. The linkage between these activities and related FEPs is presented in Section 6.

  11. Common problematic aspects of coupling hydrological models with groundwater flow models on the river catchment scale

    Directory of Open Access Journals (Sweden)

    R. Barthel

    2006-01-01

    Full Text Available Model coupling requires a thorough conceptualisation of the coupling strategy, including an exact definition of the individual model domains, the "transboundary" processes and the exchange parameters. It is shown here that in the case of coupling groundwater flow and hydrological models – in particular on the regional scale – it is very important to find a common definition and scale-appropriate process description of groundwater recharge and baseflow (or "groundwater runoff/discharge" in order to achieve a meaningful representation of the processes that link the unsaturated and saturated zones and the river network. As such, integration by means of coupling established disciplinary models is problematic given that in such models, processes are defined from a purpose-oriented, disciplinary perspective and are therefore not necessarily consistent with definitions of the same process in the model concepts of other disciplines. This article contains a general introduction to the requirements and challenges of model coupling in Integrated Water Resources Management including a definition of the most relevant technical terms, a short description of the commonly used approach of model coupling and finally a detailed consideration of the role of groundwater recharge and baseflow in coupling groundwater models with hydrological models. The conclusions summarize the most relevant problems rather than giving practical solutions. This paper aims to point out that working on a large scale in an integrated context requires rethinking traditional disciplinary workflows and encouraging communication between the different disciplines involved. It is worth noting that the aspects discussed here are mainly viewed from a groundwater perspective, which reflects the author's background.

  12. Modeling of price and profit in coupled-ring networks

    Science.gov (United States)

    Tangmongkollert, Kittiwat; Suwanna, Sujin

    2016-06-01

    We study the behaviors of magnetization, price, and profit profiles in ring networks in the presence of the external magnetic field. The Ising model is used to determine the state of each node, which is mapped to the buy-or-sell state in a financial market, where +1 is identified as the buying state, and -1 as the selling state. Price and profit mechanisms are modeled based on the assumption that price should increase if demand is larger than supply, and it should decrease otherwise. We find that the magnetization can be induced between two rings via coupling links, where the induced magnetization strength depends on the number of the coupling links. Consequently, the price behaves linearly with time, where its rate of change depends on the magnetization. The profit grows like a quadratic polynomial with coefficients dependent on the magnetization. If two rings have opposite direction of net spins, the price flows in the direction of the majority spins, and the network with the minority spins gets a loss in profit.

  13. A coupled mechanical/hydrologic model for WIPP shaft seals

    International Nuclear Information System (INIS)

    Ehgartner, B.

    1991-06-01

    Effective sealing of the Waste Isolation Pilot Plant (WIPP) shafts will be required to isolate defense-generated transuranic wastes from the accessible environment. Shafts penetrate water-bearing hard rock formations before entering a massive creeping-salt formation (Salado) where the WIPP is located. Short and long-term seals are planned for the shafts. Short-term seals, a composite of concrete and bentonite, will primarily be located in the hard rock formations separating the water-bearing zones from the Salado Formation. These seals will limit water flow to the underlying long-term seals in the Salado. The long-term seals will consist of lengthly segments of initially unsaturated crushed salt. Creep closure of the shaft will consolidate unsaturated crushed salt, thereby reducing its permeability. However, water passing through the upper short-term seals and brine inherent to the salt host rock itself will eventually saturate the crushed salt and consolidation could be inhibited. Before saturating, portions of the crushed salt in the shafts are expected to consolidate to a permeability equivalent to the salt host rock, thereby effectively isolating the waste from the overlying water-bearing formations. A phenomenological model is developed for the coupled mechanical/hydrologic behavior of sealed WIPP shafts. The model couples creep closure of the shaft, crushed salt consolidation, and the associated reduction in permeability with Darcy's law for saturated fluid flow to predict the overall permeability of the shaft seal system with time. 17 refs., 6 figs., 1 tab

  14. Diagnosis and Model Based Identification of a Coupling Misalignment

    Directory of Open Access Journals (Sweden)

    P. Pennacchi

    2005-01-01

    Full Text Available This paper is focused on the application of two different diagnostic techniques aimed to identify the most important faults in rotating machinery as well as on the simulation and prediction of the frequency response of rotating machines. The application of the two diagnostics techniques, the orbit shape analysis and the model based identification in the frequency domain, is described by means of an experimental case study that concerns a gas turbine-generator unit of a small power plant whose rotor-train was affected by an angular misalignment in a flexible coupling, caused by a wrong machine assembling. The fault type is identified by means of the orbit shape analysis, then the equivalent bending moments, which enable the shaft experimental vibrations to be simulated, have been identified using a model based identification method. These excitations have been used to predict the machine vibrations in a large rotating speed range inside which no monitoring data were available. To the best of the authors' knowledge, this is the first case of identification of coupling misalignment and prediction of the consequent machine behaviour in an actual size rotating machinery. The successful results obtained emphasise the usefulness of integrating common condition monitoring techniques with diagnostic strategies.

  15. Wealth distribution of simple exchange models coupled with extremal dynamics

    Science.gov (United States)

    Bagatella-Flores, N.; Rodríguez-Achach, M.; Coronel-Brizio, H. F.; Hernández-Montoya, A. R.

    2015-01-01

    Punctuated Equilibrium (PE) states that after long periods of evolutionary quiescence, species evolution can take place in short time intervals, where sudden differentiation makes new species emerge and some species extinct. In this paper, we introduce and study the effect of punctuated equilibrium on two different asset exchange models: the yard sale model (YS, winner gets a random fraction of a poorer player's wealth) and the theft and fraud model (TF, winner gets a random fraction of the loser's wealth). The resulting wealth distribution is characterized using the Gini index. In order to do this, we consider PE as a perturbation with probability ρ of being applied. We compare the resulting values of the Gini index at different increasing values of ρ in both models. We found that in the case of the TF model, the Gini index reduces as the perturbation ρ increases, not showing dependence with the agents number. While for YS we observe a phase transition which happens around ρc = 0.79. For perturbations ρ <ρc the Gini index reaches the value of one as time increases (an extreme wealth condensation state), whereas for perturbations greater than or equal to ρc the Gini index becomes different to one, avoiding the system reaches this extreme state. We show that both simple exchange models coupled with PE dynamics give more realistic results. In particular for YS, we observe a power low decay of wealth distribution.

  16. Thermodynamics of a model solid with magnetoelastic coupling

    Science.gov (United States)

    Szałowski, K.; Balcerzak, T.; Jaščur, M.

    2018-01-01

    In the paper a study of a model magnetoelastic solid system is presented. The system of interest is a mean-field magnet with nearest-neighbour ferromagnetic interactions and the underlying s.c. crystalline lattice with the long-range Morse interatomic potential and the anharmonic Debye model for the lattice vibrations. The influence of the external magnetic field on the thermodynamics is investigated, with special emphasis put on the consequences of the magnetoelastic coupling, introduced by the power-law distance dependence of the magnetic exchange integral. Within the fully self-consistent, Gibbs energy-based formalism such thermodynamic quantities as the entropy, the specific heat as well as the lattice and magnetic response functions are calculated and discussed. To complete the picture, the magnetocaloric effect is characterized by analysis of the isothermal entropy change and the adiabatic temperature change in the presence of the external pressure.

  17. Improved modelling of atmospheric ammonia over Denmark using the coupled modelling system DAMOS

    DEFF Research Database (Denmark)

    Geels, Camilla; Andersen, Helle Vibeke; Skjøth, Carsten Ambelas

    2012-01-01

    the period 2005-2009. A standard time series analysis (using statistic parameters like correlation and bias) shows that the coupled model system captures the measured time series better than the regional- scale model alone. However, our study also shows that about 50% of the modelled concentration level...

  18. Modeling crop water productivity using a coupled SWAT-MODSIM model

    Science.gov (United States)

    This study examines the water productivity of irrigated wheat and maize yields in Karkheh River Basin (KRB) in the semi-arid region of Iran using a coupled modeling approach consisting of the hydrological model (SWAT) and the river basin water allocation model (MODSIM). Dynamic irrigation requireme...

  19. Applications for coupled core neutronics and thermal-hydraulic models

    International Nuclear Information System (INIS)

    Eller, J.

    1996-01-01

    The unprecedented increases in computing capacity that have occurred during the last decade have affected our sciences, and thus our lives, to an extent that is difficult to overstate. All indications are that this trend will continue for years to come. Nuclear reactor systems analysis is one of many areas of engineering that has changed dramatically as a result of this evolution. Our ability to model the various mechanical and physical systems in greater and greater detail has allowed significant improvements in operational efficiency in spite of increasing regulatory requirements. Many of these efficiencies result from the use of more complex and geometrically detailed computer modeling, which is used to justify a reduction or elimination of some of the conservatisms required by earlier, less sophisticated analyses. And more recently, as our industries open-quotes downsize,close quotes efforts are being made to find ways to use the ever-increasing computing capacity to design systems that accomplish more work, in less time, and with fewer people. The balance of this paper discusses some of the visions that Duke Power Company feels would most benefit their particular methodologies. One of the concepts receiving a lot of attention involves an automated coupling of a thermal-hydraulic plant systems analysis model to a three-dimensional core neutronics program. The thermal-hydraulic analysis of several postulated system transients incorporates large conservatisms because of limited ability to model complex time-dependent asymmetric heat sources in adequate geometric detail. For these transients, the core behavior is closely coupled with the thermal-hydraulic behavior of the total plant system and vice versa. Steam-line break, uncontrolled rod withdrawal, and rod drop anayses are likely to benefit most from this type of linked process

  20. New method for model coupling using Stampi. Application to the coupling of atmosphere model (MM5) and land-surface model (SOLVEG)

    International Nuclear Information System (INIS)

    Nagai, Haruyasu

    2003-12-01

    A new method to couple atmosphere and land-surface models using the message passing interface (MPI) was proposed to develop an atmosphere-land model for studies on heat, water, and material exchanges around the land surface. A non-hydrostatic atmospheric dynamic model of Pennsylvania State University and National Center for Atmospheric Research (PUS/NCAR-MM5) and a detailed land surface model (SOLVEG) including the surface-layer atmosphere, soil, and vegetation developed at Japan Atomic Energy Research Institute (JAERI) are used as the atmosphere and land-surface models, respectively. Concerning the MPI, a message passing library named Stampi developed at JAERI that can be used between different parallel computers is used. The models are coupled by exchanging calculation results by using MPI on their independent parallel calculations. The modifications for this model coupling are easy, simply adding some modules for data exchanges to each model code without changing each model's original structure. Moreover, this coupling method is flexible and allows the use of independent time step and grid interval for each model. (author)

  1. Coupling between solute transport and chemical reactions models

    International Nuclear Information System (INIS)

    Samper, J.; Ajora, C.

    1993-01-01

    During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs

  2. Modelling coupled sedimentation and consolidation of fine slurries

    Energy Technology Data Exchange (ETDEWEB)

    Masala, S. [Klohn Crippen Berger, Calgary, AB (Canada)

    2010-07-01

    This article presented a model to simulate and successfully predict the essential elements of sedimentation and consolidation as a coupled process, bringing together separately developed models from chemistry and geology/geotechnical engineering, respectively. The derived model is for a 1-dimensional simultaneous sedimentation and consolidation of a solid-liquid suspension that uses permeability as the unifying concept for the hydrodynamic interaction between solid and liquid in a suspension. The numerical solution relies on an explicit finite difference procedure in material coordinates, and an Euler forward-marching scheme was used for advancing the solution in time. The problem of internal discontinuities was solved by way of convenient numerical solutions and Lagrangian coordinates. Java-based SECO software with a user-friendly graphical user interface (GUI) was used to implement the model, allowing the solution process to be visualized and animated. The software functionality along with GUI and programming issues were discussed at length. A fine-grained suspension data set was used to validate the model. 10 refs., 12 figs.

  3. Modeling of traction-coupling properties of wheel propulsor

    Science.gov (United States)

    Sakhapov, R. L.; Nikolaeva, R. V.; Gatiyatullin, M. H.; Makhmutov, M. M.

    2017-12-01

    In conditions of operation of aggregates on soils with low bearing capacity, the main performance indicators of their operation are determined by the properties of retaining the functional qualities of the propulsor. Therefore, the parameters of the anti-skid device can not be calculated by only one criterion. The equipment of propellers with anti-skid devices, which allow to reduce the compaction effect of the propulsion device on the soil, seems to be a rational solution to the problem of increasing traction and coupling properties of the driving wheels. The mathematical model is based on the study of the interaction of the driving wheel with anti-skid devices and a deformable bearing surface, which takes into account the wheel diameter, skid coefficient, the parameters of the anti-skid device, the physical and mechanical properties of the soil. As a basic mathematical model that determines the dependence of the coupling properties on the wheel parameters, the model obtained as a result of integration and reflecting the process of soil deformation from the shear stress is adopted. The total value of the resistance forces will determine the force of the hitch pressure on the horizontal soil layers, and the value of its deformation is the degree of wheel slippage. When the anti-skid devices interact with the soil, the traction capacity of the wheel is composed of shear forces, soil shear and soil deformation forces with detachable hooks. As a result of the interaction of the hook with the soil, the latter presses against the walls of the hook with the force equal to the sum of the hook load and the resistance to movement. During operation, the linear dimensions of the hook will decrease, which is not taken into account by the safety factor. Abrasive wear of the thickness of the hook is approximately proportional to the work of friction caused by the movement of the hook when inserted into the soil and slipping the wheel.

  4. Mass Spectrometry Coupled Experiments and Protein Structure Modeling Methods

    Directory of Open Access Journals (Sweden)

    Lee Sael

    2013-10-01

    Full Text Available With the accumulation of next generation sequencing data, there is increasing interest in the study of intra-species difference in molecular biology, especially in relation to disease analysis. Furthermore, the dynamics of the protein is being identified as a critical factor in its function. Although accuracy of protein structure prediction methods is high, provided there are structural templates, most methods are still insensitive to amino-acid differences at critical points that may change the overall structure. Also, predicted structures are inherently static and do not provide information about structural change over time. It is challenging to address the sensitivity and the dynamics by computational structure predictions alone. However, with the fast development of diverse mass spectrometry coupled experiments, low-resolution but fast and sensitive structural information can be obtained. This information can then be integrated into the structure prediction process to further improve the sensitivity and address the dynamics of the protein structures. For this purpose, this article focuses on reviewing two aspects: the types of mass spectrometry coupled experiments and structural data that are obtainable through those experiments; and the structure prediction methods that can utilize these data as constraints. Also, short review of current efforts in integrating experimental data in the structural modeling is provided.

  5. Affine group formulation of the Standard Model coupled to gravity

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Ching-Yi, E-mail: l2897107@mail.ncku.edu.tw [Department of Physics, National Cheng Kung University, Taiwan (China); Ita, Eyo, E-mail: ita@usna.edu [Department of Physics, US Naval Academy, Annapolis, MD (United States); Soo, Chopin, E-mail: cpsoo@mail.ncku.edu.tw [Department of Physics, National Cheng Kung University, Taiwan (China)

    2014-04-15

    In this work we apply the affine group formalism for four dimensional gravity of Lorentzian signature, which is based on Klauder’s affine algebraic program, to the formulation of the Hamiltonian constraint of the interaction of matter and all forces, including gravity with non-vanishing cosmological constant Λ, as an affine Lie algebra. We use the hermitian action of fermions coupled to gravitation and Yang–Mills theory to find the density weight one fermionic super-Hamiltonian constraint. This term, combined with the Yang–Mills and Higgs energy densities, are composed with York’s integrated time functional. The result, when combined with the imaginary part of the Chern–Simons functional Q, forms the affine commutation relation with the volume element V(x). Affine algebraic quantization of gravitation and matter on equal footing implies a fundamental uncertainty relation which is predicated upon a non-vanishing cosmological constant. -- Highlights: •Wheeler–DeWitt equation (WDW) quantized as affine algebra, realizing Klauder’s program. •WDW formulated for interaction of matter and all forces, including gravity, as affine algebra. •WDW features Hermitian generators in spite of fermionic content: Standard Model addressed. •Constructed a family of physical states for the full, coupled theory via affine coherent states. •Fundamental uncertainty relation, predicated on non-vanishing cosmological constant.

  6. Efficient solvers for coupled models in respiratory mechanics.

    Science.gov (United States)

    Verdugo, Francesc; Roth, Christian J; Yoshihara, Lena; Wall, Wolfgang A

    2017-02-01

    We present efficient preconditioners for one of the most physiologically relevant pulmonary models currently available. Our underlying motivation is to enable the efficient simulation of such a lung model on high-performance computing platforms in order to assess mechanical ventilation strategies and contributing to design more protective patient-specific ventilation treatments. The system of linear equations to be solved using the proposed preconditioners is essentially the monolithic system arising in fluid-structure interaction (FSI) extended by additional algebraic constraints. The introduction of these constraints leads to a saddle point problem that cannot be solved with usual FSI preconditioners available in the literature. The key ingredient in this work is to use the idea of the semi-implicit method for pressure-linked equations (SIMPLE) for getting rid of the saddle point structure, resulting in a standard FSI problem that can be treated with available techniques. The numerical examples show that the resulting preconditioners approach the optimal performance of multigrid methods, even though the lung model is a complex multiphysics problem. Moreover, the preconditioners are robust enough to deal with physiologically relevant simulations involving complex real-world patient-specific lung geometries. The same approach is applicable to other challenging biomedical applications where coupling between flow and tissue deformations is modeled with additional algebraic constraints. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  7. Coupled Modeling of Rhizosphere and Reactive Transport Processes

    Science.gov (United States)

    Roque-Malo, S.; Kumar, P.

    2017-12-01

    The rhizosphere, as a bio-diverse plant root-soil interface, hosts many hydrologic and biochemical processes, including nutrient cycling, hydraulic redistribution, and soil carbon dynamics among others. The biogeochemical function of root networks, including the facilitation of nutrient cycling through absorption and rhizodeposition, interaction with micro-organisms and fungi, contribution to biomass, etc., plays an important role in myriad Critical Zone processes. Despite this knowledge, the role of the rhizosphere on watershed-scale ecohydrologic functions in the Critical Zone has not been fully characterized, and specifically, the extensive capabilities of reactive transport models (RTMs) have not been applied to these hydrobiogeochemical dynamics. This study uniquely links rhizospheric processes with reactive transport modeling to couple soil biogeochemistry, biological processes, hydrologic flow, hydraulic redistribution, and vegetation dynamics. Key factors in the novel modeling approach are: (i) bi-directional effects of root-soil interaction, such as simultaneous root exudation and nutrient absorption; (ii) multi-state biomass fractions in soil (i.e. living, dormant, and dead biological and root materials); (iii) expression of three-dimensional fluxes to represent both vertical and lateral interconnected flows and processes; and (iv) the potential to include the influence of non-stationary external forcing and climatic factors. We anticipate that the resulting model will demonstrate the extensive effects of plant root dynamics on ecohydrologic functions at the watershed scale and will ultimately contribute to a better characterization of efflux from both agricultural and natural systems.

  8. Can a coupled meteorology–chemistry model reproduce the ...

    Science.gov (United States)

    The ability of a coupled meteorology–chemistry model, i.e., Weather Research and Forecast and Community Multiscale Air Quality (WRF-CMAQ), to reproduce the historical trend in aerosol optical depth (AOD) and clear-sky shortwave radiation (SWR) over the Northern Hemisphere has been evaluated through a comparison of 21-year simulated results with observation-derived records from 1990 to 2010. Six satellite-retrieved AOD products including AVHRR, TOMS, SeaWiFS, MISR, MODIS-Terra and MODIS-Aqua as well as long-term historical records from 11 AERONET sites were used for the comparison of AOD trends. Clear-sky SWR products derived by CERES at both the top of atmosphere (TOA) and surface as well as surface SWR data derived from seven SURFRAD sites were used for the comparison of trends in SWR. The model successfully captured increasing AOD trends along with the corresponding increased TOA SWR (upwelling) and decreased surface SWR (downwelling) in both eastern China and the northern Pacific. The model also captured declining AOD trends along with the corresponding decreased TOA SWR (upwelling) and increased surface SWR (downwelling) in the eastern US, Europe and the northern Atlantic for the period of 2000–2010. However, the model underestimated the AOD over regions with substantial natural dust aerosol contributions, such as the Sahara Desert, Arabian Desert, central Atlantic and northern Indian Ocean. Estimates of the aerosol direct radiative effect (DRE) at TOA a

  9. A method to couple HEM and HRM two-phase flow models

    Energy Technology Data Exchange (ETDEWEB)

    Herard, J.M.; Hurisse, O. [Elect France, Div Rech and Dev, Dept Mecan Fluides Energies and Environm, F-78401 Chatou (France); Hurisse, O. [Univ Aix Marseille 1, Ctr Math and Informat, Lab Anal Topol and Probabil, CNRS, UMR 6632, F-13453 Marseille 13 (France); Ambroso, A. [CEA Saclay, DEN, DM2S, SFME, LETR, 91 - Gif sur Yvette (France)

    2009-04-15

    We present a method for the unsteady coupling of two distinct two-phase flow models (namely the Homogeneous Relaxation Model, and the Homogeneous Equilibrium Model) through a thin interface. The basic approach relies on recent works devoted to the interfacial coupling of CFD models, and thus requires to introduce an interface model. Many numerical test cases enable to investigate the stability of the coupling method. (authors)

  10. A method to couple HEM and HRM two-phase flow models

    International Nuclear Information System (INIS)

    Herard, J.M.; Hurisse, O.; Hurisse, O.; Ambroso, A.

    2009-01-01

    We present a method for the unsteady coupling of two distinct two-phase flow models (namely the Homogeneous Relaxation Model, and the Homogeneous Equilibrium Model) through a thin interface. The basic approach relies on recent works devoted to the interfacial coupling of CFD models, and thus requires to introduce an interface model. Many numerical test cases enable to investigate the stability of the coupling method. (authors)

  11. On the equivalence between the thirring model and a derivative coupling model

    International Nuclear Information System (INIS)

    Gomes, M.; Silva, A.J. da.

    1986-07-01

    The equivalence between the Thirring model and the fermionic sector of the theory of a Dirac field interacting via derivate coupling with two boson fields is analysed. For a certain choice of the parameters the two models have the same fermionic Green functions. (Author) [pt

  12. Importance of Vibronic Effects in the UV-Vis Spectrum of the 7,7,8,8-Tetracyanoquinodimethane Anion.

    Science.gov (United States)

    Tapavicza, Enrico; Furche, Filipp; Sundholm, Dage

    2016-10-11

    We present a computational method for simulating vibronic absorption spectra in the ultraviolet-visible (UV-vis) range and apply it to the 7,7,8,8-tetracyanoquinodimethane anion (TCNQ - ), which has been used as a ligand in black absorbers. Gaussian broadening of vertical electronic excitation energies of TCNQ - from linear-response time-dependent density functional theory produces only one band, which is qualitatively incorrect. Thus, the harmonic vibrational modes of the two lowest doublet states were computed, and the vibronic UV-vis spectrum was simulated using the displaced harmonic oscillator approximation, the frequency-shifted harmonic oscillator approximation, and the full Duschinsky formalism. An efficient real-time generating function method was implemented to avoid the exponential complexity of conventional Franck-Condon approaches to vibronic spectra. The obtained UV-vis spectra for TCNQ - agree well with experiment; the Duschinsky rotation is found to have only a minor effect on the spectrum. Born-Oppenheimer molecular dynamics simulations combined with calculations of the electronic excitation energies for a large number of molecular structures were also used for simulating the UV-vis spectrum. The Born-Oppenheimer molecular dynamics simulations yield a broadening of the energetically lowest peak in the absorption spectrum, but additional vibrational bands present in the experimental and simulated quantum harmonic oscillator spectra are not observed in the molecular dynamics simulations. Our results underline the importance of vibronic effects for the UV-vis spectrum of TCNQ - , and they establish an efficient method for obtaining vibronic spectra using a combination of linear-response time-dependent density functional theory and a real-time generating function approach.

  13. Examining the impacts of increased corn production on groundwater quality using a coupled modeling system

    Science.gov (United States)

    This study demonstrates the value of a coupled chemical transport modeling system for investigating groundwater nitrate contamination responses associated with nitrogen (N) fertilizer application and increased corn production. The coupled Community Multiscale Air Quality Bidirect...

  14. Modelling of inductively coupled discharges excited by internal coils

    International Nuclear Information System (INIS)

    Lister, G.G.

    1991-01-01

    Modelling of inductively coupled discharges provides a method for computing parameters such as current, electrical conductivity and electromagnetic field strengths which are difficult to measure experimentally. The models reported in the literature to date deal with discharges which are surrounded by an induction coil where the plasma is considered as a one-turn secondary winding of a transformer. Eckert derived expressions for electromagnetic fields and impedance in discharges assuming Bessel function solutions to the wave and electron density equations, while more recently Denneman solved the non-linear problem, including the effects of a radial conductivity profile on the electromagnetic fields in a Ar-Hg discharge. Modelling of an ICD in which the coil is in the centre of the discharge presents an additional difficulty, since the coil does not provide a natural external boundary condition. In this paper, we compare numerical results from the approaches of Eckert and Denneman applied to discharges with internal coils, with a view to identifying relevant parameters applicable to interpretation of experiments. (author) 2 refs., 2 figs., 1 tab

  15. On coupling fluid plasma and kinetic neutral physics models

    Directory of Open Access Journals (Sweden)

    I. Joseph

    2017-08-01

    Full Text Available The coupled fluid plasma and kinetic neutral physics equations are analyzed through theory and simulation of benchmark cases. It is shown that coupling methods that do not treat the coupling rates implicitly are restricted to short time steps for stability. Fast charge exchange, ionization and recombination coupling rates exist, even after constraining the solution by requiring that the neutrals are at equilibrium. For explicit coupling, the present implementation of Monte Carlo correlated sampling techniques does not allow for complete convergence in slab geometry. For the benchmark case, residuals decay with particle number and increase with grid size, indicating that they scale in a manner that is similar to the theoretical prediction for nonlinear bias error. Progress is reported on implementation of a fully implicit Jacobian-free Newton–Krylov coupling scheme. The present block Jacobi preconditioning method is still sensitive to time step and methods that better precondition the coupled system are under investigation.

  16. Data inversion in coupled subsurface flow and geomechanics models

    International Nuclear Information System (INIS)

    Iglesias, Marco A; McLaughlin, Dennis

    2012-01-01

    We present an inverse modeling approach to estimate petrophysical and elastic properties of the subsurface. The aim is to use the fully coupled geomechanics-flow model of Girault et al (2011 Math. Models Methods Appl. Sci. 21 169–213) to jointly invert surface deformation and pressure data from wells. We use a functional-analytic framework to construct a forward operator (parameter-to-output map) that arises from the geomechanics-flow model of Girault et al. Then, we follow a deterministic approach to pose the inverse problem of finding parameter estimates from measurements of the output of the forward operator. We prove that this inverse problem is ill-posed in the sense of stability. The inverse problem is then regularized with the implementation of the Newton-conjugate gradient (CG) algorithm of Hanke (1997 Numer. Funct. Anal. Optim. 18 18–971). For a consistent application of the Newton-CG scheme, we establish the differentiability of the forward map and characterize the adjoint of its linearization. We provide assumptions under which the theory of Hanke ensures convergence and regularizing properties of the Newton-CG scheme. These properties are verified in our numerical experiments. In addition, our synthetic experiments display the capabilities of the proposed inverse approach to estimate parameters of the subsurface by means of data inversion. In particular, the added value of measurements of surface deformation in the estimation of absolute permeability is quantified with respect to the standard history matching approach of inverting production data with flow models. The proposed methodology can be potentially used to invert satellite geodetic data (e.g. InSAR and GPS) in combination with production data for optimal monitoring and characterization of the subsurface. (paper)

  17. Computational Modelling of Fracture Propagation in Rocks Using a Coupled Elastic-Plasticity-Damage Model

    Directory of Open Access Journals (Sweden)

    Isa Kolo

    2016-01-01

    Full Text Available A coupled elastic-plasticity-damage constitutive model, AK Model, is applied to predict fracture propagation in rocks. The quasi-brittle material model captures anisotropic effects and the distinct behavior of rocks in tension and compression. Calibration of the constitutive model is realized using experimental data for Carrara marble. Through the Weibull distribution function, heterogeneity effect is captured by spatially varying the elastic properties of the rock. Favorable comparison between model predictions and experiments for single-flawed specimens reveal that the AK Model is reliable and accurate for modelling fracture propagation in rocks.

  18. Coupling Radar Rainfall to Hydrological Models for Water Abstraction Management

    Science.gov (United States)

    Asfaw, Alemayehu; Shucksmith, James; Smith, Andrea; MacDonald, Ken

    2015-04-01

    The impacts of climate change and growing water use are likely to put considerable pressure on water resources and the environment. In the UK, a reform to surface water abstraction policy has recently been proposed which aims to increase the efficiency of using available water resources whilst minimising impacts on the aquatic environment. Key aspects to this reform include the consideration of dynamic rather than static abstraction licensing as well as introducing water trading concepts. Dynamic licensing will permit varying levels of abstraction dependent on environmental conditions (i.e. river flow and quality). The practical implementation of an effective dynamic abstraction strategy requires suitable flow forecasting techniques to inform abstraction asset management. Potentially the predicted availability of water resources within a catchment can be coupled to predicted demand and current storage to inform a cost effective water resource management strategy which minimises environmental impacts. The aim of this work is to use a historical analysis of UK case study catchment to compare potential water resource availability using modelled dynamic abstraction scenario informed by a flow forecasting model, against observed abstraction under a conventional abstraction regime. The work also demonstrates the impacts of modelling uncertainties on the accuracy of predicted water availability over range of forecast lead times. The study utilised a conceptual rainfall-runoff model PDM - Probability-Distributed Model developed by Centre for Ecology & Hydrology - set up in the Dove River catchment (UK) using 1km2 resolution radar rainfall as inputs and 15 min resolution gauged flow data for calibration and validation. Data assimilation procedures are implemented to improve flow predictions using observed flow data. Uncertainties in the radar rainfall data used in the model are quantified using artificial statistical error model described by Gaussian distribution and

  19. Finite element modeling of a 3D coupled foot-boot model.

    Science.gov (United States)

    Qiu, Tian-Xia; Teo, Ee-Chon; Yan, Ya-Bo; Lei, Wei

    2011-12-01

    Increasingly, musculoskeletal models of the human body are used as powerful tools to study biological structures. The lower limb, and in particular the foot, is of interest because it is the primary physical interaction between the body and the environment during locomotion. The goal of this paper is to adopt the finite element (FE) modeling and analysis approaches to create a state-of-the-art 3D coupled foot-boot model for future studies on biomechanical investigation of stress injury mechanism, foot wear design and parachute landing fall simulation. In the modeling process, the foot-ankle model with lower leg was developed based on Computed Tomography (CT) images using ScanIP, Surfacer and ANSYS. Then, the boot was represented by assembling the FE models of upper, insole, midsole and outsole built based on the FE model of the foot-ankle, and finally the coupled foot-boot model was generated by putting together the models of the lower limb and boot. In this study, the FE model of foot and ankle was validated during balance standing. There was a good agreement in the overall patterns of predicted and measured plantar pressure distribution published in literature. The coupled foot-boot model will be fully validated in the subsequent works under both static and dynamic loading conditions for further studies on injuries investigation in military and sports, foot wear design and characteristics of parachute landing impact in military. Copyright © 2011 IPEM. Published by Elsevier Ltd. All rights reserved.

  20. Embedding complex hydrology in the climate system - towards fully coupled climate-hydrology models

    DEFF Research Database (Denmark)

    Butts, M.; Rasmussen, S.H.; Ridler, M.

    2013-01-01

    Motivated by the need to develop better tools to understand the impact of future management and climate change on water resources, we present a set of studies with the overall aim of developing a fully dynamic coupling between a comprehensive hydrological model, MIKE SHE, and a regional climate...... distributed parameters using satellite remote sensing. Secondly, field data are used to investigate the effects of model resolution and parameter scales for use in a coupled model. Finally, the development of the fully coupled climate-hydrology model is described and some of the challenges associated...... with coupling models for hydrological processes on sub-grid scales of the regional climate model are presented....

  1. Two Schemes for Generation of Entanglement for Vibronic Collective States of Multiple Trapped Ions

    International Nuclear Information System (INIS)

    Yang Wenxing; Li Jiahua; Zheng Anshou

    2007-01-01

    We propose two schemes to prepare entanglement for the vibronic collective states of multiple trapped ions. The first scheme aims to generating multipartite entanglement for vibrational modes of trapped ions, which only requires a single laser beam tuned to the ionic carrier frequency. Our scheme works in the mediated excitation regime, in which the corresponding Rabi frequency is equal to the trap frequency. Beyond their fundamental importance, these states may be of interest for experimental studies on decoherence since the present scheme operates in a fast way. The second scheme aims to preparing the continuous variable multimode maximally Greenberger-Horne-Zeilinger state. The distinct advantage is that the operation time is only limited by the available laser intensity, not by the inherent mechanisms such as off-resonant excitations. This makes it promising to obtain entanglement of multiple coherent and squeezing states with desired amplitudes in a reasonable time.

  2. Fluid model of inductively coupled plasma etcher based on COMSOL

    International Nuclear Information System (INIS)

    Cheng Jia; Ji Linhong; Zhu Yu; Shi Yixiang

    2010-01-01

    Fluid dynamic models are generally appropriate for the investigation of inductively coupled plasmas. A commercial ICP etcher filled with argon plasma is simulated in this study. The simulation is based on a multiphysical software, COMSOL(TM), which is a partial differential equation solver. Just as with other plasma fluid models, there are drift-diffusion approximations for ions, the quasi-neutrality assumption for electrons movements, reduced Maxwell equations for electromagnetic fields, electron energy equations for electron temperatures and the Navier-Stokes equation for neutral background gas. The two-dimensional distribution of plasma parameters are shown at 200 W of power and 1.33 Pa (10 mTorr) of pressure. Then the profile comparison of the electron number density and temperature with respect to power is illustrated. Finally we believe that there might be some disagreement between the predicted values and the real ones, and the reasons for this difference would be the Maxwellian eedf assumption and the lack of the cross sections of collisions and the reaction rates. (semiconductor physics)

  3. Spin foam models of matter coupled to gravity

    International Nuclear Information System (INIS)

    Mikovic, A

    2002-01-01

    We construct a class of spin foam models describing matter coupled to gravity, such that the gravitational sector is described by the unitary irreducible representations of the appropriate symmetry group, while the matter sector is described by the finite-dimensional irreducible representations of that group. The corresponding spin foam amplitudes in the four-dimensional gravity case are expressed in terms of the spin network amplitudes for pentagrams with additional external and internal matter edges. We also give a quantum field theory formulation of the model, where the matter degrees of freedom are described by spin network fields carrying the indices from the appropriate group representation. In the non-topological Lorentzian gravity case, we argue that the matter representations should be appropriate SO(3) or SO(2) representations contained in a given Lorentz matter representation, depending on whether one wants to describe a massive or a massless matter field. The corresponding spin network amplitudes are given as multiple integrals of propagators which are matrix spherical functions

  4. Finite Nuclei in the Quark-Meson Coupling Model.

    Science.gov (United States)

    Stone, J R; Guichon, P A M; Reinhard, P G; Thomas, A W

    2016-03-04

    We report the first use of the effective quark-meson coupling (QMC) energy density functional (EDF), derived from a quark model of hadron structure, to study a broad range of ground state properties of even-even nuclei across the periodic table in the nonrelativistic Hartree-Fock+BCS framework. The novelty of the QMC model is that the nuclear medium effects are treated through modification of the internal structure of the nucleon. The density dependence is microscopically derived and the spin-orbit term arises naturally. The QMC EDF depends on a single set of four adjustable parameters having a clear physics basis. When applied to diverse ground state data the QMC EDF already produces, in its present simple form, overall agreement with experiment of a quality comparable to a representative Skyrme EDF. There exist, however, multiple Skyrme parameter sets, frequently tailored to describe selected nuclear phenomena. The QMC EDF set of fewer parameters, derived in this work, is not open to such variation, chosen set being applied, without adjustment, to both the properties of finite nuclei and nuclear matter.

  5. Linking density functional and mode coupling models for supercooled liquids

    Energy Technology Data Exchange (ETDEWEB)

    Premkumar, Leishangthem; Bidhoodi, Neeta; Das, Shankar P. [School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110067 (India)

    2016-03-28

    We compare predictions from two familiar models of the metastable supercooled liquid, respectively, constructed with thermodynamic and dynamic approaches. In the so called density functional theory the free energy F[ρ] of the liquid is a functional of the inhomogeneous density ρ(r). The metastable state is identified as a local minimum of F[ρ]. The sharp density profile characterizing ρ(r) is identified as a single particle oscillator, whose frequency is obtained from the parameters of the optimum density function. On the other hand, a dynamic approach to supercooled liquids is taken in the mode coupling theory (MCT) which predict a sharp ergodicity-non-ergodicity transition at a critical density. The single particle dynamics in the non-ergodic state, treated approximately, represents a propagating mode whose characteristic frequency is computed from the corresponding memory function of the MCT. The mass localization parameters in the above two models (treated in their simplest forms) are obtained, respectively, in terms of the corresponding natural frequencies depicted and are shown to have comparable magnitudes.

  6. Particle model of a cylindrical inductively coupled ion source

    Science.gov (United States)

    Ippolito, N. D.; Taccogna, F.; Minelli, P.; Cavenago, M.; Veltri, P.

    2017-08-01

    In spite of the wide use of RF sources, a complete understanding of the mechanisms regulating the RF-coupling of the plasma is still lacking so self-consistent simulations of the involved physics are highly desirable. For this reason we are developing a 2.5D fully kinetic Particle-In-Cell Monte-Carlo-Collision (PIC-MCC) model of a cylindrical ICP-RF source, keeping the time step of the simulation small enough to resolve the plasma frequency scale. The grid cell dimension is now about seven times larger than the average Debye length, because of the large computational demand of the code. It will be scaled down in the next phase of the development of the code. The filling gas is Xenon, in order to minimize the time lost by the MCC collision module in the first stage of development of the code. The results presented here are preliminary, with the code already showing a good robustness. The final goal will be the modeling of the NIO1 (Negative Ion Optimization phase 1) source, operating in Padua at Consorzio RFX.

  7. Linking density functional and mode coupling models for supercooled liquids.

    Science.gov (United States)

    Premkumar, Leishangthem; Bidhoodi, Neeta; Das, Shankar P

    2016-03-28

    We compare predictions from two familiar models of the metastable supercooled liquid, respectively, constructed with thermodynamic and dynamic approaches. In the so called density functional theory the free energy F[ρ] of the liquid is a functional of the inhomogeneous density ρ(r). The metastable state is identified as a local minimum of F[ρ]. The sharp density profile characterizing ρ(r) is identified as a single particle oscillator, whose frequency is obtained from the parameters of the optimum density function. On the other hand, a dynamic approach to supercooled liquids is taken in the mode coupling theory (MCT) which predict a sharp ergodicity-non-ergodicity transition at a critical density. The single particle dynamics in the non-ergodic state, treated approximately, represents a propagating mode whose characteristic frequency is computed from the corresponding memory function of the MCT. The mass localization parameters in the above two models (treated in their simplest forms) are obtained, respectively, in terms of the corresponding natural frequencies depicted and are shown to have comparable magnitudes.

  8. A coupled geomorphic and ecological model of tidal marsh evolution.

    Science.gov (United States)

    Kirwan, Matthew L; Murray, A Brad

    2007-04-10

    The evolution of tidal marsh platforms and interwoven channel networks cannot be addressed without treating the two-way interactions that link biological and physical processes. We have developed a 3D model of tidal marsh accretion and channel network development that couples physical sediment transport processes with vegetation biomass productivity. Tidal flow tends to cause erosion, whereas vegetation biomass, a function of bed surface depth below high tide, influences the rate of sediment deposition and slope-driven transport processes such as creek bank slumping. With a steady, moderate rise in sea level, the model builds a marsh platform and channel network with accretion rates everywhere equal to the rate of sea-level rise, meaning water depths and biological productivity remain temporally constant. An increase in the rate of sea-level rise, or a reduction in sediment supply, causes marsh-surface depths, biomass productivity, and deposition rates to increase while simultaneously causing the channel network to expand. Vegetation on the marsh platform can promote a metastable equilibrium where the platform maintains elevation relative to a rapidly rising sea level, although disturbance to vegetation could cause irreversible loss of marsh habitat.

  9. From strong to weak coupling in holographic models of thermalization

    Energy Technology Data Exchange (ETDEWEB)

    Grozdanov, Sašo; Kaplis, Nikolaos [Instituut-Lorentz for Theoretical Physics, Leiden University,Niels Bohrweg 2, Leiden 2333 CA (Netherlands); Starinets, Andrei O. [Rudolf Peierls Centre for Theoretical Physics, University of Oxford,1 Keble Road, Oxford OX1 3NP (United Kingdom)

    2016-07-29

    We investigate the analytic structure of thermal energy-momentum tensor correlators at large but finite coupling in quantum field theories with gravity duals. We compute corrections to the quasinormal spectra of black branes due to the presence of higher derivative R{sup 2} and R{sup 4} terms in the action, focusing on the dual to N=4 SYM theory and Gauss-Bonnet gravity. We observe the appearance of new poles in the complex frequency plane at finite coupling. The new poles interfere with hydrodynamic poles of the correlators leading to the breakdown of hydrodynamic description at a coupling-dependent critical value of the wave-vector. The dependence of the critical wave vector on the coupling implies that the range of validity of the hydrodynamic description increases monotonically with the coupling. The behavior of the quasinormal spectrum at large but finite coupling may be contrasted with the known properties of the hierarchy of relaxation times determined by the spectrum of a linearized kinetic operator at weak coupling. We find that the ratio of a transport coefficient such as viscosity to the relaxation time determined by the fundamental non-hydrodynamic quasinormal frequency changes rapidly in the vicinity of infinite coupling but flattens out for weaker coupling, suggesting an extrapolation from strong coupling to the kinetic theory result. We note that the behavior of the quasinormal spectrum is qualitatively different depending on whether the ratio of shear viscosity to entropy density is greater or less than the universal, infinite coupling value of ℏ/4πk{sub B}. In the former case, the density of poles increases, indicating a formation of branch cuts in the weak coupling limit, and the spectral function shows the appearance of narrow peaks. We also discuss the relation of the viscosity-entropy ratio to conjectured bounds on relaxation time in quantum systems.

  10. Study of gap conductance model for thermo mechanical fully coupled finite element model

    International Nuclear Information System (INIS)

    Kim, Hyo Cha; Yang, Yong Sik; Kim, Dae Ho; Bang, Je Geon; Kim, Sun Ki; Koo, Yang Hyun

    2012-01-01

    A light water reactor (LWR) fuel rod consists of zirconium alloy cladding and uranium dioxide pellets, with a slight gap between them. Therefore, the mechanical integrity of zirconium alloy cladding is the most critical issue, as it is an important barrier for fission products released into the environment. To evaluate the stress and strain of the cladding during operation, fuel performance codes with a one-dimensional (1D) approach have been reported since the 1970s. However, it is difficult for a 1D model to simulate the stress and strain of the cladding accurately owing to a lack of degree of freedom. A LWR fuel performance code should include thermo-mechanical coupled model owing to the existence of the fuel-cladding gap. Generally, the gap that is filled with helium gas results in temperature drop along radius direction. The gap conductance that determines temperature gradient within the gap is very sensitive to gap thickness. For instance, once the gap size increases up to several microns in certain region, difference of surface temperatures increases up to 100 Kelvin. Therefore, iterative thermo-mechanical coupled analysis is required to solve temperature distribution throughout pellet and cladding. Consequently, the Finite Element (FE) module, which can simulate a higher degree of freedom numerically, is an indispensable requirement to understand the thermomechanical behavior of cladding. FRAPCON-3, which is reliable performance code, has iterative loop for thermo-mechanical coupled calculation to solve 1D gap conductance model. In FEMAXI-III, 1D thermal analysis module and FE module for stress-strain analysis were separated. 1D thermal module includes iterative analysis between them. DIONISIO code focused on thermal contact model as function of surface roughness and contact pressure when the gap is closed. In previous works, gap conductance model has been developed only for 1D model or hybrid model (1D and FE). To simulate temperature, stress and strain

  11. Incorporation of ice sheet models into an Earth system model: Focus on methodology of coupling

    Science.gov (United States)

    Rybak, Oleg; Volodin, Evgeny; Morozova, Polina; Nevecherja, Artiom

    2018-03-01

    Elaboration of a modern Earth system model (ESM) requires incorporation of ice sheet dynamics. Coupling of an ice sheet model (ICM) to an AOGCM is complicated by essential differences in spatial and temporal scales of cryospheric, atmospheric and oceanic components. To overcome this difficulty, we apply two different approaches for the incorporation of ice sheets into an ESM. Coupling of the Antarctic ice sheet model (AISM) to the AOGCM is accomplished via using procedures of resampling, interpolation and assigning to the AISM grid points annually averaged meanings of air surface temperature and precipitation fields generated by the AOGCM. Surface melting, which takes place mainly on the margins of the Antarctic peninsula and on ice shelves fringing the continent, is currently ignored. AISM returns anomalies of surface topography back to the AOGCM. To couple the Greenland ice sheet model (GrISM) to the AOGCM, we use a simple buffer energy- and water-balance model (EWBM-G) to account for orographically-driven precipitation and other sub-grid AOGCM-generated quantities. The output of the EWBM-G consists of surface mass balance and air surface temperature to force the GrISM, and freshwater run-off to force thermohaline circulation in the oceanic block of the AOGCM. Because of a rather complex coupling procedure of GrIS compared to AIS, the paper mostly focuses on Greenland.

  12. Kuramoto model of coupled oscillators with positive and negative coupling parameters: an example of conformist and contrarian oscillators.

    Science.gov (United States)

    Hong, Hyunsuk; Strogatz, Steven H

    2011-02-04

    We consider a generalization of the Kuramoto model in which the oscillators are coupled to the mean field with random signs. Oscillators with positive coupling are "conformists"; they are attracted to the mean field and tend to synchronize with it. Oscillators with negative coupling are "contrarians"; they are repelled by the mean field and prefer a phase diametrically opposed to it. The model is simple and exactly solvable, yet some of its behavior is surprising. Along with the stationary states one might have expected (a desynchronized state, and a partially-synchronized state, with conformists and contrarians locked in antiphase), it also displays a traveling wave, in which the mean field oscillates at a frequency different from the population's mean natural frequency.

  13. Fully coupled thermal-mechanical-fluid flow model for nonliner geologic systems

    International Nuclear Information System (INIS)

    Hart, R.D.

    1981-01-01

    A single model is presented which describes fully coupled thermal-mechanical-fluid flow behavior of highly nonlinear, dynamic or quasistatic, porous geologic systems. The mathematical formulation for the model utilizes the continuum theory of mixtures to describe the multiphase nature of the system, and incremental linear constitutive theory to describe the path dependency of nonlinear material behavior. The model, incorporated in an explicit finite difference numerical procedure, was implemented in two different computer codes. A special-purpose one-dimensional code, SNEAKY, was written for initial validation of the coupling mechanisms and testing of the coupled model logic. A general purpose commercially available code, STEALTH, developed for modeling dynamic nonlinear thermomechanical processes, was modified to include fluid flow behavior and the coupling constitutive model. The fully explicit approach in the coupled calculation facilitated the inclusion of the coupling mechanisms and complex constitutive behavior. Analytical solutions pertaining to consolidation theory for soils, thermoelasticity for solids, and hydrothermal convection theory provided verification of stress and fluid flow, stress and conductive heat transfer, and heat transfer and fluid flow couplings, respectively, in the coupled model. A limited validation of the adequacy of the coupling constitutive assumptions was also performed by comparison with the physical response from two laboratory tests. Finally, the full potential of the coupled model is illustrated for geotechnical applications in energy-resource related areas. Examples in the areas of nuclear waste isolation and cut-and-fill mining are cited

  14. Coupling of 3D neutronics models with the system code ATHLET

    International Nuclear Information System (INIS)

    Langenbuch, S.; Velkov, K.

    1999-01-01

    The system code ATHLET for plant transient and accident analysis has been coupled with 3D neutronics models, like QUABOX/CUBBOX, for the realistic evaluation of some specific safety problems under discussion. The considerations for the coupling approach and its realization are discussed. The specific features of the coupled code system established are explained and experience from first applications is presented. (author)

  15. 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.)

  16. Modular coupling of transport and chemistry: theory and model applications

    International Nuclear Information System (INIS)

    Pfingsten, W.

    1994-06-01

    For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. (For full text of the abstract see 25:072321)

  17. Coupled 1D-2D hydrodynamic inundation model for sewer overflow: Influence of modeling parameters

    Directory of Open Access Journals (Sweden)

    Adeniyi Ganiyu Adeogun

    2015-10-01

    Full Text Available This paper presents outcome of our investigation on the influence of modeling parameters on 1D-2D hydrodynamic inundation model for sewer overflow, developed through coupling of an existing 1D sewer network model (SWMM and 2D inundation model (BREZO. The 1D-2D hydrodynamic model was developed for the purpose of examining flood incidence due to surcharged water on overland surface. The investigation was carried out by performing sensitivity analysis on the developed model. For the sensitivity analysis, modeling parameters, such as mesh resolution Digital Elevation Model (DEM resolution and roughness were considered. The outcome of the study shows the model is sensitive to changes in these parameters. The performance of the model is significantly influenced, by the Manning's friction value, the DEM resolution and the area of the triangular mesh. Also, changes in the aforementioned modeling parameters influence the Flood characteristics, such as the inundation extent, the flow depth and the velocity across the model domain. Keywords: Inundation, DEM, Sensitivity analysis, Model coupling, Flooding

  18. Phase Transition Couplings in the Higgsed Monopole Model

    CERN Document Server

    Laperashvili, L V

    1999-01-01

    Using a one-loop approximation for the effective potential in the Higgs model of electrodynamics for a charged scalar field, we argue for the existence of a triple point for the renormalized (running) values of the selfinteraction beta-function as a typical quantity we estimate that the one-loop approximation is valid with accuracy of deviations not more than 30% in the region of the parameters: $0.2 \\stackrel{<}{\\sim}{\\large \\alpha, \\tilde{\\alpha}} corresponds to the above-mentioned region of $\\alpha, \\tilde \\alpha$. Under the point of view that the Higgs particle is a monopole with a magnetic charge g, the obtained electric fine structure constant turns out to be to the $\\alpha_{crit}^{lat}\\approx{0.20}$ which in a U(1) lattice gauge theory corresponds to the phase transition between the "Coulomb" and confinement phases. Such a result is very encouraging for the idea of an approximate "universality" (regularization independence) of gauge couplings at the phase transition point. This idea was suggested by...

  19. OFFLINE COUPLING AND VERIFICATION OF THE UNIFIED EMEP MODEL AND WORKETA MODEL

    OpenAIRE

    Podraščanin, Zorica

    2016-01-01

    In this paper the offline coupling of the Unified EMEP (European Monitoring and Evaluation Programme) model and WorkETA model was presented. For that purpose the meteorological driver was developed to supply the Unified EMEP model with input data from WorkETA model. To examine the use of the new driver, the Unified EMEP model was run from April to December 2005. The monthly and daily concentration of NO2, SO2 and SO42- obtained by using WorkETA driver was compared to measured values and to th...

  20. A coupled DEM-CFD method for impulse wave modelling

    Science.gov (United States)

    Zhao, Tao; Utili, Stefano; Crosta, GiovanBattista

    2015-04-01

    Rockslides can be characterized by a rapid evolution, up to a possible transition into a rock avalanche, which can be associated with an almost instantaneous collapse and spreading. Different examples are available in the literature, but the Vajont rockslide is quite unique for its morphological and geological characteristics, as well as for the type of evolution and the availability of long term monitoring data. This study advocates the use of a DEM-CFD framework for the modelling of the generation of hydrodynamic waves due to the impact of a rapid moving rockslide or rock-debris avalanche. 3D DEM analyses in plane strain by a coupled DEM-CFD code were performed to simulate the rockslide from its onset to the impact with still water and the subsequent wave generation (Zhao et al., 2014). The physical response predicted is in broad agreement with the available observations. The numerical results are compared to those published in the literature and especially to Crosta et al. (2014). According to our results, the maximum computed run up amounts to ca. 120 m and 170 m for the eastern and western lobe cross sections, respectively. These values are reasonably similar to those recorded during the event (i.e. ca. 130 m and 190 m respectively). In these simulations, the slope mass is considered permeable, such that the toe region of the slope can move submerged in the reservoir and the impulse water wave can also flow back into the slope mass. However, the upscaling of the grains size in the DEM model leads to an unrealistically high hydraulic conductivity of the model, such that only a small amount of water is splashed onto the northern bank of the Vajont valley. The use of high fluid viscosity and coarse grain model has shown the possibility to model more realistically both the slope and wave motions. However, more detailed slope and fluid properties, and the need for computational efficiency should be considered in future research work. This aspect has also been

  1. 3-D Modelling of Electromagnetic, Thermal, Mechanical and Metallurgical Couplings in Metal Forming Processes

    International Nuclear Information System (INIS)

    Chenot, Jean-Loup; Bay, Francois

    2007-01-01

    The different stages of metal forming processes often involve - beyond the mechanical deformations processes - other physical coupled problems, such as heat transfer, electromagnetism or metallurgy. The purpose of this paper is to focus on problems involving electromagnetic couplings. After a brief recall on electromagnetic modeling, we shall then focus on induction heating processes and present some results regarding heat transfer, as well as mechanical couplings. A case showing coupling for metallurgic microstructure evolution will conclude this paper

  2. Magnetosphere-thermosphere coupling: An experiment in interactive modeling

    International Nuclear Information System (INIS)

    Forbes, J.M.; Harel, M.

    1989-01-01

    The Rice convection model (RCM) is utilized to investigate the electrodynamic coupling between the inner magnetosphere and the thermosphere including the effects of EUV- and convection-driven neutral winds under quasi-equilibrium conditions. A unique aspect of the study is that the convection-driven winds are included self-consistently and interactively; that is, a steady state wind parameterization is written analytically in terms of the electrostatic potential, which is in turn included in a closed-loop calculation for the electric potential itself. Simulations are performed from 1,400 UT to 1,600 UT during the CDAW-6 interval on March 22, 1979, when the cross-cap electric potential attains values of order 140-180 kV. During the early phases of the disturbance when the normal shielding from high latitudes breaks down, the neutral winds do not modify appreciably the disturbance electric fields at middle and low latitudes. As the system approaches a quasi-equilibrium state, the neutral winds play a much more significant role. The convection driven component of the neutral wind similarly acts to reduce the southward field in the noon sector, but gives rise to an enhancement in the dusk sector field extending to middle latitudes. The parameterized Pedersen effective winds are of order 300 ms -1 and reflect the familiar two-cell pattern with antisunward flow over the polar cap and return flows in the dawn and dusk sectors. These amplitudes and similarity with the ion drift motions reflect the relatively large contributions to the Pedersen effective winds originating in the upper E region and lower F region of the ionosphere. Possibilities for introducing further sophistication into the wind parameterization are discussed, as well as ramifications of the present study on the possible merging of the RCM with the NCAR TGCM to attain a higher degree of self-consistency and reality in modelling efforts

  3. South African seasonal rainfall prediction performance by a coupled ocean-atmosphere model

    CSIR Research Space (South Africa)

    Landman, WA

    2010-12-01

    Full Text Available Evidence is presented that coupled ocean-atmosphere models can already outscore computationally less expensive atmospheric models. However, if the atmospheric models are forced with highly skillful SST predictions, they may still be a very strong...

  4. Improved Regional Climate Model Simulation of Precipitation by a Dynamical Coupling to a Hydrology Model

    DEFF Research Database (Denmark)

    Larsen, Morten Andreas Dahl; Drews, Martin; Hesselbjerg Christensen, Jens

    convective precipitation systems. As a result climate model simulations let alone future projections of precipitation often exhibit substantial biases. Here we show that the dynamical coupling of a regional climate model to a detailed fully distributed hydrological model - including groundwater-, overland...... of local precipitation dynamics are seen for time scales of app. Seasonal duration and longer. We show that these results can be attributed to a more complete treatment of land surface feedbacks. The local scale effect on the atmosphere suggests that coupled high-resolution climate-hydrology models...... including a detailed 3D redistribution of sub- and land surface water have a significant potential for improving climate projections even diminishing the need for bias correction in climate-hydrology studies....

  5. Coupling between a geochemical model and a transport model of dissolved elements

    International Nuclear Information System (INIS)

    Jacquier, P.

    1988-10-01

    In order to assess the safety analysis of an underground repository, the transport of radioelements in groundwater and their interactions with the geological medium are modelled. The objective of this work is the setting up and experimental validation of the coupling of a geochemical model with a transport model of dissolved elements. A laboratory experiment was developed at the CEA center of Cadarache. Flow-through experiments were carried out on columns filled with crushed limestone, where several inflow conditions were taken into account as the temperature, the presence of a pollutant (strontium chloride) at different concentrations. The results consist of the evolution of the chemical composition of the water at the outlet of the column. The final aim of the study is to explain these results with a coupled model where geochemical and transport phenomena are modelled in a two-step procedure. This code, called STELE, was built by introducing a geochemical code, CHIMERE, into an existing transport code, METIS. At this stage, the code CHIMERE can take into account: any chemical reaction in aqueous phase (complexation, acid-base reaction, redox equilibrium), dissolution-precipitation of minerals and solid phases, dissolution-degassing of gas. The paper intends to describe the whole process leading to the coupling which can be forecasted over the next years between geochemical and transport models

  6. Coupled flare attractors – a discrete prototype for economic modelling

    Directory of Open Access Journals (Sweden)

    Georg C. Hartmann

    1999-01-01

    Full Text Available A chaotic environment can give rise to “flares” if an autocatalytic variable responds in a multiplicative, threshold-type fashion to the environmental forcing. An “economic unit” similarly depends in its growth behavior on the unpredictable (chaotic? buying habits of its customers, say. It turns out that coupled flare attractors are surprisingly robust in the sense that the resulting “economy” is largely independent of the extent of diffusive coupling used. Some simulations are presented.

  7. Modeling of Perpendicularly Driven Dual-Frequency Capacitively Coupled Plasma

    International Nuclear Information System (INIS)

    Wang Hongyu; Sun Peng; Zhao Shuangyun; Li Yang; Jiang Wei

    2016-01-01

    We analyzed perpendicularly configured dual-frequency (DF) capacitively coupled plasmas (CCP). In this configuration, two pairs of electrodes are arranged oppositely, and the discharging is perpendicularly driven by two radio frequency (RF) sources. Particle-in-cell/Monte Carlo (PIC/MC) simulation showed that the configuration had some advantages as this configuration eliminated some dual frequency coupling effects. Some variation and potential application of the discharging configuration is discussed briefly. (paper)

  8. Neutronic characteristics of coupled moderator proposed in integrated model

    International Nuclear Information System (INIS)

    Teshigawara, Makoto; Meigo, Shin-ichiro; Sakata, Hideaki; Kai, Tetsuya; Harada, Masahide; Ikeda, Yujiro; Watanabe, Noboru

    2001-05-01

    A pulsed spallation source for the materials science and the life science is currently developing for its construction in the High Intensity Proton Accelerator Project proposed jointly by the Japan Atomic Energy Research Institute (JAERI) and the High Energy Accelerator Research Organization (KEK). This report presents the analytical results of the neutronic characteristics of the coupled moderator based on the analytical results obtained by using an integrated model which has established on the extensive neutronic and technical study. Total heat deposition in a hydrogen (H 2 ) moderator working as the main moderator was about 420 W/MW. Maximum nuclear heat density in the H 2 moderator was about 1 W/cm 3 /MW. Also total heat deposition in a premoderator was about 9.2 kW/MW. The heat density of the premoderator was comparable to that of the moderator vessel made of aluminum alloy. The heat density of the premoderator and the moderator vessel is about 1.2-2 times higher than that of the hydrogen moderator. The temperature from 300 K to 400 K of the premoderator did not affect on neutron intensity of the H 2 moderator. This suggested an engineering advantage on the thermal and hydraulic design. 6000 or 7000 type of a aluminum alloy was considered from the viewpoint of the neutron beam transmission. The proton beams scattered by the proton beam window did not affect on the nuclear heating in the H 2 moderator. The heat deposition in the H 2 moderator and the neutron intensity of the H 2 moderator did not depend on the proton beam profile but it did on the distance between the proton beam and the moderator. (author)

  9. DRIFT-SCALE COUPLED PROCESSES (DST AND TH SEEPAGE) MODELS

    International Nuclear Information System (INIS)

    J.T. Birkholzer; S. Mukhopadhyay

    2005-01-01

    The purpose of this report is to document drift-scale modeling work performed to evaluate the thermal-hydrological (TH) behavior in Yucca Mountain fractured rock close to waste emplacement drifts. The heat generated by the decay of radioactive waste results in rock temperatures elevated from ambient for thousands of years after emplacement. Depending on the thermal load, these temperatures are high enough to cause boiling conditions in the rock, giving rise to water redistribution and altered flow paths. The predictive simulations described in this report are intended to investigate fluid flow in the vicinity of an emplacement drift for a range of thermal loads. Understanding the TH coupled processes is important for the performance of the repository because the thermally driven water saturation changes affect the potential seepage of water into waste emplacement drifts. Seepage of water is important because if enough water gets into the emplacement drifts and comes into contact with any exposed radionuclides, it may then be possible for the radionuclides to be transported out of the drifts and to the groundwater below the drifts. For above-boiling rock temperatures, vaporization of percolating water in the fractured rock overlying the repository can provide an important barrier capability that greatly reduces (and possibly eliminates) the potential of water seeping into the emplacement drifts. In addition to this thermal process, water is inhibited from entering the drift opening by capillary forces, which occur under both ambient and thermal conditions (capillary barrier). The combined barrier capability of vaporization processes and capillary forces in the near-field rock during the thermal period of the repository is analyzed and discussed in this report

  10. Analysis of Neural-BOLD Coupling through Four Models of the Neural Metabolic Demand

    Directory of Open Access Journals (Sweden)

    Christopher W Tyler

    2015-12-01

    Full Text Available The coupling of the neuronal energetics to the blood-oxygen-level-dependent (BOLD response is still incompletely understood. To address this issue, we compared the fits of four plausible models of neurometabolic coupling dynamics to available data for simultaneous recordings of the local field potential (LFP and the local BOLD response recorded from monkey primary visual cortex over a wide range of stimulus durations. The four models of the metabolic demand driving the BOLD response were: direct coupling with the overall LFP; rectified coupling to the LFP; coupling with a slow adaptive component of the implied neural population response; and coupling with the non-adaptive intracellular input signal defined by the stimulus time course. Taking all stimulus durations into account, the results imply that the BOLD response is most closely coupled with metabolic demand derived from the intracellular input waveform, without significant influence from the adaptive transients and nonlinearities exhibited by the LFP waveform.

  11. Nanoscale modeling for ultrathin liquid films: Spreading and coupled layering

    Science.gov (United States)

    Phillips, David Michael

    liquid PFPE. The experimental analogue of replenishment is the one-dimensional spreading analysis. PFPEs with functional endgroups demonstrated coupled molecular layering and dewetting phenomena during the spreading analysis, while PFPEs with nonfunctional endgroups did not. All of the PFPE thin films spread via a diffusive process and had diffusion coefficients that depended on the local film thickness. A theoretical analysis is presented here for both the governing equation and the disjoining pressure driving force for the PFPE thin film spreading. For PFPEs with non-functional endgroups, a reasonable analysis is performed on the diffusion coefficient for two classes of film: submonolayer and multilayer. The diffusion coefficient of PFPEs with functional endgroups are qualitatively linked to the gradient of the film disjoining pressure. To augment this theory, both lattice-based and off-lattice Monte Carlo simulations are conducted for PFPE film models. The lattice-based model shows the existence of a critical functional endgroup interaction strength. It is also used to study the break-up of molecular layers for a spreading film via a fractal analysis. The off-lattice model is used to calculate the anisotropic pressure tensor for the model PFPE thin film and subsequently the film disjoining pressure. The model also qualitatively analyzes of the self diffusion in the film.

  12. Development of a global 1-D chemically radiatively coupled model and an introduction to the development of a chemically coupled General Circulation Model

    International Nuclear Information System (INIS)

    Akiyoshi, H.

    1997-01-01

    A global one-dimensional, chemically and radiatively coupled model has been developed. The basic concept of the coupled model, definition of globally averaged zenith angles, the formulation of the model chemistry, radiation, the coupled processes, and profiles and diurnal variations of temperature and chemical species at a normal steady state are presented. Furthermore, a suddenly doubled CO 2 experiment and a Pinatubo aerosol increase experiment were performed with the model. The time scales of variations in ozone and temperature in the lower stratosphere of the coupled system in the doubled CO 2 experiment was long, due to a feedback process among ultra violet radiation, O(1D), NO y , NO x , and O 3 . From the Pinatubo aerosol experiment, a delay of maximum ozone decrease from the maximum aerosol loading is shown and discussed. Developments of 3-D chemical models with coupled processes are briefly described, and the ozone distribution from the first version of the 3-D model are presented. Chemical model development in National Institute for Environmental Studies (NIES) are briefly described. (author)

  13. Multi-year predictability in a coupled general circulation model

    Energy Technology Data Exchange (ETDEWEB)

    Power, Scott; Colman, Rob [Bureau of Meteorology Research Centre, Melbourne, VIC (Australia)

    2006-02-01

    Multi-year to decadal variability in a 100-year integration of a BMRC coupled atmosphere-ocean general circulation model (CGCM) is examined. The fractional contribution made by the decadal component generally increases with depth and latitude away from surface waters in the equatorial Indo-Pacific Ocean. The relative importance of decadal variability is enhanced in off-equatorial ''wings'' in the subtropical eastern Pacific. The model and observations exhibit ''ENSO-like'' decadal patterns. Analytic results are derived, which show that the patterns can, in theory, occur in the absence of any predictability beyond ENSO time-scales. In practice, however, modification to this stochastic view is needed to account for robust differences between ENSO-like decadal patterns and their interannual counterparts. An analysis of variability in the CGCM, a wind-forced shallow water model, and a simple mixed layer model together with existing and new theoretical results are used to improve upon this stochastic paradigm and to provide a new theory for the origin of decadal ENSO-like patterns like the Interdecadal Pacific Oscillation and Pacific Decadal Oscillation. In this theory, ENSO-driven wind-stress variability forces internal equatorially-trapped Kelvin waves that propagate towards the eastern boundary. Kelvin waves can excite reflected internal westward propagating equatorially-trapped Rossby waves (RWs) and coastally-trapped waves (CTWs). CTWs have no impact on the off-equatorial sub-surface ocean outside the coastal wave guide, whereas the RWs do. If the frequency of the incident wave is too high, then only CTWs are excited. At lower frequencies, both CTWs and RWs can be excited. The lower the frequency, the greater the fraction of energy transmitted to RWs. This lowers the characteristic frequency of variability off the equator relative to its equatorial counterpart. Both the eastern boundary interactions and the accumulation of

  14. A Multi-Model Reduction Technique for Optimization of Coupled Structural-Acoustic Problems

    DEFF Research Database (Denmark)

    Creixell Mediante, Ester; Jensen, Jakob Søndergaard; Brunskog, Jonas

    2016-01-01

    Finite Element models of structural-acoustic coupled systems can become very large for complex structures with multiple connected parts. Optimization of the performance of the structure based on harmonic analysis of the system requires solving the coupled problem iteratively and for several frequ....... Several methods are compared in terms of accuracy and size of the reduced systems for optimization of simple models....

  15. Strategies for the coupling of global and local crystal growth models

    Science.gov (United States)

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

    2007-05-01

    The modular coupling of existing numerical codes to model crystal growth processes will provide for maximum effectiveness, capability, and flexibility. However, significant challenges are posed to make these coupled models mathematically self-consistent and algorithmically robust. This paper presents sample results from a coupling of the CrysVUn code, used here to compute furnace-scale heat transfer, and Cats2D, used to calculate melt fluid dynamics and phase-change phenomena, to form a global model for a Bridgman crystal growth system. However, the strategy used to implement the CrysVUn-Cats2D coupling is unreliable and inefficient. The implementation of under-relaxation within a block Gauss-Seidel iteration is shown to be ineffective for improving the coupling performance in a model one-dimensional problem representative of a melt crystal growth model. Ideas to overcome current convergence limitations using approximations to a full Newton iteration method are discussed.

  16. A Minimal Model to Explore the Influence of Distant Modes on Mode-Coupling Instabilities

    Science.gov (United States)

    Kruse, Sebastian; Hoffmann, Norbert

    2010-09-01

    The phenomenon of mode-coupling instability is one of the most frequently explored mechanisms to explain self-excited oscillation in sliding systems with friction. A mode coupling instability is usually due to the coupling of two modes. However, further modes can have an important influence on the coupling of two modes. This work extends a well-known minimal model to describe mode-coupling instabilities in order to explore the influence of a distant mode on the classical mode-coupling pattern. This work suggests a new minimal model. The model is explored and it is shown that a third mode can have significant influence on the classical mode-coupling instabilities where two modes are coupling. Different phenomena are analysed and it is pointed out that distant modes can only be ignored in very special cases and that the onset friction-induced oscillations can even be very sensitive to minimal variation of a distant mode. Due to the chosen academic minimal-model and the abandonment of a complex Finite-Element model the insight stays rather phenomenological but a better understanding of the mode-coupling mechnanism can be gained.

  17. Scalable Coupling of Multiscale AEH and PARADYN Analyses for Impact Modeling

    National Research Council Canada - National Science Library

    Valisetty, Rama R; Chung, Peter W; Namburu, Raju R

    2005-01-01

    .... An asymptotic expansion homogenization (AEH)-based microstructural model available for modeling microstructural aspects of modern armor materials is coupled with PARADYN, a parallel explicit Lagrangian finite-element code...

  18. Yukawa couplings and the nature of zero modes in the Skyrme model

    International Nuclear Information System (INIS)

    Kawarabayashi, K.

    1989-01-01

    Several issues related, directly or indirectly, to the Yukawa coupling in the Skyrme model are discussed. The authors try to shed a new light on the physical nature of the zero modes associated with translation (rotation) invariance of the model

  19. Coupled Interfacial Tension and Phase Behavior Model Based on Micellar Curvatures

    KAUST Repository

    Torrealba, V. A.; Johns, R. T.

    2017-01-01

    This article introduces a consistent and robust model that predicts interfacial tensions for all microemulsion Winsor types and overall compositions. The model incorporates film bending arguments and Huh's equation and is coupled to phase behavior

  20. Effect of land model ensemble versus coupled model ensemble on the simulation of precipitation climatology and variability

    Science.gov (United States)

    Wei, Jiangfeng; Dirmeyer, Paul A.; Yang, Zong-Liang; Chen, Haishan

    2017-10-01

    Through a series of model simulations with an atmospheric general circulation model coupled to three different land surface models, this study investigates the impacts of land model ensembles and coupled model ensemble on precipitation simulation. It is found that coupling an ensemble of land models to an atmospheric model has a very minor impact on the improvement of precipitation climatology and variability, but a simple ensemble average of the precipitation from three individually coupled land-atmosphere models produces better results, especially for precipitation variability. The generally weak impact of land processes on precipitation should be the main reason that the land model ensembles do not improve precipitation simulation. However, if there are big biases in the land surface model or land surface data set, correcting them could improve the simulated climate, especially for well-constrained regional climate simulations.

  1. An Integration and Evaluation Framework for ESPC Coupled Models

    Science.gov (United States)

    2014-09-30

    the CESM-HYCOM coupled system under the OI for ESPC award. This should be simplified by the use of the MCT datatype in ESMF. Make it available to...ESPC Testbed: Basic optimization Implement MCT datatype in ESMF and include in ESMF release. This was not yet started. 5 ESPC Testbed

  2. Self-similar solution for coupled thermal electromagnetic model ...

    African Journals Online (AJOL)

    An investigation into the existence and uniqueness solution of self-similar solution for the coupled Maxwell and Pennes Bio-heat equations have been done. Criteria for existence and uniqueness of self-similar solution are revealed in the consequent theorems. Journal of the Nigerian Association of Mathematical Physics ...

  3. Topic models: A novel method for modeling couple and family text data

    Science.gov (United States)

    Atkins, David C.; Rubin, Tim N.; Steyvers, Mark; Doeden, Michelle A.; Baucom, Brian R.; Christensen, Andrew

    2012-01-01

    Couple and family researchers often collect open-ended linguistic data – either through free response questionnaire items or transcripts of interviews or therapy sessions. Because participant's responses are not forced into a set number of categories, text-based data can be very rich and revealing of psychological processes. At the same time it is highly unstructured and challenging to analyze. Within family psychology analyzing text data typically means applying a coding system, which can quantify text data but also has several limitations, including the time needed for coding, difficulties with inter-rater reliability, and defining a priori what should be coded. The current article presents an alternative method for analyzing text data called topic models (Steyvers & Griffiths, 2006), which has not yet been applied within couple and family psychology. Topic models have similarities with factor analysis and cluster analysis in that topic models identify underlying clusters of words with semantic similarities (i.e., the “topics”). In the present article, a non-technical introduction to topic models is provided, highlighting how these models can be used for text exploration and indexing (e.g., quickly locating text passages that share semantic meaning) and how output from topic models can be used to predict behavioral codes or other types of outcomes. Throughout the article a collection of transcripts from a large couple therapy trial (Christensen et al., 2004) is used as example data to highlight potential applications. Practical resources for learning more about topic models and how to apply them are discussed. PMID:22888778

  4. The construction of a model of the process of couples' forgiveness in emotion-focused therapy for couples.

    Science.gov (United States)

    Meneses, Catalina Woldarsky; Greenberg, Leslie S

    2011-10-01

    This study explored how forgiveness unfolds in the context of emotion-focused couples therapy (EFT-C) in eight cases of women betrayed by their partners. Forgiveness was defined as a process involving the reduction in negative feelings and the giving out of undeserved compassion. This was measured by changes in the pre- and posttreatment scores on the Enright Forgiveness Inventory, the Unfinished Business Resolution Scale, and a single item directly asking respondents to indicate their degree of forgiveness. A task analysis was performed to rigorously track the steps leading to forgiveness using videotapes of therapy sessions for eight couples. The performance of the four couples who forgave were compared with each other and then contrasted with the performance of another four couples who did not reach forgiveness at the end of therapy. Based on these observations, a model of the process of forgiveness in EFT-C and a process rating system were developed. © 2011 American Association for Marriage and Family Therapy.

  5. runDM: Running couplings of Dark Matter to the Standard Model

    Science.gov (United States)

    D'Eramo, Francesco; Kavanagh, Bradley J.; Panci, Paolo

    2018-02-01

    runDM calculates the running of the couplings of Dark Matter (DM) to the Standard Model (SM) in simplified models with vector mediators. By specifying the mass of the mediator and the couplings of the mediator to SM fields at high energy, the code can calculate the couplings at low energy, taking into account the mixing of all dimension-6 operators. runDM can also extract the operator coefficients relevant for direct detection, namely low energy couplings to up, down and strange quarks and to protons and neutrons.

  6. The use of coupled atmospheric and hydrological models for water-resources management in headwater basins

    Science.gov (United States)

    Leavesley, G.; Hay, L.

    1998-01-01

    Coupled atmospheric and hydrological models provide an opportunity for the improved management of water resources in headwater basins. Issues currently limiting full implementation of coupled-model methodologies include (a) the degree of uncertainty in the accuracy of precipitation and other meteorological variables simulated by atmospheric models, and (b) the problem of discordant scales between atmospheric and bydrological models. Alternative methodologies being developed to address these issues are reviewed.

  7. Zooming in on vibronic structure by lowest-value projection reconstructed 4D coherent spectroscopy

    Science.gov (United States)

    Harel, Elad

    2018-05-01

    A fundamental goal of chemical physics is an understanding of microscopic interactions in liquids at and away from equilibrium. In principle, this microscopic information is accessible by high-order and high-dimensionality nonlinear optical measurements. Unfortunately, the time required to execute such experiments increases exponentially with the dimensionality, while the signal decreases exponentially with the order of the nonlinearity. Recently, we demonstrated a non-uniform acquisition method based on radial sampling of the time-domain signal [W. O. Hutson et al., J. Phys. Chem. Lett. 9, 1034 (2018)]. The four-dimensional spectrum was then reconstructed by filtered back-projection using an inverse Radon transform. Here, we demonstrate an alternative reconstruction method based on the statistical analysis of different back-projected spectra which results in a dramatic increase in sensitivity and at least a 100-fold increase in dynamic range compared to conventional uniform sampling and Fourier reconstruction. These results demonstrate that alternative sampling and reconstruction methods enable applications of increasingly high-order and high-dimensionality methods toward deeper insights into the vibronic structure of liquids.

  8. Simulation of the single-vibronic-level emission spectrum of HPS.

    Science.gov (United States)

    Mok, Daniel K W; Lee, Edmond P F; Chau, Foo-tim; Dyke, John M

    2014-05-21

    We have computed the potential energy surfaces of the X¹A' and ùA" states of HPS using the explicitly correlated multi-reference configuration interaction (MRCI-F12) method, and Franck-Condon factors between the two states, which include anharmonicity and Duschinsky rotation, with the aim of testing the assignment of the recently reported single-vibronic-level (SVL) emission spectrum of HPS [R. Grimminger, D. J. Clouthier, R. Tarroni, Z. Wang, and T. J. Sears, J. Chem. Phys. 139, 174306 (2013)]. These are the highest level calculations on these states yet reported. It is concluded that our spectral simulation supports the assignments of the molecular carrier, the electronic states involved and the vibrational structure of the experimental laser induced fluorescence, and SVL emission spectra proposed by Grimminger et al. [J. Chem. Phys. 139, 174306 (2013)]. However, there remain questions unanswered regarding the relative electronic energies of the two states and the geometry of the excited state of HPS.

  9. Simulation of the single-vibronic-level emission spectrum of HPS

    Energy Technology Data Exchange (ETDEWEB)

    Mok, Daniel K. W., E-mail: bcdaniel@polyu.edu.hk, E-mail: epl@soton.ac.uk; Chau, Foo-tim [Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University, Hung Hom (Hong Kong); Lee, Edmond P. F., E-mail: bcdaniel@polyu.edu.hk, E-mail: epl@soton.ac.uk [Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University, Hung Hom (Hong Kong); School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom); Dyke, John M. [School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom)

    2014-05-21

    We have computed the potential energy surfaces of the X{sup ~1}A{sup ′} and A{sup ~1}A{sup ′′} states of HPS using the explicitly correlated multi-reference configuration interaction (MRCI-F12) method, and Franck–Condon factors between the two states, which include anharmonicity and Duschinsky rotation, with the aim of testing the assignment of the recently reported single-vibronic-level (SVL) emission spectrum of HPS [R. Grimminger, D. J. Clouthier, R. Tarroni, Z. Wang, and T. J. Sears, J. Chem. Phys. 139, 174306 (2013)]. These are the highest level calculations on these states yet reported. It is concluded that our spectral simulation supports the assignments of the molecular carrier, the electronic states involved and the vibrational structure of the experimental laser induced fluorescence, and SVL emission spectra proposed by Grimminger et al. [J. Chem. Phys. 139, 174306 (2013)]. However, there remain questions unanswered regarding the relative electronic energies of the two states and the geometry of the excited state of HPS.

  10. Simulation of the single-vibronic-level emission spectrum of HPS

    International Nuclear Information System (INIS)

    Mok, Daniel K. W.; Chau, Foo-tim; Lee, Edmond P. F.; Dyke, John M.

    2014-01-01

    We have computed the potential energy surfaces of the X ~1 A ′ and A ~1 A ′′ states of HPS using the explicitly correlated multi-reference configuration interaction (MRCI-F12) method, and Franck–Condon factors between the two states, which include anharmonicity and Duschinsky rotation, with the aim of testing the assignment of the recently reported single-vibronic-level (SVL) emission spectrum of HPS [R. Grimminger, D. J. Clouthier, R. Tarroni, Z. Wang, and T. J. Sears, J. Chem. Phys. 139, 174306 (2013)]. These are the highest level calculations on these states yet reported. It is concluded that our spectral simulation supports the assignments of the molecular carrier, the electronic states involved and the vibrational structure of the experimental laser induced fluorescence, and SVL emission spectra proposed by Grimminger et al. [J. Chem. Phys. 139, 174306 (2013)]. However, there remain questions unanswered regarding the relative electronic energies of the two states and the geometry of the excited state of HPS

  11. Effect of isotopic substitution on the collisional quenching of vibronically excited CO+

    International Nuclear Information System (INIS)

    Katayama, D.H.; Welsh, J.A.

    1983-01-01

    Rovibronic levels of the A 2 Pi/sub i/ state for 12 C 16 O + and 13 C 16 O + have been selectively excited by a pulsed, tunable dye laser and their time resolved fluorescence obtained as a function of helium pressure. These ions are formed by reaction of neutral carbon monoxide with helium metastable atoms created in a dc discharge. Since 13 CO + has essentially the same potential energy curves as 12 CO + , but differs primarily in its vibrational energy spacings, this experiment accentuates the role, in the collisional deactivation process, of the high lying ground state vibrational levels which are adjacent to the laser populated vibronic levels of the A 2 Pi/sub i/ state. Quenching rates are determined for the v' = 0, 1, and 2 levels which have relatively insignificant isotope shifts of a few wave numbers for the two isotopes. The difference in rates for the two isotopic ions demonstrates the importance of the positions for the high lying v'' = 10 and 11 ground state levels which have large isotope shifts of hundreds of wave numbers. A discussion of the deactivation process is given in terms of perturbations, Franck--Condon factors, energy gaps, and other considerations

  12. Two-Dimensional Resonance Raman Signatures of Vibronic Coherence Transfer in Chemical Reactions.

    Science.gov (United States)

    Guo, Zhenkun; Molesky, Brian P; Cheshire, Thomas P; Moran, Andrew M

    2017-11-02

    Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in condensed phase systems. 2DRR spectroscopy is motivated by knowledge of non-equilibrium effects that cannot be detected with traditional resonance Raman spectroscopy. For example, 2DRR spectra may reveal correlated distributions of reactant and product geometries in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this chapter, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide. We show that signatures of "vibronic coherence transfer" in the photodissociation process can be targeted with particular 2DRR pulse sequences. Key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopy techniques are also addressed. Overall, recent experimental developments and applications of the 2DRR method suggest that it will be a valuable tool for elucidating ultrafast chemical reaction mechanisms.

  13. A global hybrid coupled model based on atmosphere-SST feedbacks

    Energy Technology Data Exchange (ETDEWEB)

    Cimatoribus, Andrea A.; Drijfhout, Sybren S. [Royal Netherlands Meteorological Institute, De Bilt (Netherlands); Dijkstra, Henk A. [Utrecht University, Institute for Marine and Atmospheric Research Utrecht, Utrecht (Netherlands)

    2012-02-15

    A global hybrid coupled model is developed, with the aim of studying the effects of ocean-atmosphere feedbacks on the stability of the Atlantic meridional overturning circulation. The model includes a global ocean general circulation model and a statistical atmosphere model. The statistical atmosphere model is based on linear regressions of data from a fully coupled climate model on sea surface temperature both locally and hemispherically averaged, being the footprint of Atlantic meridional overturning variability. It provides dynamic boundary conditions to the ocean model for heat, freshwater and wind-stress. A basic but consistent representation of ocean-atmosphere feedbacks is captured in the hybrid coupled model and it is more than 10 times faster than the fully coupled climate model. The hybrid coupled model reaches a steady state with a climate close to the one of the fully coupled climate model, and the two models also have a similar response (collapse) of the Atlantic meridional overturning circulation to a freshwater hosing applied in the northern North Atlantic. (orig.)

  14. Investigating conceptual models for physical property couplings in solid solution models of cement

    International Nuclear Information System (INIS)

    Benbow, Steven; Watson, Claire; Savage, David

    2005-11-01

    The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste

  15. Investigating conceptual models for physical property couplings in solid solution models of cement

    Energy Technology Data Exchange (ETDEWEB)

    Benbow, Steven; Watson, Claire; Savage, David [Quintesssa Ltd., Henley-on-Thames (United Kingdom)

    2005-11-15

    The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste.

  16. Investigation of reflood models by coupling REFLA-1D and multi-loop system model

    International Nuclear Information System (INIS)

    Sugimoto, Jun; Murao, Yoshio

    1983-09-01

    A system analysis code REFLA-1DS was developed by coupling reflood analysis code REFLA-1D and a multi-loop primary system model. The reflood models in the code were investigated for the development of the integral system analysis code. The REFLA-1D, which was developed with the small scale reflood experiment at JAERI, consists of one-dimensional core model and a primary system model with a constant loop resistance. The multi-loop primary system model was developed with the Cylindrical Core Test Facility of JAERI's large scale reflood tests. The components modeled in the code are the upper plenum, the steam generator, the coolant pump, the ECC injection port, the downcomer and the broken cold leg nozzle. The coupling between the two models in REFLA-1DS is accomplished by applying the equivalent flow resistance calculated with the multiloop model to the REFLA-1D. The characteristics of the code is its simplicity of the system model and the solution method which enables the fast running and the easy reflood analysis for the further model development. A fairly good agreement was obtained with the results of the Cylindrical Core Test Facility for the calculated water levels in the downcomer, the core and the upper plenum. A qualitatively good agreement was obtained concerning the parametric effects of the system pressure, the ECC flow rate and the initial clad temperature. Needs for further code improvements of the models, however, were pointed out. These include the problem concerning the generation rate of the steam and water droplets in the core in an early period, the effect of the flow oscillation on the core cooling, the heat release from the downcomer wall, and the stable system calculation. (author)

  17. Porous media fluid flow, heat, and mass transport model with rock stress coupling

    International Nuclear Information System (INIS)

    Runchal, A.K.

    1980-01-01

    This paper describes the physical and mathematical basis of a general purpose porous media flow model, GWTHERM. The mathematical basis of the model is obtained from the coupled set of the classical governing equations for the mass, momentum and energy balance. These equations are embodied in a computational model which is then coupled externally to a linearly elastic rock-stress model. This coupling is rather exploratory and based upon empirical correlations. The coupled model is able to take account of time-dependent, inhomogeneous and anisotropic features of the hydrogeologic, thermal and transport phenomena. A number of applications of the model have been made. Illustrations from the application of the model to nuclear waste repositories are included

  18. Coupled Particle Transport and Pattern Formation in a Nonlinear Leaky-Box Model

    Science.gov (United States)

    Barghouty, A. F.; El-Nemr, K. W.; Baird, J. K.

    2009-01-01

    Effects of particle-particle coupling on particle characteristics in nonlinear leaky-box type descriptions of the acceleration and transport of energetic particles in space plasmas are examined in the framework of a simple two-particle model based on the Fokker-Planck equation in momentum space. In this model, the two particles are assumed coupled via a common nonlinear source term. In analogy with a prototypical mathematical system of diffusion-driven instability, this work demonstrates that steady-state patterns with strong dependence on the magnetic turbulence but a rather weak one on the coupled particles attributes can emerge in solutions of a nonlinearly coupled leaky-box model. The insight gained from this simple model may be of wider use and significance to nonlinearly coupled leaky-box type descriptions in general.

  19. Coupled hygrothermal, electrochemical, and mechanical modelling for deterioration prediction in reinforced cementitious materials

    DEFF Research Database (Denmark)

    Michel, Alexander; Geiker, Mette Rica; Lepech, M.

    2017-01-01

    In this paper a coupled hygrothermal, electrochemical, and mechanical modelling approach for the deterioration prediction in cementitious materials is briefly outlined. Deterioration prediction is thereby based on coupled modelling of (i) chemical processes including among others transport of hea......, i.e. information, such as such as corrosion current density, damage state of concrete cover, etc., are constantly exchanged between the models....... and matter as well as phase assemblage on the nano and micro scale, (ii) corrosion of steel including electrochemical processes at the reinforcement surface, and (iii) material performance including corrosion- and load-induced damages on the meso and macro scale. The individual FEM models are fully coupled...

  20. Bifurcation and synchronization of synaptically coupled FHN models with time delay

    International Nuclear Information System (INIS)

    Wang Qingyun; Lu Qishao; Chen Guanrong; Feng Zhaosheng; Duan Lixia

    2009-01-01

    This paper presents an investigation of dynamics of the coupled nonidentical FHN models with synaptic connection, which can exhibit rich bifurcation behavior with variation of the coupling strength. With the time delay being introduced, the coupled neurons may display a transition from the original chaotic motions to periodic ones, which is accompanied by complex bifurcation scenario. At the same time, synchronization of the coupled neurons is studied in terms of their mean frequencies. We also find that the small time delay can induce new period windows with the coupling strength increasing. Moreover, it is found that synchronization of the coupled neurons can be achieved in some parameter ranges and related to their bifurcation transition. Bifurcation diagrams are obtained numerically or analytically from the mathematical model and the parameter regions of different behavior are clarified.

  1. Trilinear Higgs couplings in the two Higgs doublet model with CP violation

    International Nuclear Information System (INIS)

    Osland, Per; Pandita, P. N.; Selbuz, Levent

    2008-01-01

    We carry out a detailed analysis of the general two Higgs doublet model with CP violation. We describe two different parametrizations of this model, and then study the Higgs boson masses and the trilinear Higgs couplings for these two parametrizations. Within a rather general model, we find that the trilinear Higgs couplings have a significant dependence on the details of the model, even when the lightest Higgs boson mass is taken to be a fixed parameter. We include radiative corrections in the one-loop effective potential approximation in our analysis of the Higgs boson masses and the Higgs trilinear couplings. The one-loop corrections to the trilinear couplings of the two Higgs doublet model also depend significantly on the details of the model, and can be rather large. We study quantitatively the trilinear Higgs couplings, and show that these couplings are typically several times larger than the corresponding standard model trilinear Higgs coupling in some regions of the parameter space. We also briefly discuss the decoupling limit of the two Higgs doublet model.

  2. Weak coupling polaron and Landau-Zener scenario: Qubits modeling

    Science.gov (United States)

    Jipdi, M. N.; Tchoffo, M.; Fokou, I. F.; Fai, L. C.; Ateuafack, M. E.

    2017-06-01

    The paper presents a weak coupling polaron in a spherical dot with magnetic impurities and investigates conditions for which the system mimics a qubit. Particularly, the work focuses on the Landau-Zener (LZ) scenario undergone by the polaron and derives transition coefficients (transition probabilities) as well as selection rules for polaron's transitions. It is proven that, the magnetic impurities drive the polaron to a two-state superposition leading to a qubit structure. We also showed that the symmetry deficiency induced by the magnetic impurities (strong magnetic field) yields to the banishment of transition coefficients with non-stacking states. However, the transition coefficients revived for large confinement frequency (or weak magnetic field) with the orbital quantum numbers escorting transitions. The polaron is then shown to map a qubit independently of the number of relevant states with the transition coefficients lifted as LZ probabilities and given as a function of the electron-phonon coupling constant (Fröhlich constant).

  3. Low Variance Couplings for Stochastic Models of Intracellular Processes with Time-Dependent Rate Functions.

    Science.gov (United States)

    Anderson, David F; Yuan, Chaojie

    2018-04-18

    A number of coupling strategies are presented for stochastically modeled biochemical processes with time-dependent parameters. In particular, the stacked coupling is introduced and is shown via a number of examples to provide an exceptionally low variance between the generated paths. This coupling will be useful in the numerical computation of parametric sensitivities and the fast estimation of expectations via multilevel Monte Carlo methods. We provide the requisite estimators in both cases.

  4. Confined solutions of the Thirring model coupled to a Schwinger field

    International Nuclear Information System (INIS)

    Hortacsu, M.

    1976-08-01

    In the study of the confined classical solutions of the bosonized massive Thirring field coupled to a Schwinger field, it is observed that, regardless of their respective magnitudes and signs, the Thirring interaction is dominant over the other one, in determining whether such a solution exists. Confined solutions for the Thirring field are possible if and only if the Thirring coupling is attractive. Solutions are constructed for the Thirring model coupling attractive, repulsive and equal to zero

  5. Representing grounding line migration in synchronous coupling between a marine ice sheet model and a z-coordinate ocean model

    Science.gov (United States)

    Goldberg, D. N.; Snow, K.; Holland, P.; Jordan, J. R.; Campin, J.-M.; Heimbach, P.; Arthern, R.; Jenkins, A.

    2018-05-01

    Synchronous coupling is developed between an ice sheet model and a z-coordinate ocean model (the MITgcm). A previously-developed scheme to allow continuous vertical movement of the ice-ocean interface of a floating ice shelf ("vertical coupling") is built upon to allow continuous movement of the grounding line, or point of floatation of the ice sheet ("horizontal coupling"). Horizontal coupling is implemented through the maintenance of a thin layer of ocean ( ∼ 1 m) under grounded ice, which is inflated into the real ocean as the ice ungrounds. This is accomplished through a modification of the ocean model's nonlinear free surface evolution in a manner akin to a hydrological model in the presence of steep bathymetry. The coupled model is applied to a number of idealized geometries and shown to successfully represent ocean-forced marine ice sheet retreat while maintaining a continuous ocean circulation.

  6. Synchronisation in the phase model of three coupled lasers

    International Nuclear Information System (INIS)

    Kuznetsov, A P; Sataev, I R; Tyuryukina, L V; Chernyshov, N Yu

    2014-01-01

    The problem of synchronisation of three lasers is considered within the phase approximation. The domains of complete synchronisation, partial synchronisation, two-frequency resonant regimes, and three-frequency quasi-periodicity have been found using bifurcation analysis, the method of Lyapunov exponent maps, and construction of phase portraits. The differences in the properties of a three-element chain and ring, as well as the influence of the coupling type, are discussed. (control of laser radiation parameters)

  7. Modelling coupled microbial processes in the subsurface: Model development, verification, evaluation and application

    Science.gov (United States)

    Masum, Shakil A.; Thomas, Hywel R.

    2018-06-01

    To study subsurface microbial processes, a coupled model which has been developed within a Thermal-Hydraulic-Chemical-Mechanical (THCM) framework is presented. The work presented here, focuses on microbial transport, growth and decay mechanisms under the influence of multiphase flow and bio-geochemical reactions. In this paper, theoretical formulations and numerical implementations of the microbial model are presented. The model has been verified and also evaluated against relevant experimental results. Simulated results show that the microbial processes have been accurately implemented and their impacts on porous media properties can be predicted either qualitatively or quantitatively or both. The model has been applied to investigate biofilm growth in a sandstone core that is subjected to a two-phase flow and variable pH conditions. The results indicate that biofilm growth (if not limited by substrates) in a multiphase system largely depends on the hydraulic properties of the medium. When the change in porewater pH which occurred due to dissolution of carbon dioxide gas is considered, growth processes are affected. For the given parameter regime, it has been shown that the net biofilm growth is favoured by higher pH; whilst the processes are considerably retarded at lower pH values. The capabilities of the model to predict microbial respiration in a fully coupled multiphase flow condition and microbial fermentation leading to production of a gas phase are also demonstrated.

  8. Scenario Analysis With Economic-Energy Systems Models Coupled to Simple Climate Models

    Science.gov (United States)

    Hanson, D. A.; Kotamarthi, V. R.; Foster, I. T.; Franklin, M.; Zhu, E.; Patel, D. M.

    2008-12-01

    Here, we compare two scenarios based on Stanford University's Energy Modeling Forum Study 22 on global cooperative and non-cooperative climate policies. In the former, efficient transition paths are implemented including technology Research and Development effort, energy conservation programs, and price signals for greenhouse gas (GHG) emissions. In the non-cooperative case, some countries try to relax their regulations and be free riders. Total emissions and costs are higher in the non-cooperative scenario. The simulations, including climate impacts, run to the year 2100. We use the Argonne AMIGA-MARS economic-energy systems model, the Texas AM University's Forest and Agricultural Sector Optimization Model (FASOM), and the University of Illinois's Integrated Science Assessment Model (ISAM), with offline coupling between the FASOM and AMIGA-MARS and an online coupling between AMIGA-MARS and ISAM. This set of models captures the interaction of terrestrial systems, land use, crops and forests, climate change, human activity, and energy systems. Our scenario simulations represent dynamic paths over which all the climate, terrestrial, economic, and energy technology equations are solved simultaneously Special attention is paid to biofuels and how they interact with conventional gasoline/diesel fuel markets. Possible low-carbon penetration paths are based on estimated costs for new technologies, including cellulosic biomass, coal-to-liquids, plug-in electric vehicles, solar and nuclear energy. We explicitly explore key uncertainties that affect mitigation and adaptation scenarios.

  9. The Canadian Centre for Climate Modelling and Analysis global coupled model and its climate

    Energy Technology Data Exchange (ETDEWEB)

    Flato, G.M.; Boer, G.J.; Lee, W.G.; McFarlane, N.A.; Ramsden, D.; Reader, M.C. [Canadian Centre for Climate Modelling and Analysis, Victoria, BC (Canada); Weaver, A.J. [School of Earth and Ocean Sciences, University of Victoria, BC (Canada)

    2000-06-01

    A global, three-dimensional climate model, developed by coupling the CCCma second-generation atmospheric general circulation model (GCM2) to a version of the GFDL modular ocean model (MOM1), forms the basis for extended simulations of past, current and projected future climate. The spin-up and coupling procedures are described, as is the resulting climate based on a 200 year model simulation with constant atmospheric composition and external forcing. The simulated climate is systematically compared to available observations in terms of mean climate quantities and their spatial patterns, temporal variability, and regional behavior. Such comparison demonstrates a generally successful reproduction of the broad features of mean climate quantities, albeit with local discrepancies. Variability is generally well-simulated over land, but somewhat underestimated in the tropical ocean and the extratropical storm-track regions. The modelled climate state shows only small trends, indicating a reasonable level of balance at the surface, which is achieved in part by the use of heat and freshwater flux adjustments. The control simulation provides a basis against which to compare simulated climate change due to historical and projected greenhouse gas and aerosol forcing as described in companion publications. (orig.)

  10. Interface model coupling in fluid dynamics: application to two-phase flows

    International Nuclear Information System (INIS)

    Galie, Th.

    2009-03-01

    This thesis is devoted to the study of interface model coupling problems in space between different models of compressible flows. We consider one-dimensional problems where the interface is sharp, fixed and separating two regions of space corresponding to the two coupled models. Our goal is to define a coupling condition at the interface and to solve numerically the coupling problem with this condition. After a state of art on the interface model coupling of hyperbolic systems of conservation laws, we propose a new coupling condition by adding in the equations of the coupled problem a measure source term at the interface. We first suppose a given constant weight associated to this source term. Two Riemann solvers are developed and one of them is based on a relaxation approach preserving equilibrium solutions of the coupled problem. This relaxation method is then used in an optimization problem, defined by several motivations at the interface, which permits to calculate a time dynamical weight. In a second part, we develop an approached Riemann solver for a two-phase two-pressure model in the particular case of a two-phase isentropic flow. Such a model contains non conservative terms that we write under the form of measure source terms. The previous relaxation method is thus extended to the case of the two-phase two-pressure model with an a priori estimation of the non conservative term contributions. The method allows us to solve, in the next and last chapter, the coupling problem of a two-fluid two-pressure model with a drift-flux model thanks to the father model approach. (authors)

  11. A Coupled Helicopter Rotor/Fuselage Dynamics Model Using Finite Element Multi-body

    Directory of Open Access Journals (Sweden)

    Cheng Qi-you

    2016-01-01

    Full Text Available To develop a coupled rotor/flexible fuselage model for vibration reduction studies, the equation of coupled rotor-fuselage is set up based on the theory of multi-body dynamics, and the dynamic analysis model is established with the software MSC.ADMAS and MSC.NASTRAN. The frequencies and vibration acceleration responses of the system are calculated with the model of coupled rotor-fuselage, and the results are compared with those of uncoupled modeling method. Analysis results showed that compared with uncoupled model, the dynamic characteristic obtained by the model of coupled rotor-fuselage are some different. The intrinsic frequency of rotor is increased with the increase of rotational velocities. The results also show that the flying speed has obvious influence on the vibration acceleration responses of the fuselage. The vibration acceleration response in the vertical direction is much higher at the low speed and high speed flight conditions.

  12. Coupled model of INM-IO global ocean model, CICE sea ice model and SCM OIAS framework

    Science.gov (United States)

    Bayburin, Ruslan; Rashit, Ibrayev; Konstantin, Ushakov; Vladimir, Kalmykov; Gleb, Dyakonov

    2015-04-01

    Status of coupled Arctic model of ocean and sea ice is presented. Model consists of INM IO global ocean component of high resolution, Los Alamos National Laboratory CICE sea ice model and a framework SCM OIAS for the ocean-ice-atmosphere-land coupled modeling on massively-parallel architectures. Model is currently under development at the Institute of Numerical Mathematics (INM), Hydrometeorological Center (HMC) and P.P. Shirshov Institute of Oceanology (IO). Model is aimed at modeling of intra-annual variability of hydrodynamics in Arctic and. The computational characteristics of the world ocean-sea ice coupled model governed by SCM OIAS are presented. The model is parallelized using MPI technologies and currently can use efficiently up to 5000 cores. Details of programming implementation, computational configuration and physical phenomena parametrization are analyzed in terms of intercoupling complex. Results of five year computational experiment of sea ice, snow and ocean state evolution in Arctic region on tripole grid with horizontal resolution of 3-5 kilometers, closed by atmospheric forcing field from repeating "normal" annual course taken from CORE1 experiment data base are presented and analyzed in terms of the state of vorticity and warm Atlantic water expansion.

  13. Coupled Dynamic Modeling of Floating Wind Turbine Systems: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Wayman, E. N.; Sclavounos, P. D.; Butterfield, S.; Jonkman, J.; Musial, W.

    2006-03-01

    This article presents a collaborative research program that the Massachusetts Institute of Technology (MIT) and the National Renewable Energy Laboratory (NREL) have undertaken to develop innovative and cost-effective floating and mooring systems for offshore wind turbines in water depths of 10-200 m. Methods for the coupled structural, hydrodynamic, and aerodynamic analysis of floating wind turbine systems are presented in the frequency domain. This analysis was conducted by coupling the aerodynamics and structural dynamics code FAST [4] developed at NREL with the wave load and response simulation code WAMIT (Wave Analysis at MIT) [15] developed at MIT. Analysis tools were developed to consider coupled interactions between the wind turbine and the floating system. These include the gyroscopic loads of the wind turbine rotor on the tower and floater, the aerodynamic damping introduced by the wind turbine rotor, the hydrodynamic damping introduced by wave-body interactions, and the hydrodynamic forces caused by wave excitation. Analyses were conducted for two floater concepts coupled with the NREL 5-MW Offshore Baseline wind turbine in water depths of 10-200 m: the MIT/NREL Shallow Drafted Barge (SDB) and the MIT/NREL Tension Leg Platform (TLP). These concepts were chosen to represent two different methods of achieving stability to identify differences in performance and cost of the different stability methods. The static and dynamic analyses of these structures evaluate the systems' responses to wave excitation at a range of frequencies, the systems' natural frequencies, and the standard deviations of the systems' motions in each degree of freedom in various wind and wave environments. This article in various wind and wave environments. This article explores the effects of coupling the wind turbine with the floating platform, the effects of water depth, and the effects of wind speed on the systems' performance. An economic feasibility analysis of

  14. Dynamics modeling for a rigid-flexible coupling system with nonlinear deformation field

    International Nuclear Information System (INIS)

    Deng Fengyan; He Xingsuo; Li Liang; Zhang Juan

    2007-01-01

    In this paper, a moving flexible beam, which incorporates the effect of the geometrically nonlinear kinematics of deformation, is investigated. Considering the second-order coupling terms of deformation in the longitudinal and transverse deflections, the exact nonlinear strain-displacement relations for a beam element are described. The shear strains formulated by the present modeling method in this paper are zero, so it is reasonable to use geometrically nonlinear deformation fields to demonstrate and simplify a flexible beam undergoing large overall motions. Then, considering the coupling terms of deformation in two dimensions, finite element shape functions of a beam element and Lagrange's equations are employed for deriving the coupling dynamical formulations. The complete expression of the stiffness matrix and all coupling terms are included in the formulations. A model consisting of a rotating planar flexible beam is presented. Then the frequency and dynamical response are studied, and the differences among the zero-order model, first-order coupling model and the new present model are discussed. Numerical examples demonstrate that a 'stiffening beam' can be obtained, when more coupling terms of deformation are added to the longitudinal and transverse deformation field. It is shown that the traditional zero-order and first-order coupling models may not provide an exact dynamic model in some cases

  15. Coupling of the PISCES device modeler to a 3-D Maxwell FDTD solver

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, V.A.; Jones, M.E.; Mason, R.J. [Los Alamos National Lab., NM (United States)

    1995-09-01

    The authors show how PISCES-like semiconductor models can be joined non-invasively to finite difference time domain models for the calculation of coupled external electromagnetics. The method involves tricking the standard current boundary condition for the device model into accepting an effective parallel external capacitance. For nearly steady state device conditions the authors show the results for a transmission line-coupled PISCES diode to agree well with those for an ideal diode.

  16. A classical-quantum coupling strategy for a hierarchy of one dimensional models for semiconductors

    OpenAIRE

    Jourdana, Clément; Pietra, Paola; Vauchelet, Nicolas

    2014-01-01

    We consider one dimensional coupled classical-quantum models for quantum semiconductor device simulations. The coupling occurs in the space variable : the domain of the device is divided into a region with strong quantum effects (quantum zone) and a region where quantum effects are negligible (classical zone). In the classical zone, transport in diffusive approximation is modeled through diffusive limits of the Boltzmann transport equation. This leads to a hierarchy of classical model. The qu...

  17. Uncertainty in parameterisation and model structure affect simulation results in coupled ecohydrological models

    Directory of Open Access Journals (Sweden)

    S. Arnold

    2009-10-01

    Full Text Available In this paper we develop and apply a conceptual ecohydrological model to investigate the effects of model structure and parameter uncertainty on the simulation of vegetation structure and hydrological dynamics. The model is applied for a typical water limited riparian ecosystem along an ephemeral river: the middle section of the Kuiseb River in Namibia. We modelled this system by coupling an ecological model with a conceptual hydrological model. The hydrological model is storage based with stochastical forcing from the flood. The ecosystem is modelled with a population model, and represents three dominating riparian plant populations. In appreciation of uncertainty about population dynamics, we applied three model versions with increasing complexity. Population parameters were found by Latin hypercube sampling of the parameter space and with the constraint that three species should coexist as observed. Two of the three models were able to reproduce the observed coexistence. However, both models relied on different coexistence mechanisms, and reacted differently to change of long term memory in the flood forcing. The coexistence requirement strongly constrained the parameter space for both successful models. Only very few parameter sets (0.5% of 150 000 samples allowed for coexistence in a representative number of repeated simulations (at least 10 out of 100 and the success of the coexistence mechanism was controlled by the combination of population parameters. The ensemble statistics of average values of hydrologic variables like transpiration and depth to ground water were similar for both models, suggesting that they were mainly controlled by the applied hydrological model. The ensemble statistics of the fluctuations of depth to groundwater and transpiration, however, differed significantly, suggesting that they were controlled by the applied ecological model and coexistence mechanisms. Our study emphasizes that uncertainty about ecosystem

  18. Initial conditions and ENSO prediction using a coupled ocean-atmosphere model

    Science.gov (United States)

    Larow, T. E.; Krishnamurti, T. N.

    1998-01-01

    A coupled ocean-atmosphere initialization scheme using Newtonian relaxation has been developed for the Florida State University coupled ocean-atmosphere global general circulation model. The initialization scheme is used to initialize the coupled model for seasonal forecasting the boreal summers of 1987 and 1988. The atmosphere model is a modified version of the Florida State University global spectral model, resolution T-42. The ocean general circulation model consists of a slightly modified version of the Hamburg's climate group model described in Latif (1987) and Latif et al. (1993). The coupling is synchronous with information exchanged every two model hours. Using ECMWF atmospheric daily analysis and observed monthly mean SSTs, two, 1-year, time-dependent, Newtonian relaxation were performed using the coupled model prior to conducting the seasonal forecasts. The coupled initializations were conducted from 1 June 1986 to 1 June 1987 and from 1 June 1987 to 1 June 1988. Newtonian relaxation was applied to the prognostic atmospheric vorticity, divergence, temperature and dew point depression equations. In the ocean model the relaxation was applied to the surface temperature. Two, 10-member ensemble integrations were conducted to examine the impact of the coupled initialization on the seasonal forecasts. The initial conditions used for the ensembles are the ocean's final state after the initialization and the atmospheric initial conditions are ECMWF analysis. Examination of the SST root mean square error and anomaly correlations between observed and forecasted SSTs in the Niño-3 and Niño-4 regions for the 2 seasonal forecasts, show closer agreement between the initialized forecast than two, 10-member non-initialized ensemble forecasts. The main conclusion here is that a single forecast with the coupled initialization outperforms, in SST anomaly prediction, against each of the control forecasts (members of the ensemble) which do not include such an initialization

  19. Temperature-dependent conformations of exciton-coupled Cy3 dimers in double-stranded DNA

    Science.gov (United States)

    Kringle, Loni; Sawaya, Nicolas P. D.; Widom, Julia; Adams, Carson; Raymer, Michael G.; Aspuru-Guzik, Alán; Marcus, Andrew H.

    2018-02-01

    Understanding the properties of electronically interacting molecular chromophores, which involve internally coupled electronic-vibrational motions, is important to the spectroscopy of many biologically relevant systems. Here we apply linear absorption, circular dichroism, and two-dimensional fluorescence spectroscopy to study the polarized collective excitations of excitonically coupled cyanine dimers (Cy3)2 that are rigidly positioned within the opposing sugar-phosphate backbones of the double-stranded region of a double-stranded (ds)-single-stranded (ss) DNA fork construct. We show that the exciton-coupling strength of the (Cy3)2-DNA construct can be systematically varied with temperature below the ds-ss DNA denaturation transition. We interpret spectroscopic measurements in terms of the Holstein vibronic dimer model, from which we obtain information about the local conformation of the (Cy3)2 dimer, as well as the degree of static disorder experienced by the Cy3 monomer and the (Cy3)2 dimer probe locally within their respective DNA duplex environments. The properties of the (Cy3)2-DNA construct we determine suggest that it may be employed as a useful model system to test fundamental concepts of protein-DNA interactions and the role of electronic-vibrational coherence in electronic energy migration within exciton-coupled bio-molecular arrays.

  20. On the sub-model errors of a generalized one-way coupling scheme for linking models at different scales

    Science.gov (United States)

    Zeng, Jicai; Zha, Yuanyuan; Zhang, Yonggen; Shi, Liangsheng; Zhu, Yan; Yang, Jinzhong

    2017-11-01

    Multi-scale modeling of the localized groundwater flow problems in a large-scale aquifer has been extensively investigated under the context of cost-benefit controversy. An alternative is to couple the parent and child models with different spatial and temporal scales, which may result in non-trivial sub-model errors in the local areas of interest. Basically, such errors in the child models originate from the deficiency in the coupling methods, as well as from the inadequacy in the spatial and temporal discretizations of the parent and child models. In this study, we investigate the sub-model errors within a generalized one-way coupling scheme given its numerical stability and efficiency, which enables more flexibility in choosing sub-models. To couple the models at different scales, the head solution at parent scale is delivered downward onto the child boundary nodes by means of the spatial and temporal head interpolation approaches. The efficiency of the coupling model is improved either by refining the grid or time step size in the parent and child models, or by carefully locating the sub-model boundary nodes. The temporal truncation errors in the sub-models can be significantly reduced by the adaptive local time-stepping scheme. The generalized one-way coupling scheme is promising to handle the multi-scale groundwater flow problems with complex stresses and heterogeneity.

  1. Extending the reach of strong-coupling: an iterative technique for Hamiltonian lattice models

    International Nuclear Information System (INIS)

    Alberty, J.; Greensite, J.; Patkos, A.

    1983-12-01

    The authors propose an iterative method for doing lattice strong-coupling-like calculations in a range of medium to weak couplings. The method is a modified Lanczos scheme, with greatly improved convergence properties. The technique is tested on the Mathieu equation and on a Hamiltonian finite-chain XY model, with excellent results. (Auth.)

  2. A simple 1D model with thermomechanical coupling for superelastic SMAs

    International Nuclear Information System (INIS)

    Zaki, W; Morin, C; Moumni, Z

    2010-01-01

    This paper presents an outline for a new uniaxial model for shape memory alloys that accounts for thermomechanical coupling. The coupling provides an explanation of the dependence of SMA behavior on the loading rate. 1D simulations are carried in Matlab using simple finite-difference discretization of the mechanical and thermal equations.

  3. Dynamic of Ising model with transverse field for two coupled sublattices in disordered phase

    International Nuclear Information System (INIS)

    Sa Motta, C.E.H. de.

    1984-02-01

    The dynamics of the two coupled sublattices tridimensional Ising model in a transverse field was studied by means of a continued fraction expansion for coupled operators. The static Correlation Functions necessary for studying the dynamics were calculated with the Green's Functions Method in the Random Phase Approximation (RPA). The spectral function was calculated in the region T c → . (Author) [pt

  4. A surface diffuse scattering model for the mobility of electrons in surface charge coupled devices

    International Nuclear Information System (INIS)

    Ionescu, M.

    1977-01-01

    An analytical model for the mobility of electrons in surface charge coupled devices is studied on the basis of the results previously obtained, considering a surface diffuse scattering; the importance of the results obtained for a better understanding of the influence of the fringing field in surface charge coupled devices is discussed. (author)

  5. Modelling the artic stable boundary layer and its coupling to the surface

    NARCIS (Netherlands)

    Steeneveld, G.J.; Wiel, van de B.J.H.; Holtslag, A.A.M.

    2006-01-01

    The impact of coupling the atmosphere to the surface energy balance is examined for the stable boundary layer, as an extension of the first GABLS (GEWEX Atmospheric Boundary-Layer Study) one-dimensional model intercomparison. This coupling is of major importance for the stable boundary-layer

  6. A new elastic model for ground coupling of geophones with spikes

    NARCIS (Netherlands)

    Drijkoningen, G.G.; Rademakers, F.; Slob, E.C.; Fokkema, J.T.

    2006-01-01

    Ground coupling are terms that describe the transfer from seismic ground motion to the motion of a geophone. In previous models, ground coupling was mainly considered as a disk lying on top of a half-space, not considering the fact that in current practice geophones are spiked and are buried for

  7. The top right coupling in the aligned two-Higgs-doublet model

    Energy Technology Data Exchange (ETDEWEB)

    Ayala, Cesar [Departament de Física Teòrica, Universitat de València & Instituto de Física Corpuscular (IFIC),Centro Mixto Universitat de València-CSIC,E-46100 Burjassot, València (Spain); Department of Physics, Universidad Técnica Federico Santa María,Casilla 110-V, Valparaíso (Chile); González-Sprinberg, Gabriel A. [Instituto de Física, Facultad de Ciencias, Universidad de la República,Iguá 4225, Montevideo 11600 (Uruguay); Martinez, R. [Departamento de Física, Universidad Nacional de Colombia,Bogotá Distrito Capital (Colombia); Vidal, Jordi [Departament de Física Teòrica, Universitat de València & Instituto de Física Corpuscular (IFIC),Centro Mixto Universitat de València-CSIC,E-46100 Burjassot, València (Spain)

    2017-03-24

    We compute the top quark right coupling in the aligned two-Higgs-doublet model. In the Standard Model the real part of this coupling is dominated by QCD-gluon-exchange diagram, but the imaginary part, instead, is purely electroweak at one loop. Within this model we show that values for the imaginary part of the coupling up to one order of magnitude larger than the electroweak prediction can be obtained. For the real part of the electroweak contribution we find that it can be of the order of 2×10{sup −4}. We also present detailed results of the one loop analytical computation.

  8. Numerical Analysis of a Class of THM Coupled Model for Porous Materials

    Science.gov (United States)

    Liu, Tangwei; Zhou, Jingying; Lu, Hongzhi

    2018-01-01

    We consider the coupled models of the Thermo-hydro-mechanical (THM) problem for porous materials which arises in many engineering applications. Firstly, mathematical models of the THM coupled problem for porous materials were discussed. Secondly, for different cases, some numerical difference schemes of coupled model were constructed, respectively. Finally, aassuming that the original water vapour effect is neglectable and that the volume fraction of liquid phase and the solid phase are constants, the nonlinear equations can be reduced to linear equations. The discrete equations corresponding to the linear equations were solved by the Arnodli method.

  9. Towards a regional climate model coupled to a comprehensive hydrological model

    Science.gov (United States)

    Rasmussen, S. H.; Drews, M.; Christensen, J. H.; Butts, M. B.; Jensen, K. H.; Refsgaard, J.; Hydrological ModellingAssessing Climate Change Impacts At Different Scales (Hyacints)

    2010-12-01

    When planing new ground water abstractions wells, building areas, roads or other land use activities information about expected future groundwater table location for the lifetime of the construction may be critical. The life time of an abstraction well can be expected to be more than 50 years, while if for buildings may be up to 100 years or more. The construction of an abstraction well is expensive and it is important to know if clean groundwater is available for its expected life time. The future groundwater table is depending on the future climate. With climate change the hydrology is expected to change as well. Traditionally, this assessment has been done by driving hydrological models with output from a climate model. In this way feedback between the groundwater hydrology and the climate is neglected. Neglecting this feedback can lead to imprecise or wrong results. The goal of this work is to couple the regional climate model HIRHAM (Christensen et al. 2006) to the hydrological model MIKE SHE (Graham and Butts, 2006). The coupling exploits the new OpenMI technology that provides a standardized interface to define, describe and transfer data on a time step basis between software components that run simultaneously (Gregersen et al., 2007). HIRHAM runs on a UNIX platform whereas MIKE SHE and OpenMI are under WINDOWS. Therefore the first critical task has been to develop an effective communication link between the platforms. The first step towards assessing the coupled models performance are addressed by looking at simulated land-surface atmosphere feedback through variables such as evapotranspiration, sensible heat flux and soil moisture content. Christensen, O.B., Drews, M., Christensen, J.H., Dethloff, K., Ketelsen, K., Hebestadt, I. and Rinke, A. (2006) The HIRHAM Regional Climate Model. Version 5; DMI Scientific Report 0617. Danish Meteorological Institute. Graham, D.N. and Butts, M.B. (2005) Flexible, integrated watershed modelling with MIKE SHE, In

  10. Strong self-coupling expansion in the lattice-regularized standard SU(2) Higgs model

    International Nuclear Information System (INIS)

    Decker, K.; Weisz, P.; Montvay, I.

    1985-11-01

    Expectation values at an arbitrary point of the 3-dimensional coupling parameter space in the lattice-regularized SU(2) Higgs-model with a doublet scalar field are expressed by a series of expectation values at infinite self-coupling (lambda=infinite). Questions of convergence of this 'strong self-coupling expansion' (SSCE) are investigated. The SSCE is a potentially useful tool for the study of the lambda-dependence at any value (zero or non-zero) of the bare gauge coupling. (orig.)

  11. Strong self-coupling expansion in the lattice-regularized standard SU(2) Higgs model

    International Nuclear Information System (INIS)

    Decker, K.; Weisz, P.

    1986-01-01

    Expectation values at an arbitrary point of the 3-dimensional coupling parameter space in the lattice-regularized SU(2) Higgs model with a doublet scalar field are expressed by a series of expectation values at infinite self-coupling (lambda=infinite). Questions of convergence of this ''strong self-coupling expansion'' (SSCE) are investigated. The SSCE is a potentially useful tool for the study of the lambda-dependence at any value (zero or non-zero) of the bare gauge coupling. (orig.)

  12. The phonon-coupling model for Skyrme forces

    Energy Technology Data Exchange (ETDEWEB)

    Lyutorovich, N.; Tselyaev, V. [St. Petersburg State University (Russian Federation); Speth, J., E-mail: J.Speth@fz-juelich.de; Krewald, S. [Forschungszentrum Jülich, Institut für Kernphysik (Germany); Reinhard, P.-G. [Universität Erlangen-Nürnberg, Institut für Theoretische Physik II (Germany)

    2016-11-15

    A short review on the self-consistent RPA based on the energy-density functional of the Skyrme type is given. We also present an extension of the RPA where the coupling of phonons to the single-particle states is considered. Within this approach we present numerical results which are compared with data. The self-consistent approach is compared with the Landau–Migdal theory. Here we derive from the self-consistent ph interaction, the Landau–Migdal parameters as well as their density dependence. In the Appendix a new derivation of the reduced matrix elements of the ph interaction is presented.

  13. Integrated climate and hydrology modelling - Coupling of the HIRHAM regional climate model and the MIKE SHE hydrological model

    Energy Technology Data Exchange (ETDEWEB)

    Dahl Larsen, M.A. [Technical Univ. of Denmark. DTU Management Engineering, DTU Risoe Campus, Roskilde (Denmark)

    2013-10-15

    To ensure optimal management and sustainable strategies for water resources, infrastructures, food production and ecosystems there is a need for an improved understanding of feedback and interaction mechanisms between the atmosphere and the land surface. This is especially true in light of expected global warming and increased frequency of extreme events. The skill in developing projections of both the present and future climate depends essentially on the ability to numerically simulate the processes of atmospheric circulation, hydrology, energy and ecology. Previous modelling efforts of climate and hydrology have used each model component in an offline mode where the models are run in sequential steps and one model serves as a boundary condition or data input source to the other. Within recent years a new field of research has emerged where efforts have been made to dynamically couple existing climate and hydrology models to more directly include the interaction between the atmosphere and the land surface. The present PhD study is motivated by an ambition of developing and applying a modelling tool capable of including the interaction and feedback mechanisms between the atmosphere and the land surface. The modelling tool consists of a fully dynamic two-way coupling of the HIRHAM regional climate model and the MIKE SHE hydrological model. The expected gain is twofold. Firstly, HIRHAM utilizes the land surface component of the combined MIKE SHE/SWET hydrology and land surface model (LSM), which is superior to the LSM in HIRHAM. A wider range of processes are included at the land surface, subsurface flow is distributed in three dimensions and the temporal and spatial resolution is higher. Secondly, the feedback mechanisms of e.g. soil moisture and precipitation between the two models are included. The preparation of the HIRHAM and MIKE SHE models for the coupled study revealed several findings. The performance of HIRHAM was highly affected by the domain size, domain

  14. 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.

  15. A three-dimensional coupled thermo-hydro-mechanical model for deformable fractured geothermal systems

    DEFF Research Database (Denmark)

    Salimzadeh, Saeed; Paluszny, Adriana; Nick, Hamidreza M.

    2018-01-01

    A fully coupled thermal-hydraulic-mechanical (THM) finite element model is presented for fractured geothermal reservoirs. Fractures are modelled as surface discontinuities within a three-dimensional matrix. Non-isothermal flow through the rock matrix and fractures are defined and coupled to a mec......A fully coupled thermal-hydraulic-mechanical (THM) finite element model is presented for fractured geothermal reservoirs. Fractures are modelled as surface discontinuities within a three-dimensional matrix. Non-isothermal flow through the rock matrix and fractures are defined and coupled....... The model has been validated against several analytical solutions, and applied to study the effects of the deformable fractures on the injection of cold water in fractured geothermal systems. Results show that the creation of flow channelling due to the thermal volumetric contraction of the rock matrix...

  16. From global circulation to flood loss: Coupling models across the scales

    Science.gov (United States)

    Felder, Guido; Gomez-Navarro, Juan Jose; Bozhinova, Denica; Zischg, Andreas; Raible, Christoph C.; Ole, Roessler; Martius, Olivia; Weingartner, Rolf

    2017-04-01

    The prediction and the prevention of flood losses requires an extensive understanding of underlying meteorological, hydrological, hydraulic and damage processes. Coupled models help to improve the understanding of such underlying processes and therefore contribute the understanding of flood risk. Using such a modelling approach to determine potentially flood-affected areas and damages requires a complex coupling between several models operating at different spatial and temporal scales. Although the isolated parts of the single modelling components are well established and commonly used in the literature, a full coupling including a mesoscale meteorological model driven by a global circulation one, a hydrologic model, a hydrodynamic model and a flood impact and loss model has not been reported so far. In the present study, we tackle the application of such a coupled model chain in terms of computational resources, scale effects, and model performance. From a technical point of view, results show the general applicability of such a coupled model, as well as good model performance. From a practical point of view, such an approach enables the prediction of flood-induced damages, although some future challenges have been identified.

  17. Application of Mortar Coupling in Multiscale Modelling of Coupled Flow, Transport, and Biofilm Growth in Porous Media

    Science.gov (United States)

    Laleian, A.; Valocchi, A. J.; Werth, C. J.

    2017-12-01

    Multiscale models of reactive transport in porous media are capable of capturing complex pore-scale processes while leveraging the efficiency of continuum-scale models. In particular, porosity changes caused by biofilm development yield complex feedbacks between transport and reaction that are difficult to quantify at the continuum scale. Pore-scale models, needed to accurately resolve these dynamics, are often impractical for applications due to their computational cost. To address this challenge, we are developing a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled with a mortar method providing continuity at interfaces. We explore two decompositions of coupled pore-scale and continuum-scale regions to study biofilm growth in a transverse mixing zone. In the first decomposition, all reaction is confined to a pore-scale region extending the transverse mixing zone length. Only solute transport occurs in the surrounding continuum-scale regions. Relative to a fully pore-scale result, we find the multiscale model with this decomposition has a reduced run time and consistent result in terms of biofilm growth and solute utilization. In the second decomposition, reaction occurs in both an up-gradient pore-scale region and a down-gradient continuum-scale region. To quantify clogging, the continuum-scale model implements empirical relations between porosity and continuum-scale parameters, such as permeability and the transverse dispersion coefficient. Solutes are sufficiently mixed at the end of the pore-scale region, such that the initial reaction rate is accurately computed using averaged concentrations in the continuum-scale region. Relative to a fully pore-scale result, we find accuracy of biomass growth in the multiscale model with this decomposition improves as the interface between pore-scale and continuum-scale regions moves downgradient where transverse mixing is more fully developed. Also, this

  18. Wind waves modelling on the water body with coupled WRF and WAVEWATCH III models

    Science.gov (United States)

    Kuznetsova, Alexandra; Troitskaya, Yuliya; Kandaurov, Alexander; Baydakov, Georgy; Vdovin, Maxim; Papko, Vladislav; Sergeev, Daniil

    2015-04-01

    Simulation of ocean and sea waves is an accepted instrument for the improvement of the weather forecasts. Wave modelling, coupled models modelling is applied to open seas [1] and is less developed for moderate and small inland water reservoirs and lakes, though being of considerable interest for inland navigation. Our goal is to tune the WAVEWATCH III model to the conditions of the inland reservoir and to carry out the simulations of surface wind waves with coupled WRF (Weather Research and Forecasting) and WAVEWATCH III models. Gorky Reservoir, an artificial lake in the central part of the Volga River formed by a hydroelectric dam, was considered as an example of inland reservoir. Comparing to [2] where moderate constant winds (u10 is up to 9 m/s) of different directions blowing steadily all over the surface of the reservoir were considered, here we apply atmospheric model WRF to get wind input to WAVEWATCH III. WRF computations were held on the Yellowstone supercomputer for 4 nested domains with minimum scale of 1 km. WAVEWATCH III model was tuned for the conditions of the Gorky Reservoir. Satellite topographic data on altitudes ranged from 56,6° N to 57,5° N and from 42.9° E to 43.5° E with increments 0,00833 ° in both directions was used. 31 frequencies ranged from 0,2 Hz to 4 Hz and 30 directions were considered. The minimal significant wave height was changed to the lower one. The waves in the model were developing from some initial seeding spectral distribution (Gaussian in frequency and space, cosine in direction). The range of the observed significant wave height in the numerical experiment was from less than 1 cm up to 30 cm. The field experiments were carried out in the south part of the Gorky reservoir from the boat [2, 3]. 1-D spectra of the field experiment were compared with those obtained in the numerical experiments with different parameterizations of flux provided in WAVEWATCH III both with constant wind input and WRF wind input. For all the

  19. Strongly coupled semiclassical plasma: interaction model and some properties

    International Nuclear Information System (INIS)

    Baimbetov, N.F.; Bekenov, N.A.

    1999-01-01

    In the report a fully ionized strongly coupled hydrogen plasma is considered. The density number is considered within range n=n e =n i ≅(10 21 -2·10 25 )sm -3 , and the temperature domian is T≅(5·10 4 -10 6 ) K. The coupling parameter Γ is defined by Γ=e 2 /αk B T, where k B is the Boltzmann constant and e is electrical charge, α=(3/4πn) 1/3 is the average distance between the particles (Wigner-Seitz radius). The dimensionless density parameter r s =α/α B is given in terms of the Bohr radius α B =ℎ 2 /me 2 ∼0.529·10 - 8 sm. The degeneracy parameter for the electron was defined by the ratio between the thermal energy k B T and the Fermi energy E F :Θ=k B T/E F ∼0.54·r s /Γ. The intermediate temperature-density region, where Γ≥1; Θ≅1; T>13.6 eV is examined. A semiclassical effective potential which account for the short-range, quantum diffraction and symmetry effects of charge carriers screening

  20. Online coupled regional meteorology chemistry models in Europe : Current status and prospects

    NARCIS (Netherlands)

    Baklanov, A.; Schlünzen, K.; Suppan, P.; Baldasano, J.; Brunner, D.; Aksoyoglu, S.; Carmichael, G.; Douros, J.; Flemming, J.; Forkel, R.; Galmarini, S.; Gauss, M.; Grell, G.; Hirtl, M.; Joffre, S.; Jorba, O.; Kaas, E.; Kaasik, M.; Kallos, G.; Kong, X.; Korsholm, U.; Kurganskiy, A.; Kushta, J.; Lohmann, U.; Mahura, A.; Manders-Groot, A.; Maurizi, A.; Moussiopoulos, N.; Rao, S.T.; Savage, N.; Seigneur, C.; Sokhi, R.S.; Solazzo, E.; Solomos, S.; Sørensen, B.; Tsegas, G.; Vignati, E.; Vogel, B.; Zhang, Y.

    2014-01-01

    Online coupled mesoscale meteorology atmospheric chemistry models have undergone a rapid evolution in recent years. Although mainly developed by the air quality modelling community, these models are also of interest for numerical weather prediction and regional climate modelling as they can consider

  1. The Hintermann-Merlini-Baxter-Wu and the infinite-coupling-limit Ashkin-Teller models

    Energy Technology Data Exchange (ETDEWEB)

    Huang Yuan, E-mail: huangy22@mail.ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Deng Youjin, E-mail: yjdeng@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Jacobsen, Jesper Lykke, E-mail: jacobsen@lpt.ens.fr [Laboratoire de Physique Theorique, Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris (France); Universite Pierre et Marie Curie, 4 place Jussieu, 75252 Paris (France); Salas, Jesus, E-mail: jsalas@math.uc3m.es [Grupo de Modelizacion, Simulacion Numerica y Matematica Industrial, Universidad Carlos III de Madrid, Avda. de la Universidad 30, 28911 Leganes (Spain); Grupo de Teorias de Campos y Fisica Estadistica, Instituto Gregorio Millan, Universidad Carlos III de Madrid, Unidad asociada al IEM-CSIC, Madrid (Spain)

    2013-03-11

    We show how the Hintermann-Merlini-Baxter-Wu model (which is a generalization of the well-known Baxter-Wu model to a general Eulerian triangulation) can be mapped onto a particular infinite-coupling-limit of the Ashkin-Teller model. We work out some mappings among these models, also including the standard and mixed Ashkin-Teller models. Finally, we compute the phase diagram of the infinite-coupling-limit Ashkin-Teller model on the square, triangular, hexagonal, and kagome lattices.

  2. An efficient hydro-mechanical model for coupled multi-porosity and discrete fracture porous media

    Science.gov (United States)

    Yan, Xia; Huang, Zhaoqin; Yao, Jun; Li, Yang; Fan, Dongyan; Zhang, Kai

    2018-02-01

    In this paper, a numerical model is developed for coupled analysis of deforming fractured porous media with multiscale fractures. In this model, the macro-fractures are modeled explicitly by the embedded discrete fracture model, and the supporting effects of fluid and fillings in these fractures are represented explicitly in the geomechanics model. On the other hand, matrix and micro-fractures are modeled by a multi-porosity model, which aims to accurately describe the transient matrix-fracture fluid exchange process. A stabilized extended finite element method scheme is developed based on the polynomial pressure projection technique to address the displacement oscillation along macro-fracture boundaries. After that, the mixed space discretization and modified fixed stress sequential implicit methods based on non-matching grids are applied to solve the coupling model. Finally, we demonstrate the accuracy and application of the proposed method to capture the coupled hydro-mechanical impacts of multiscale fractures on fractured porous media.

  3. 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.

  4. Coupling hydrological modeling and support vector regression to model hydropeaking in alpine catchments.

    Science.gov (United States)

    Chiogna, Gabriele; Marcolini, Giorgia; Liu, Wanying; Pérez Ciria, Teresa; Tuo, Ye

    2018-08-15

    Water management in the alpine region has an important impact on streamflow. In particular, hydropower production is known to cause hydropeaking i.e., sudden fluctuations in river stage caused by the release or storage of water in artificial reservoirs. Modeling hydropeaking with hydrological models, such as the Soil Water Assessment Tool (SWAT), requires knowledge of reservoir management rules. These data are often not available since they are sensitive information belonging to hydropower production companies. In this short communication, we propose to couple the results of a calibrated hydrological model with a machine learning method to reproduce hydropeaking without requiring the knowledge of the actual reservoir management operation. We trained a support vector machine (SVM) with SWAT model outputs, the day of the week and the energy price. We tested the model for the Upper Adige river basin in North-East Italy. A wavelet analysis showed that energy price has a significant influence on river discharge, and a wavelet coherence analysis demonstrated the improved performance of the SVM model in comparison to the SWAT model alone. The SVM model was also able to capture the fluctuations in streamflow caused by hydropeaking when both energy price and river discharge displayed a complex temporal dynamic. Copyright © 2018 Elsevier B.V. All rights reserved.

  5. Numerical modelling of ductile damage mechanics coupled with an unconventional plasticity model

    Directory of Open Access Journals (Sweden)

    R. Fincato

    2016-10-01

    Full Text Available Ductility in metals includes the material’s capability to tolerate plastic deformations before partial or total degradation of its mechanical properties. Modelling this parameter is important in structure and component design because it can be used to estimate material failure under a generic multi-axial stress state. Previous work has attempted to provide accurate descriptions of the mechanical property degradation resulting from the formation, growth, and coalescence of microvoids in the medium. Experimentally, ductile damage is inherently linked with the accumulation of plastic strain; therefore, coupling damage and elastoplasticity is necessary for describing this phenomenon accurately. In this paper, we combine the approach proposed by Lemaitre with the features of an unconventional plasticity model, the extended subloading surface model, to predict material fatigue even for loading conditions below the yield stress

  6. Simulating High Flux Isotope Reactor Core Thermal-Hydraulics via Interdimensional Model Coupling

    Energy Technology Data Exchange (ETDEWEB)

    Travis, Adam R [ORNL

    2014-05-01

    A coupled interdimensional model is presented for the simulation of the thermal-hydraulic characteristics of the High Flux Isotope Reactor core at Oak Ridge National Laboratory. The model consists of two domains a solid involute fuel plate and the surrounding liquid coolant channel. The fuel plate is modeled explicitly in three-dimensions. The coolant channel is approximated as a twodimensional slice oriented perpendicular to the fuel plate s surface. The two dimensionally-inconsistent domains are linked to one another via interdimensional model coupling mechanisms. The coupled model is presented as a simplified alternative to a fully explicit, fully three-dimensional model. Involute geometries were constructed in SolidWorks. Derivations of the involute construction equations are presented. Geometries were then imported into COMSOL Multiphysics for simulation and modeling. Both models are described in detail so as to highlight their respective attributes in the 3D model, the pursuit of an accurate, reliable, and complete solution; in the coupled model, the intent to simplify the modeling domain as much as possible without affecting significant alterations to the solution. The coupled model was created with the goal of permitting larger portions of the reactor core to be modeled at once without a significant sacrifice to solution integrity. As such, particular care is given to validating incorporated model simplifications. To the greatest extent possible, the decrease in solution time as well as computational cost are quantified versus the effects such gains have on the solution quality. A variant of the coupled model which sufficiently balances these three solution characteristics is presented alongside the more comprehensive 3D model for comparison and validation.

  7. Simulating carbon exchange using a regional atmospheric model coupled to an advanced land-surface model

    Directory of Open Access Journals (Sweden)

    H. W. Ter Maat

    2010-08-01

    Full Text Available This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS, coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C, and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables.

    The simulations performed with the coupled regional model (RAMS-SWAPS-C are in good qualitative agreement with the observations. The station validation of the model demonstrates that the incoming shortwave radiation and surface fluxes of water and CO2 are well simulated. The comparison against aircraft data shows that the regional meteorology (i.e. wind, temperature is captured well by the model. Comparing spatially explicitly simulated fluxes with aircraft observed fluxes we conclude that in general latent heat fluxes are underestimated by the model compared to the observations but that the latter exhibit large variability within all flights. Sensitivity experiments demonstrate the relevance of the urban emissions of carbon dioxide for the carbon balance in this particular region. The same tests also show the relation between uncertainties in surface fluxes and those in atmospheric concentrations.

  8. A Mathematical Model for Storage and Recall of Images using Targeted Synchronization of Coupled Maps.

    Science.gov (United States)

    Palaniyandi, P; Rangarajan, Govindan

    2017-08-21

    We propose a mathematical model for storage and recall of images using coupled maps. We start by theoretically investigating targeted synchronization in coupled map systems wherein only a desired (partial) subset of the maps is made to synchronize. A simple method is introduced to specify coupling coefficients such that targeted synchronization is ensured. The principle of this method is extended to storage/recall of images using coupled Rulkov maps. The process of adjusting coupling coefficients between Rulkov maps (often used to model neurons) for the purpose of storing a desired image mimics the process of adjusting synaptic strengths between neurons to store memories. Our method uses both synchronisation and synaptic weight modification, as the human brain is thought to do. The stored image can be recalled by providing an initial random pattern to the dynamical system. The storage and recall of the standard image of Lena is explicitly demonstrated.

  9. Exploring the Influence of Topography on Belowground C Processes Using a Coupled Hydrologic-Biogeochemical Model

    Science.gov (United States)

    Shi, Y.; Davis, K. J.; Eissenstat, D. M.; Kaye, J. P.; Duffy, C.; Yu, X.; He, Y.

    2014-12-01

    Belowground carbon processes are affected by soil moisture and soil temperature, but current biogeochemical models are 1-D and cannot resolve topographically driven hill-slope soil moisture patterns, and cannot simulate the nonlinear effects of soil moisture on carbon processes. Coupling spatially-distributed physically-based hydrologic models with biogeochemical models may yield significant improvements in the representation of topographic influence on belowground C processes. We will couple the Flux-PIHM model to the Biome-BGC (BBGC) model. Flux-PIHM is a coupled physically-based land surface hydrologic model, which incorporates a land-surface scheme into the Penn State Integrated Hydrologic Model (PIHM). The land surface scheme is adapted from the Noah land surface model. Because PIHM is capable of simulating lateral water flow and deep groundwater, Flux-PIHM is able to represent the link between groundwater and the surface energy balance, as well as the land surface heterogeneities caused by topography. The coupled Flux-PIHM-BBGC model will be tested at the Susquehanna/Shale Hills critical zone observatory (SSHCZO). The abundant observations, including eddy covariance fluxes, soil moisture, groundwater level, sap flux, stream discharge, litterfall, leaf area index, above ground carbon stock, and soil carbon efflux, make SSHCZO an ideal test bed for the coupled model. In the coupled model, each Flux-PIHM model grid will couple a BBGC cell. Flux-PIHM will provide BBGC with soil moisture and soil temperature information, while BBGC provides Flux-PIHM with leaf area index. Preliminary results show that when Biome- BGC is driven by PIHM simulated soil moisture pattern, the simulated soil carbon is clearly impacted by topography.

  10. Coupled iterated map models of action potential dynamics in a one-dimensional cable of cardiac cells

    International Nuclear Information System (INIS)

    Wang Shihong; Xie Yuanfang; Qu Zhilin

    2008-01-01

    Low-dimensional iterated map models have been widely used to study action potential dynamics in isolated cardiac cells. Coupled iterated map models have also been widely used to investigate action potential propagation dynamics in one-dimensional (1D) coupled cardiac cells, however, these models are usually empirical and not carefully validated. In this study, we first developed two coupled iterated map models which are the standard forms of diffusively coupled maps and overcome the limitations of the previous models. We then determined the coupling strength and space constant by quantitatively comparing the 1D action potential duration profile from the coupled cardiac cell model described by differential equations with that of the coupled iterated map models. To further validate the coupled iterated map models, we compared the stability conditions of the spatially uniform state of the coupled iterated maps and those of the 1D ionic model and showed that the coupled iterated map model could well recapitulate the stability conditions, i.e. the spatially uniform state is stable unless the state is chaotic. Finally, we combined conduction into the developed coupled iterated map model to study the effects of coupling strength on wave stabilities and showed that the diffusive coupling between cardiac cells tends to suppress instabilities during reentry in a 1D ring and the onset of discordant alternans in a periodically paced 1D cable

  11. GFDL CM2.1 Global Coupled Ocean-Atmosphere Model Water ...

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. GFDL CM2.1 Global Coupled Ocean-Atmosphere Model Water Hosing Experiment with 1 Sv equivalent of Freshening Control Expt: 100 yrs After Hosing: 300 yrs.

  12. Modelling of the Rod Control System in the coupled code RELAP5-QUABOX/CUBBOX

    International Nuclear Information System (INIS)

    Bencik, V.; Feretic, D.; Grgic, D.

    1999-01-01

    There is a general agreement that for many light water reactor transient calculations, it is necessary to use a multidimensional neutron kinetics model coupled to sophisticated thermal-hydraulic models in order to obtain satisfactory results. These calculations are needed for a variety of applications for licensing safety analyses, probabilistic risk assessment, operational support, and training. At FER, Zagreb, a coupling of 3D neutronics code QUABOX/CUBBOX and system code RELAP5 was performed. In the paper the Rod Control System model in the RELAP5 part of the coupled code is presented. A first testing of the model was performed by calculation of reactor trip from full power for NPP Krsko. Results of 3D neutronics calculation obtained by coupled code QUABOX/CUBBOX were compared with point kinetics calculation performed with RELAP5 stand alone code.(author)

  13. Phase models and clustering in networks of oscillators with delayed coupling

    Science.gov (United States)

    Campbell, Sue Ann; Wang, Zhen

    2018-01-01

    We consider a general model for a network of oscillators with time delayed coupling where the coupling matrix is circulant. We use the theory of weakly coupled oscillators to reduce the system of delay differential equations to a phase model where the time delay enters as a phase shift. We use the phase model to determine model independent existence and stability results for symmetric cluster solutions. Our results extend previous work to systems with time delay and a more general coupling matrix. We show that the presence of the time delay can lead to the coexistence of multiple stable clustering solutions. We apply our analytical results to a network of Morris Lecar neurons and compare these results with numerical continuation and simulation studies.

  14. The feminist/emotionally focused therapy practice model: an integrated approach for couple therapy.

    Science.gov (United States)

    Vatcher, C A; Bogo, M

    2001-01-01

    Emotionally focused therapy (EFT) is a well-developed, empirically tested practice model for couple therapy that integrates systems, experiential, and attachment theories. Feminist family therapy theory has provided a critique of biased assumptions about gender at play in traditional family therapy practice and the historical absence of discussions of power in family therapy theory. This article presents an integrated feminist/EFT practice model for use in couple therapy, using a case from practice to illustrate key concepts. Broadly, the integrated model addresses gender roles and individual emotional experience using a systemic framework for understanding couple interaction. The model provides practitioners with a sophisticated, comprehensive, and relevant practice approach for working with the issues and challenges emerging for contemporary heterosexual couples.

  15. Modeling of radiation transport in coupled atmosphere-snow-ice-ocean systems

    International Nuclear Information System (INIS)

    Stamnes, K.; Hamre, B.; Stamnes, J. J.; Ryzhikov, G.; Biryulina, M.

    2009-01-01

    A radiative transfer model for coupled atmosphere-snow-ice-ocean systems is used to develop accurate and efficient tools for computing the BRDF of sea ice for a wide range of situations occurring in nature. (authors)

  16. One-loop radiative correction to the triple Higgs coupling in the Higgs singlet model

    Directory of Open Access Journals (Sweden)

    Shi-Ping He

    2017-01-01

    Full Text Available Though the 125 GeV Higgs boson is consistent with the standard model (SM prediction until now, the triple Higgs coupling can deviate from the SM value in the physics beyond the SM (BSM. In this paper, the radiative correction to the triple Higgs coupling is calculated in the minimal extension of the SM by adding a real gauge singlet scalar. In this model there are two scalars h and H and both of them are mixing states of the doublet and singlet. Provided that the mixing angle is set to be zero, namely the SM limit, h is the pure left-over of the doublet and its behavior is the same as that of the SM at the tree level. However the loop corrections can alter h-related couplings. In this SM limit case, the effect of the singlet H may show up in the h-related couplings, especially the triple h coupling. Our numerical results show that the deviation is sizable. For λΦS=1 (see text for the parameter definition, the deviation δhhh(1 can be 40%. For λΦS=1.5, the δhhh(1 can reach 140%. The sizable radiative correction is mainly caused by three reasons: the magnitude of the coupling λΦS, light mass of the additional scalar and the threshold enhancement. The radiative corrections for the hVV, hff couplings are from the counter-terms, which are the universal correction in this model and always at O(1%. The hZZ coupling, which can be precisely measured, may be a complementarity to the triple h coupling to search for the BSM. In the optimal case, the triple h coupling is very sensitive to the BSM physics, and this model can be tested at future high luminosity hadron colliders and electron–positron colliders.

  17. N=2-Maxwell-Chern-Simons model with anomalous magnetic moment coupling via dimensional reduction

    International Nuclear Information System (INIS)

    Christiansen, H.R.; Cunha, M.S.; Helayel Neto, Jose A.; Manssur, L.R.U; Nogueira, A.L.M.A.

    1998-02-01

    An N=1-supersymmetric version of the Cremmer-Scherk-Kalb-Ramond model with non-minimal coupling to matter is built up both in terms of superfields and in a component field formalism. By adopting a dimensional reduction procedure, the N=2-D=3 counterpart of the model comes out, with two main features: a genuine (diagonal) Chern-Simons term and an anomalous magnetic moment coupling between matter and the gauge potential. (author)

  18. Impact of an observational time window on coupled data assimilation: simulation with a simple climate model

    Directory of Open Access Journals (Sweden)

    Y. Zhao

    2017-11-01

    Full Text Available Climate signals are the results of interactions of multiple timescale media such as the atmosphere and ocean in the coupled earth system. Coupled data assimilation (CDA pursues balanced and coherent climate analysis and prediction initialization by incorporating observations from multiple media into a coupled model. In practice, an observational time window (OTW is usually used to collect measured data for an assimilation cycle to increase observational samples that are sequentially assimilated with their original error scales. Given different timescales of characteristic variability in different media, what are the optimal OTWs for the coupled media so that climate signals can be most accurately recovered by CDA? With a simple coupled model that simulates typical scale interactions in the climate system and twin CDA experiments, we address this issue here. Results show that in each coupled medium, an optimal OTW can provide maximal observational information that best fits the characteristic variability of the medium during the data blending process. Maintaining correct scale interactions, the resulting CDA improves the analysis of climate signals greatly. These simple model results provide a guideline for when the real observations are assimilated into a coupled general circulation model for improving climate analysis and prediction initialization by accurately recovering important characteristic variability such as sub-diurnal in the atmosphere and diurnal in the ocean.

  19. A nonlinear magnetoelectric model for magnetoelectric layered composite with coupling stress

    International Nuclear Information System (INIS)

    Shi, Yang; Gao, Yuanwen

    2014-01-01

    Based on a linear piezoelectric relation and a nonlinear magnetostrictive constitutive relation, A nonlinear magnetoelectric (ME) effect model for flexural layered ME composites is established in in-plane magnetic field. In the proposed model, the true coupling stress and the equivalent piezomagnetic coefficient are taken into account and obtained through an iterative approach. Some calculations on nonlinear ME coefficient are conducted and discussed. Our results show that for both the flexural bilayer and trilayer composites, the true coupling stress in the composites first increase and then approach to a constant value with the increase of applied magnetic fields, affecting the nonlinear ME effect significantly. With consideration of the true coupling stress, the ME effect is smaller than that without consideration of the true coupling stress. Moreover, the proposed theoretical model predicts that the ME coefficient of the trilayer composite (does not generate the bending deflection) is much larger than that of bilayer composite (generates the bending deflection), which is in well agreement with the previous works. The influences of the applied magnetic field on the true coupling stress and fraction ratio corresponding to the extreme ME coefficients of layered structures are also investigated. - Highlights: • This paper develops a nonlinear model for layered ME composite. • The true coupling stress is obtained through an iterative approach. • The influences of coupling stress and flexural deformation are discussed. • The dependence of ME coefficient on magnetic field is studied

  20. Establishment and analysis of coupled dynamic model for dual-mass silicon micro-gyroscope

    Science.gov (United States)

    Wang, Zhanghui; Qiu, Anping; Shi, Qin; Zhang, Taoyuan

    2017-12-01

    This paper presents a coupled dynamic model for a dual-mass silicon micro-gyroscope (DMSG). It can quantitatively analyze the influence of left-right stiffness difference on the natural frequencies, modal matrix and modal coupling coefficient of the DMSG. The analytic results are verified by using the finite element method (FEM) simulation. The model shows that with the left-right stiffness difference of 1%, the modal coupling coefficient is 12% in the driving direction and 31% in the sensing direction. It also shows that in order to achieve good separation, the stiffness of base beam should be small enough in both the driving and sensing direction.

  1. Coupled fvGCM-GCE Modeling System, 3D Cloud-Resolving Model and Cloud Library

    Science.gov (United States)

    Tao, Wei-Kuo

    2005-01-01

    Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud- resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CRMs. A seed fund is available at NASA Goddard to build a MMF based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM). A prototype MMF in being developed and production runs will be conducted at the beginning of 2005. In this talk, I will present: (1) A brief review on GCE model and its applications on precipitation processes, ( 2 ) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), (3) A cloud library generated by Goddard MMF, and 3D GCE model, and (4) A brief discussion on the GCE model on developing a global cloud simulator.

  2. 3D numerical modeling of coupled phenomena in induced processes of heat treatment with malice

    Directory of Open Access Journals (Sweden)

    Triwong Peeteenut

    2008-01-01

    Full Text Available This paper describes a multi-method Malice package for three dimension coupled phenomena in induced processes of heat treatment by an algorithm weakly coupled with the Migen package integral method defining the electromagnetic model and the Flux-Expert package finite element method defining the thermal model. The integral method is well suited to inductive systems undergoing sinusoidal excitation at midrange or high frequency. The unknowns of both models are current density, scalar potential and temperature. Joule power in the electromagnetic model is generated by Eddy currents. It becomes the heat source in the thermal model.

  3. A constitutive model for representing coupled creep, fracture, and healing in rock salt

    International Nuclear Information System (INIS)

    Chan, K.S.; Bodner, S.R.; Munson, D.E.; Fossum, A.F.

    1996-01-01

    The development of a constitutive model for representing inelastic flow due to coupled creep, damage, and healing in rock salt is present in this paper. This model, referred to as Multimechanism Deformation Coupled Fracture model, has been formulated by considering individual mechanisms that include dislocation creep, shear damage, tensile damage, and damage healing. Applications of the model to representing the inelastic flow and fracture behavior of WIPP salt subjected to creep, quasi-static loading, and damage healing conditions are illustrated with comparisons of model calculations against experimental creep curves, stress-strain curves, strain recovery curves, time-to-rupture data, and fracture mechanism maps

  4. Predicting Keto-Enol Equilibrium from Combining UV/Visible Absorption Spectroscopy with Quantum Chemical Calculations of Vibronic Structures for Many Excited States. A Case Study on Salicylideneanilines.

    Science.gov (United States)

    Zutterman, Freddy; Louant, Orian; Mercier, Gabriel; Leyssens, Tom; Champagne, Benoît

    2018-06-21

    Salicylideneanilines are characterized by a tautomer equilibrium, between an enol and a keto form of different colors, at the origin of their remarkable thermochromic, solvatochromic, and photochromic properties. The enol form is usually the most stable but appropriate choice of substituents and conditions (solvent, crystal, host compound) can displace the equilibrium toward the keto form so that there is a need for fast prediction of the keto:enol abundance ratio. Here we demonstrate the reliability of a combined theoretical-experimental method, based on comparing simulated and measured UV/visible absorption spectra, to determine this keto/enol ratio. The calculations of the excitation energies, oscillator strengths, and vibronic structures of both enol and keto forms are performed for all excited states absorbing in the relevant (visible and near-UV) wavelength range at the time-dependent density functional theory level by accounting for solvent effects using the polarizable continuum model. This approach is illustrated for two salicylideneaniline derivatives, which are present, in solution, under the form of keto-enol mixtures. The results are compared to those of chemometric analysis as well as ab initio predictions of the reaction free enthalpies.

  5. A Coupled Chemical and Mass Transport Model for Concrete Durability

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2012-01-01

    In this paper a general continuum theory is used to evaluate the service life of cement based materials, in terms of mass transport processes and chemical degradation of the solid matrix. The model established is a reactive mass transport model, based on an extended version of the Poisson-Nernst-...

  6. Controlled flavour changing neutral couplings in two Higgs Doublet models

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Joao M.; Branco, Gustavo C.; Nebot, Miguel [Instituto Superior Tecnico (IST), Lisboa Univ., Departamento de Fisica e Centro de Fisica Teorica de Particulas (CFTP), Lisboa (Portugal); Botella, Francisco J.; Cornet-Gomez, Fernando [Universitat de Valencia-CSIC, Departament de Fisica Teorica y IFIC, Burjassot (Spain)

    2017-09-15

    We propose a class of two Higgs doublet models where there are flavour changing neutral currents (FCNC) at tree level, but under control due to the introduction of a discrete symmetry in the full Lagrangian. It is shown that in this class of models, one can have simultaneously FCNC in the up and down sectors, in contrast to the situation encountered in the renormalisable and minimal flavour violating 2HDM models put forward by Branco et al. (Phys Lett B 380:119, 1996). The intensity of FCNC is analysed and it is shown that in this class of models one can respect all the strong constraints from experiment without unnatural fine-tuning. It is pointed out that the additional sources of flavour and CP violation are such that they can enhance significantly the generation of the Baryon asymmetry of the Universe, with respect to the standard model. (orig.)

  7. Distributed models coupling soakaways, urban drainage and groundwater

    DEFF Research Database (Denmark)

    Roldin, Maria Kerstin

    in receiving waters, urban flooding etc. WSUD structures are generally small, decentralized systems intended to manage stormwater near the source. Many of these alternative techniques are based on infiltration which can affect both the urban sewer system and urban groundwater levels if widely implemented......Alternative methods for stormwater management in urban areas, also called Water Sensitive Urban Design (WSUD) methods, have become increasingly important for the mitigation of urban stormwater management problems such as high runoff volumes, combined sewage overflows, poor water quality......, and how these can be modeled in an integrated environment with distributed urban drainage and groundwater flow models. The thesis: 1. Identifies appropriate models of soakaways for use in an integrated and distributed urban water and groundwater modeling system 2. Develops a modeling concept that is able...

  8. Coupling of the FLake model to the Surfex externalized surface model

    Energy Technology Data Exchange (ETDEWEB)

    Salgado, R. (Univ. of Evora, Centro de Geofisica de Evora (Portugal)); Le Moigne, P. (CNRM/GAME, Meteo-France/CNRS, Toulouse (France))

    2010-07-01

    The FLake model parameterizes the local-scale energy exchanges between lake surfaces and the atmosphere. FLake simulates the temperature profile as well as the budgets of heat and turbulent kinetic energy in water. Its implementation into the Surfex system, the externalized surface scheme devoted to research and operational forecasts, is presented here. The paper describes a validation of the coupled system Surfex-FLake based on measurements carried out on the Alqueva reservoir in southern Portugal. This paper shows how the use of FLake in the Surfex system improves surface temperature and turbulent fluxes at the water-atmosphere interface and explains the minor changes made in the computation of the shape function in order to adapt the FLake model to warm lakes, like the one used for this study. (orig.)

  9. Simulating carbon exchange using a regional atmospheric model coupled to an advanced land-surface model

    International Nuclear Information System (INIS)

    Ter Maat, H.W.; Hutjes, R.W.A.; Miglietta, F.; Gioli, B.; Bosveld, F.C.; Vermeulen, A.T.; Fritsch, H.

    2010-08-01

    This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS), coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C), and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables.

  10. Coupled Photochemical and Condensation Model for the Venus Atmosphere

    Science.gov (United States)

    Bierson, Carver; Zhang, Xi; Mendonca, Joao; Liang, Mao-Chang

    2017-10-01

    Ground based and Venus Express observations have provided a wealth of information on the vertical and latitudinal distribution of many chemical species in the Venus atmosphere [1,2]. Previous 1D models have focused on the chemistry of either the lower [3] or middle atmosphere [4,5]. Photochemical models focusing on the sulfur gas chemistry have also been independent from models of the sulfuric acid haze and cloud formation [6,7]. In recent years sulfur-bearing particles have become important candidates for the observed SO2 inversion above 80 km [5]. To test this hypothesis it is import to create a self-consistent model that includes photochemistry, transport, and cloud condensation.In this work we extend the domain of the 1D chemistry model of Zhang et al. (2012) [5] to encompass the region between the surface to 110 km. This model includes a simple sulfuric acid condensation scheme with gravitational settling. It simultaneously solves for the chemistry and condensation allowing for self-consistent cloud formation. We compare the resulting chemical distributions to observations at all altitudes. We have also validated our model cloud mass against pioneer Venus observations [8]. This updated full atmosphere chemistry model is also being applied in our 2D solver (altitude and altitude). With this 2D model we can model how the latitudinal distribution of chemical species depends on the meridional circulation. This allows us to use the existing chemical observations to place constraints on Venus GCMs [9-11].References: [1] Arney et al., JGR:Planets, 2014 [2] Vandaele et al., Icarus 2017 (pt. 1 & 2) [3] Krasnopolsky, Icarus, 2007 [4] Krasnopolsky, Icarus, 2012 [5] Zhang et al., Icarus 2012 [6] Gao et al., Icarus, 2014 [7] Krasnopolsky, Icarus, 2015 [8] Knollenberg and Hunten, JGR:Space Physics, 1980 [9] Lee et al., JGR:Planets, 2007 [10] Lebonnois et al., Towards Understanding the Climate of Venus, 2013 [11] Mendoncca and Read, Planetary and Space Science, 2016

  11. Modeling Coupled Evaporation and Seepage in Ventilated Cavities

    International Nuclear Information System (INIS)

    Ghezzehei, T.; Trautz, R.; Finsterle, S.; Cook, P.; Ahlers, C.

    2004-01-01

    Cavities excavated in unsaturated geological formations are important to activities such as nuclear waste disposal and mining. Such cavities provide a unique setting for simultaneous occurrence of seepage and evaporation. Previously, inverse numerical modeling of field liquid-release tests and associated seepage into cavities were used to provide seepage-related large-scale formation properties by ignoring the impact of evaporation. The applicability of such models was limited to the narrow range of ventilation conditions under which the models were calibrated. The objective of this study was to alleviate this limitation by incorporating evaporation into the seepage models. We modeled evaporation as an isothermal vapor diffusion process. The semi-physical model accounts for the relative humidity, temperature, and ventilation conditions of the cavities. The evaporation boundary layer thickness (BLT) over which diffusion occurs was estimated by calibration against free-water evaporation data collected inside the experimental cavities. The estimated values of BLT were 5 to 7 mm for the open underground drifts and 20 mm for niches closed off by bulkheads. Compared to previous models that neglected the effect of evaporation, this new approach showed significant improvement in capturing seepage fluctuations into open cavities of low relative humidity. At high relative-humidity values (greater than 85%), the effect of evaporation on seepage was very small

  12. Modeling of magnetically enhanced capacitively coupled plasma sources: Ar discharges

    International Nuclear Information System (INIS)

    Kushner, Mark J.

    2003-01-01

    Magnetically enhanced capacitively coupled plasma sources use transverse static magnetic fields to modify the performance of low pressure radio frequency discharges. Magnetically enhanced reactive ion etching (MERIE) sources typically use magnetic fields of tens to hundreds of Gauss parallel to the substrate to increase the plasma density at a given pressure or to lower the operating pressure. In this article results from a two-dimensional hybrid-fluid computational investigation of MERIE reactors with plasmas sustained in argon are discussed for an industrially relevant geometry. The reduction in electron cross field mobility as the magnetic field increases produces a systematic decrease in the dc bias (becoming more positive). This decrease is accompanied by a decrease in the energy and increase in angular spread of the ion flux to the substrate. Similar trends are observed when decreasing pressure for a constant magnetic field. Although for constant power the magnitudes of ion fluxes to the substrate increase with moderate magnetic fields, the fluxes decreased at larger magnetic fields. These trends are due, in part, to a reduction in the contributions of more efficient multistep ionization

  13. Fully coupled opto-electronic modelling of organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Reinke, Nils A.; Haeusermann, Roger; Huber, Evelyne; Moos, Michael [ZHAW, Institute of Comp. Physics (Germany); Flatz, Thomas [Fluxim AG (Switzerland); Ruhstaller, Beat [ZHAW, Institute of Comp. Physics (Germany); Fluxim AG (Switzerland)

    2009-07-01

    Record solar power conversion efficiencies of up to 5.5 % for single junction organic solar cells (OSC) are encouraging but still inferior to values of inorganic solar cells. For further progress, a detailed analysis of the mechanisms that limit the external quantum efficiency is crucial. It is widely believed that the device physics of OSCs can be reduced to the processes, which take place at the donor/acceptor-interface. Neglecting transport, trapping and ejection of charge carriers at the electrodes raises the question of the universality of such a simplification. In this study we present a fully coupled opto-electronic simulator, which calculates the spatial and spectral photon flux density inside the OSC, the formation of the charge transfer state and its dissociation into free charge carriers. Our simulator solves the drift- diffusion equations for the generated charge carriers as well as their ejection at the electrodes. Our results are in good agreement with both steady-state and transient OSC characteristics. We address the influence of physical quantities such as the optical properties, film-thicknesses, the recombination rate and charge carrier mobilities on performance figures. For instance the short circuit current can be enhanced by 15% to 25% when using a silver instead of an aluminium cathode. Our simulations lead to rules of thumb, which help to optimise a given OSC structure.

  14. Numerical modeling of coupled water flow and heat transport in soil and snow

    Science.gov (United States)

    Thijs J. Kelleners; Jeremy Koonce; Rose Shillito; Jelle Dijkema; Markus Berli; Michael H. Young; John M. Frank; William Massman

    2016-01-01

    A one-dimensional vertical numerical model for coupled water flow and heat transport in soil and snow was modified to include all three phases of water: vapor, liquid, and ice. The top boundary condition in the model is driven by incoming precipitation and the surface energy balance. The model was applied to three different terrestrial systems: A warm desert bare...

  15. Flipped version of the supersymmetric strongly coupled preon model

    Energy Technology Data Exchange (ETDEWEB)

    Fajfer, S. (Institut za Fiziku, University of Sarajevo, Sarajevo, (Yugoslavia)); Milekovic, M.; Tadic, D. (Zavod za Teorijsku Fiziku, Prirodoslovno-Matematicki Fakultet, University of Zagreb, Croatia, (Yugoslavia))

    1989-12-01

    In the supersymmetric SU(5) (SUSY SU(5)) composite model (which was described in an earlier paper) the fermion mass terms can be easily constructed. The SUSY SU(5){direct product}U(1), i.e., flipped, composite model possesses a completely analogous composite-particle spectrum. However, in that model one cannot construct a renormalizable superpotential which would generate fermion mass terms. This contrasts with the standard noncomposite grand unified theories (GUT's) in which both the Georgi-Glashow electrical charge embedding and its flipped counterpart lead to the renormalizable theories.

  16. Strong coupling and quasispinor representations of the SU(3) rotor model

    International Nuclear Information System (INIS)

    Rowe, D.J.; De Guise, H.

    1992-01-01

    We define a coupling scheme, in close parallel to the coupling scheme of Elliott and Wilsdon, in which nucleonic intrinsic spins are strongly coupled to SU(3) spatial wave functions. The scheme is proposed for shell-model calculations in strongly deformed nuclei and for semimicroscopic analyses of rotations in odd-mass nuclei and other nuclei for which the spin-orbit interaction is believed to play an important role. The coupling scheme extends the domain of utility of the SU(3) model, and the symplectic model, to heavy nuclei and odd-mass nuclei. It is based on the observation that the low angular-momentum states of an SU(3) irrep have properties that mimic those of a corresponding irrep of the rotor algebra. Thus, we show that strongly coupled spin-SU(3) bands behave like strongly coupled rotor bands with properties that approach those of irreducible representations of the rigid-rotor algebra in the limit of large SU(3) quantum numbers. Moreover, we determine that the low angular-momentum states of a strongly coupled band of states of half-odd integer angular momentum behave to a high degree of accuracy as if they belonged to an SU(3) irrep. These are the quasispinor SU(3) irreps referred to in the title. (orig.)

  17. Efficient modeling of reactive transport phenomena by a multispecies random walk coupled to chemical equilibrium

    International Nuclear Information System (INIS)

    Pfingsten, W.

    1996-01-01

    Safety assessments for radioactive waste repositories require a detailed knowledge of physical, chemical, hydrological, and geological processes for long time spans. In the past, individual models for hydraulics, transport, or geochemical processes were developed more or less separately to great sophistication for the individual processes. Such processes are especially important in the near field of a waste repository. Attempts have been made to couple at least two individual processes to get a more adequate description of geochemical systems. These models are called coupled codes; they couple predominantly a multicomponent transport model with a chemical reaction model. Here reactive transport is modeled by the sequentially coupled code MCOTAC that couples one-dimensional advective, dispersive, and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium. Transport, described by a random walk of multispecies particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term. The modular-structured code was applied to incongruent dissolution of hydrated silicate gels, to movement of multiple solid front systems, and to an artificial, numerically difficult heterogeneous redox problem. These applications show promising features with respect to applicability to relevant problems and possibilities of extensions

  18. Cloud radiative effects and changes simulated by the Coupled Model Intercomparison Project Phase 5 models

    Science.gov (United States)

    Shin, Sun-Hee; Kim, Ok-Yeon; Kim, Dongmin; Lee, Myong-In

    2017-07-01

    Using 32 CMIP5 (Coupled Model Intercomparison Project Phase 5) models, this study examines the veracity in the simulation of cloud amount and their radiative effects (CREs) in the historical run driven by observed external radiative forcing for 1850-2005, and their future changes in the RCP (Representative Concentration Pathway) 4.5 scenario runs for 2006-2100. Validation metrics for the historical run are designed to examine the accuracy in the representation of spatial patterns for climatological mean, and annual and interannual variations of clouds and CREs. The models show large spread in the simulation of cloud amounts, specifically in the low cloud amount. The observed relationship between cloud amount and the controlling large-scale environment are also reproduced diversely by various models. Based on the validation metrics, four models—ACCESS1.0, ACCESS1.3, HadGEM2-CC, and HadGEM2-ES—are selected as best models, and the average of the four models performs more skillfully than the multimodel ensemble average. All models project global-mean SST warming at the increase of the greenhouse gases, but the magnitude varies across the simulations between 1 and 2 K, which is largely attributable to the difference in the change of cloud amount and distribution. The models that simulate more SST warming show a greater increase in the net CRE due to reduced low cloud and increased incoming shortwave radiation, particularly over the regions of marine boundary layer in the subtropics. Selected best-performing models project a significant reduction in global-mean cloud amount of about -0.99% K-1 and net radiative warming of 0.46 W m-2 K-1, suggesting a role of positive feedback to global warming.

  19. Quantifying interactions between real oscillators with information theory and phase models: Application to cardiorespiratory coupling

    Science.gov (United States)

    Zhu, Yenan; Hsieh, Yee-Hsee; Dhingra, Rishi R.; Dick, Thomas E.; Jacono, Frank J.; Galán, Roberto F.

    2013-02-01

    Interactions between oscillators can be investigated with standard tools of time series analysis. However, these methods are insensitive to the directionality of the coupling, i.e., the asymmetry of the interactions. An elegant alternative was proposed by Rosenblum and collaborators [M. G. Rosenblum, L. Cimponeriu, A. Bezerianos, A. Patzak, and R. Mrowka, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.65.041909 65, 041909 (2002); M. G. Rosenblum and A. S. Pikovsky, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.64.045202 64, 045202 (2001)] which consists in fitting the empirical phases to a generic model of two weakly coupled phase oscillators. This allows one to obtain the interaction functions defining the coupling and its directionality. A limitation of this approach is that a solution always exists in the least-squares sense, even in the absence of coupling. To preclude spurious results, we propose a three-step protocol: (1) Determine if a statistical dependency exists in the data by evaluating the mutual information of the phases; (2) if so, compute the interaction functions of the oscillators; and (3) validate the empirical oscillator model by comparing the joint probability of the phases obtained from simulating the model with that of the empirical phases. We apply this protocol to a model of two coupled Stuart-Landau oscillators and show that it reliably detects genuine coupling. We also apply this protocol to investigate cardiorespiratory coupling in anesthetized rats. We observe reciprocal coupling between respiration and heartbeat and that the influence of respiration on the heartbeat is generally much stronger than vice versa. In addition, we find that the vagus nerve mediates coupling in both directions.

  20. Models for electromagnetic coupling of lightning onto multiconductor cables in underground cavities

    Science.gov (United States)

    Higgins, Matthew Benjamin

    This dissertation documents the measurements, analytical modeling, and numerical modeling of electromagnetic transfer functions to quantify the ability of cloud-to-ground lightning strokes (including horizontal arc-channel components) to couple electromagnetic energy onto multiconductor cables in an underground cavity. Measurements were performed at the Sago coal mine located near Buckhannon, WV. These transfer functions, coupled with mathematical representations of lightning strokes, are then used to predict electric fields within the mine and induced voltages on a cable that was left abandoned in the sealed area of the Sago mine. If voltages reached high enough levels, electrical arcing could have occurred from the abandoned cable. Electrical arcing is known to be an effective ignition source for explosive gas mixtures. Two coupling mechanisms were measured: direct and indirect drive. Direct coupling results from the injection or induction of lightning current onto metallic conductors such as the conveyors, rails, trolley communications cable, and AC power shields that connect from the outside of the mine to locations deep within the mine. Indirect coupling results from electromagnetic field propagation through the earth as a result of a cloud-to-ground lightning stroke or a long, low-altitude horizontal current channel from a cloud-to-ground stroke. Unlike direct coupling, indirect coupling does not require metallic conductors in a continuous path from the surface to areas internal to the mine. Results from the indirect coupling measurements and analysis are of great concern. The field measurements, modeling, and analysis indicate that significant energy can be coupled directly into the sealed area of the mine. Due to the relatively low frequency content of lightning (extremely well with analytical and computational models developed for the Sago site which take into account measured soil properties.

  1. Charge-coupled-device X-ray detector performance model

    Science.gov (United States)

    Bautz, M. W.; Berman, G. E.; Doty, J. P.; Ricker, G. R.

    1987-01-01

    A model that predicts the performance characteristics of CCD detectors being developed for use in X-ray imaging is presented. The model accounts for the interactions of both X-rays and charged particles with the CCD and simulates the transport and loss of charge in the detector. Predicted performance parameters include detective and net quantum efficiencies, split-event probability, and a parameter characterizing the effective thickness presented by the detector to cosmic-ray protons. The predicted performance of two CCDs of different epitaxial layer thicknesses is compared. The model predicts that in each device incomplete recovery of the charge liberated by a photon of energy between 0.1 and 10 keV is very likely to be accompanied by charge splitting between adjacent pixels. The implications of the model predictions for CCD data processing algorithms are briefly discussed.

  2. Synchronization scenarios in the Winfree model of coupled oscillators

    Science.gov (United States)

    Gallego, Rafael; Montbrió, Ernest; Pazó, Diego

    2017-10-01

    Fifty years ago Arthur Winfree proposed a deeply influential mean-field model for the collective synchronization of large populations of phase oscillators. Here we provide a detailed analysis of the model for some special, analytically tractable cases. Adopting the thermodynamic limit, we derive an ordinary differential equation that exactly describes the temporal evolution of the macroscopic variables in the Ott-Antonsen invariant manifold. The low-dimensional model is then thoroughly investigated for a variety of pulse types and sinusoidal phase response curves (PRCs). Two structurally different synchronization scenarios are found, which are linked via the mutation of a Bogdanov-Takens point. From our results, we infer a general rule of thumb relating pulse shape and PRC offset with each scenario. Finally, we compare the exact synchronization threshold with the prediction of the averaging approximation given by the Kuramoto-Sakaguchi model. At the leading order, the discrepancy appears to behave as an odd function of the PRC offset.

  3. A product-model supporting coupling's management during microproduct design

    DEFF Research Database (Denmark)

    Museau, Matthieu; De Grave, Arnaud; Masclet, Cedric

    2009-01-01

    Microproducts show specificities compared to macroproducts and their design processes differ. Nowadays, existing design tools manage microproduct specificities too late during the design process, only after the first product representation is available. This article presents a product-model able...

  4. A Community Framework for Integrative, Coupled Modeling of Human-Earth Systems

    Science.gov (United States)

    Barton, C. M.; Nelson, G. C.; Tucker, G. E.; Lee, A.; Porter, C.; Ullah, I.; Hutton, E.; Hoogenboom, G.; Rogers, K. G.; Pritchard, C.

    2017-12-01

    We live today in a humanized world, where critical zone dynamics are driven by coupled human and biophysical processes. First generation modeling platforms have been invaluable in providing insight into dynamics of biophysical systems and social systems. But to understand today's humanized planet scientifically and to manage it sustainably, we need integrative modeling of this coupled human-Earth system. To address both scientific and policy questions, we also need modeling that can represent variable combinations of human-Earth system processes at multiple scales. Simply adding more code needed to do this to large, legacy first generation models is impractical, expensive, and will make them even more difficult to evaluate or understand. We need an approach to modeling that mirrors and benefits from the architecture of the complexly coupled systems we hope to model. Building on a series of international workshops over the past two years, we present a community framework to enable and support an ecosystem of diverse models as components that can be interconnected as needed to facilitate understanding of a range of complex human-earth systems interactions. Models are containerized in Docker to make them platform independent. A Basic Modeling Interface and Standard Names ontology (developed by the Community Surface Dynamics Modeling System) is applied to make them interoperable. They are then transformed into RESTful micro-services to allow them to be connected and run in a browser environment. This enables a flexible, multi-scale modeling environment to help address diverse issues with combinations of smaller, focused, component models that are easier to understand and evaluate. We plan to develop, deploy, and maintain this framework for integrated, coupled modeling in an open-source collaborative development environment that can democratize access to advanced technology and benefit from diverse global participation in model development. We also present an initial

  5. Asymmetric nuclear matter in a modified quark meson coupling model

    International Nuclear Information System (INIS)

    Mishra, R.N.; Sahoo, H.S.; Panda, P.K.; Barik, N.

    2014-01-01

    In an earlier attempt we have successfully used this model in developing the nuclear equation of state and analysed various other bulk properties of symmetric nuclear matter with the dependence of quark masses. In the present work we want to apply the model to analyze asymmetric nuclear matter with the variation of the asymmetry parameter y p as well as analyze the effects of symmetry energy and the slope of the symmetry energy L

  6. An Arctic Ice/Ocean Coupled Model with Wave Interactions

    Science.gov (United States)

    2015-09-30

    discussed by DRI participants may aid our understanding as well, e.g. those conducted in the Hamburg Ship Model Basin. Our theoretical advances benefit...the project are – continued modifications to the Arctic wide WIM code in association with advances relating to a new ice/ocean model known as... Auckland , December 2014. Montiel, F. Transmission of ocean waves through a row of randomly perturbed circular ice floes. Minisymposium on Wave Motions of

  7. Double-temperature ratchet model and current reversal of coupled Brownian motors

    Science.gov (United States)

    Li, Chen-Pu; Chen, Hong-Bin; Zheng, Zhi-Gang

    2017-12-01

    On the basis of the transport features and experimental phenomena observed in studies of molecular motors, we propose a double-temperature ratchet model of coupled motors to reveal the dynamical mechanism of cooperative transport of motors with two heads, where the interactions and asynchrony between two motor heads are taken into account. We investigate the collective unidirectional transport of coupled system and find that the direction of motion can be reversed under certain conditions. Reverse motion can be achieved by modulating the coupling strength, coupling free length, and asymmetric coefficient of the periodic potential, which is understood in terms of the effective potential theory. The dependence of the directed current on various parameters is studied systematically. Directed transport of coupled Brownian motors can be manipulated and optimized by adjusting the pulsation period or the phase shift of the pulsation temperature.

  8. Coupled Model of Artificial Neural Network and Grey Model for Tendency Prediction of Labor Turnover

    Directory of Open Access Journals (Sweden)

    Yueru Ma

    2014-01-01

    Full Text Available The tendency of labor turnover in the Chinese enterprise shows the characteristics of seasonal fluctuations and irregular distribution of various factors, especially the Chinese traditional social and cultural characteristics. In this paper, we present a coupled model for the tendency prediction of labor turnover. In the model, a time series of tendency prediction of labor turnover was expressed as trend item and its random item. Trend item of tendency prediction of labor turnover is predicted using Grey theory. Random item of trend item is calculated by artificial neural network model (ANN. A case study is presented by the data of 24 months in a Chinese matured enterprise. The model uses the advantages of “accumulative generation” of a Grey prediction method, which weakens the original sequence of random disturbance factors and increases the regularity of data. It also takes full advantage of the ANN model approximation performance, which has a capacity to solve economic problems rapidly, describes the nonlinear relationship easily, and avoids the defects of Grey theory.

  9. Baryon axial-vector couplings and SU(3)-symmetry breaking in chiral quark models

    International Nuclear Information System (INIS)

    Horvat, D.; Ilakovac, A.; Tadic, D.

    1986-01-01

    SU(3)-symmetry breaking is studied in the framework of the chiral bag models. Comparisons are also made with the MIT bag model and the harmonic-oscillator quark model. An important clue for the nature of the symmetry breaking comes from the isoscalar axial-vector coupling constant g/sub A//sup S/ which can be indirectly estimated from the Bjorken sum rules for deep-inelastic scattering. The chiral bag model with two radii reasonably well accounts for the empirical values of g/sub A//sup S/ and of the axial-vector coupling constants measured in hyperon semileptonic decays

  10. Exact Mass-Coupling Relation for the Homogeneous Sine-Gordon Model.

    Science.gov (United States)

    Bajnok, Zoltán; Balog, János; Ito, Katsushi; Satoh, Yuji; Tóth, Gábor Zsolt

    2016-05-06

    We derive the exact mass-coupling relation of the simplest multiscale quantum integrable model, i.e., the homogeneous sine-Gordon model with two mass scales. The relation is obtained by comparing the perturbed conformal field theory description of the model valid at short distances to the large distance bootstrap description based on the model's integrability. In particular, we find a differential equation for the relation by constructing conserved tensor currents, which satisfy a generalization of the Θ sum rule Ward identity. The mass-coupling relation is written in terms of hypergeometric functions.

  11. The effect of coupling hydrologic and hydrodynamic models on probable maximum flood estimation

    Science.gov (United States)

    Felder, Guido; Zischg, Andreas; Weingartner, Rolf

    2017-07-01

    Deterministic rainfall-runoff modelling usually assumes stationary hydrological system, as model parameters are calibrated with and therefore dependant on observed data. However, runoff processes are probably not stationary in the case of a probable maximum flood (PMF) where discharge greatly exceeds observed flood peaks. Developing hydrodynamic models and using them to build coupled hydrologic-hydrodynamic models can potentially improve the plausibility of PMF estimations. This study aims to assess the potential benefits and constraints of coupled modelling compared to standard deterministic hydrologic modelling when it comes to PMF estimation. The two modelling approaches are applied using a set of 100 spatio-temporal probable maximum precipitation (PMP) distribution scenarios. The resulting hydrographs, the resulting peak discharges as well as the reliability and the plausibility of the estimates are evaluated. The discussion of the results shows that coupling hydrologic and hydrodynamic models substantially improves the physical plausibility of PMF modelling, although both modelling approaches lead to PMF estimations for the catchment outlet that fall within a similar range. Using a coupled model is particularly suggested in cases where considerable flood-prone areas are situated within a catchment.

  12. A flexible method to model HIV serodiscordance among couples in Mozambique.

    Directory of Open Access Journals (Sweden)

    Adelino J C Juga

    Full Text Available Whereas the number of people newly infected by HIV is continuing to decline globally, the epidemic continues to expand in many parts of the world. As the HIV/AIDS epidemic has matured in many countries, it is believed that the proportion of new infections occurring within couples has risen. Across countries, including Mozambique, a sizeable proportion of couples with HIV infection are discordant. A serodiscordant couple is a couple in which one partner has tested positive for HIV and the other has not. To describe the HIV serodiscordance among couples, a variety of association measures can be used. In this paper, we propose the serodiscordance measure (SDM as a new alternative measure. Focus is on the specification of flexible marginal and random effects models for multivariate correlated binary data together with a full-likelihood estimation method, to adequately and directly describe the measure of interest. Fitting joint models allows examining the effects of different risk factors and other covariates on the probability to be HIV positive for each member within a couple, and estimating common effects for both probabilities more efficiently, while accounting for the association between their infection status. Moreover, the interpretation of the proposed association parameter SDM is more direct and relevant and effects of covariates can be studied as well. Results show that the HIV prevalence for the province where a couple was located as well as the union number for the woman within a couple are factors associated with HIV serodiscordance. These findings are important for the Mozambican public health policy makers to design national prevention plans, which include policies to stimulate regular HIV testing for couples as well as adolescents and young adults, prior to getting married or living together as a couple.

  13. Edge and coupled core/edge transport modelling in tokamaks

    International Nuclear Information System (INIS)

    Lodestro, L.L.; Casper, T.A.; Cohen, R.H.

    1999-01-01

    Recent advances in the theory and modelling of tokamak edge, scrape-off-layer (SOL) and divertor plasmas are described. The effects of the poloidal E x B drift on inner/outer divertor-plate asymmetries within a 1D analysis are shown to be in good agreement with experimental trends; above a critical v ExB , the model predicts transitions to supersonic flow at the inboard midplane. 2D simulations show the importance of E x B flow in the private-flux region and of ∇ B-drifts. A theory of rough plasma-facing surfaces is given, predicting modifications to the SOL plasma. The parametric dependence of detached-plasma states in slab geometry has been explored; with sufficient pumping, the location of the ionization front can be controlled; otherwise only fronts near the plate or the X-point are stable. Studies with a more accurate Monte-Carlo neutrals model and a detailed non-LTE radiation-transport code indicate various effects are important for quantitative modelling. Detailed simulations of the DIII-D core and edge are presented; impurity and plasma flow are discussed and shown to be well modelled with UEDGE. (author)

  14. Edge and coupled core-edge transport modelling in tokamaks

    International Nuclear Information System (INIS)

    Lodestro, L.L.; Casper, T.A.; Cohen, R.H.

    2001-01-01

    Recent advances in the theory and modelling of tokamak edge, scrape-off-layer (SOL) and divertor plasmas are described. The effects of the poloidal ExB drift on inner/outer divertor-plate asymmetries within a 1D analysis are shown to be in good agreement with experimental trends; above a critical v ExB, the model predicts transitions to supersonic SOL flow at the inboard midplane. 2D simulations show the importance of ExB flow in the private-flux region and of ∇ B-drifts. A theory of rough plasma-facing surfaces is given, predicting modifications to the SOL plasma. The parametric dependence of detached-plasma states in slab geometry has been explored; with sufficient pumping, the location of the ionization front can be controlled; otherwise only fronts near the plate or the X-point are stable. Studies with a more accurate Monte-Carlo neutrals model and a detailed non-LTE radiation-transport code indicate various effects are important for quantitative modelling. Detailed simulations of the DIII-D core and edge are presented; impurity and plasma flow are discussed and shown to be well modelled with UEDGE. (author)

  15. Sensitivity of simulated regional Arctic climate to the choice of coupled model domain

    Directory of Open Access Journals (Sweden)

    Dmitry V. Sein

    2014-07-01

    Full Text Available The climate over the Arctic has undergone changes in recent decades. In order to evaluate the coupled response of the Arctic system to external and internal forcing, our study focuses on the estimation of regional climate variability and its dependence on large-scale atmospheric and regional ocean circulations. A global ocean–sea ice model with regionally high horizontal resolution is coupled to an atmospheric regional model and global terrestrial hydrology model. This way of coupling divides the global ocean model setup into two different domains: one coupled, where the ocean and the atmosphere are interacting, and one uncoupled, where the ocean model is driven by prescribed atmospheric forcing and runs in a so-called stand-alone mode. Therefore, selecting a specific area for the regional atmosphere implies that the ocean–atmosphere system can develop ‘freely’ in that area, whereas for the rest of the global ocean, the circulation is driven by prescribed atmospheric forcing without any feedbacks. Five different coupled setups are chosen for ensemble simulations. The choice of the coupled domains was done to estimate the influences of the Subtropical Atlantic, Eurasian and North Pacific regions on northern North Atlantic and Arctic climate. Our simulations show that the regional coupled ocean–atmosphere model is sensitive to the choice of the modelled area. The different model configurations reproduce differently both the mean climate and its variability. Only two out of five model setups were able to reproduce the Arctic climate as observed under recent climate conditions (ERA-40 Reanalysis. Evidence is found that the main source of uncertainty for Arctic climate variability and its predictability is the North Pacific. The prescription of North Pacific conditions in the regional model leads to significant correlation with observations, even if the whole North Atlantic is within the coupled model domain. However, the inclusion of the

  16. Geophysical Global Modeling for Extreme Crop Production Using Photosynthesis Models Coupled to Ocean SST Dipoles

    Science.gov (United States)

    Kaneko, D.

    2016-12-01

    through seasonal advection thermal effects on potential evaporation by winds blowing eastward over California, the Grand Canyon, Monument Valley, and into the Great Plains. These coupled SST photosynthesis models constitute an advanced approach for crop modeling in the era of recent new climate.

  17. Advancing coupled human-earth system models: The integrated Earth System Model Project

    Science.gov (United States)

    Thomson, A. M.; Edmonds, J. A.; Collins, W.; Thornton, P. E.; Hurtt, G. C.; Janetos, A. C.; Jones, A.; Mao, J.; Chini, L. P.; Calvin, K. V.; Bond-Lamberty, B. P.; Shi, X.

    2012-12-01

    As human and biogeophysical models develop, opportunities for connections between them evolve and can be used to advance our understanding of human-earth systems interaction in the context of a changing climate. One such integration is taking place with the Community Earth System Model (CESM) and the Global Change Assessment Model (GCAM). A multi-disciplinary, multi-institution team has succeeded in integrating the GCAM integrated assessment model of human activity into CESM to dynamically represent the feedbacks between changing climate and human decision making, in the context of greenhouse gas mitigation policies. The first applications of this capability have focused on the feedbacks between climate change impacts on terrestrial ecosystem productivity and human decisions affecting future land use change, which are in turn connected to human decisions about energy systems and bioenergy production. These experiments have been conducted in the context of the RCP4.5 scenario, one of four pathways of future radiative forcing being used in CMIP5, which constrains future human-induced greenhouse gas emissions from energy and land activities to stabilize radiative forcing at 4.5 W/m2 (~650 ppm CO2 -eq) by 2100. When this pathway is run in GCAM with the climate feedback on terrestrial productivity from CESM, there are implications for both the land use and energy system changes required for stabilization. Early findings indicate that traditional definitions of radiative forcing used in scenario development are missing a critical component of the biogeophysical consequences of land use change and their contribution to effective radiative forcing. Initial full coupling of the two global models has important implications for how climate impacts on terrestrial ecosystems changes the dynamics of future land use change for agriculture and forestry, particularly in the context of a climate mitigation policy designed to reduce emissions from land use as well as energy systems

  18. Role of spin-orbit coupling in the Kugel-Khomskii model on the honeycomb lattice

    Science.gov (United States)

    Koga, Akihisa; Nakauchi, Shiryu; Nasu, Joji

    2018-03-01

    We study the effective spin-orbital model for honeycomb-layered transition metal compounds, applying the second-order perturbation theory to the three-orbital Hubbard model with the anisotropic hoppings. This model is reduced to the Kitaev model in the strong spin-orbit coupling limit. Combining the cluster mean-field approximations with the exact diagonalization, we treat the Kugel-Khomskii type superexchange interaction and spin-orbit coupling on an equal footing to discuss ground-state properties. We find that a zigzag ordered state is realized in the model within nearest-neighbor interactions. We clarify how the ordered state competes with the nonmagnetic state, which is adiabatically connected to the quantum spin liquid state realized in a strong spin-orbit coupling limit. Thermodynamic properties are also addressed. The present paper should provide another route to account for the Kitaev-based magnetic properties in candidate materials.

  19. A Coupled Probabilistic Wake Vortex and Aircraft Response Prediction Model

    Science.gov (United States)

    Gloudemans, Thijs; Van Lochem, Sander; Ras, Eelco; Malissa, Joel; Ahmad, Nashat N.; Lewis, Timothy A.

    2016-01-01

    Wake vortex spacing standards along with weather and runway occupancy time, restrict terminal area throughput and impose major constraints on the overall capacity and efficiency of the National Airspace System (NAS). For more than two decades, the National Aeronautics and Space Administration (NASA) has been conducting research on characterizing wake vortex behavior in order to develop fast-time wake transport and decay prediction models. It is expected that the models can be used in the systems level design of advanced air traffic management (ATM) concepts that safely increase the capacity of the NAS. It is also envisioned that at a later stage of maturity, these models could potentially be used operationally, in groundbased spacing and scheduling systems as well as on the flight deck.

  20. Online-coupled meteorology and chemistry models: history, current status, and outlook

    Directory of Open Access Journals (Sweden)

    Y. Zhang

    2008-06-01

    Full Text Available The climate-chemistry-aerosol-cloud-radiation feedbacks are important processes occurring in the atmosphere. Accurately simulating those feedbacks requires fully-coupled meteorology, climate, and chemistry models and presents significant challenges in terms of both scientific understanding and computational demand. This paper reviews the history and current status of the development and application of online-coupled meteorology and chemistry models, with a focus on five representative models developed in the US including GATOR-GCMOM, WRF/Chem, CAM3, MIRAGE, and Caltech unified GCM. These models represent the current status and/or the state-of-the science treatments of online-coupled models worldwide. Their major model features, typical applications, and physical/chemical treatments are compared with a focus on model treatments of aerosol and cloud microphysics and aerosol-cloud interactions. Aerosol feedbacks to planetary boundary layer meteorology and aerosol indirect effects are illustrated with case studies for some of these models. Future research needs for model development, improvement, application, as well as major challenges for online-coupled models are discussed.

  1. Preliminary assessment of the performance of a global coupled atmosphere-ocean model

    International Nuclear Information System (INIS)

    Cubasch, U.

    1990-01-01

    A low-resolution version of the ECMWF global atmosphere model has been coupled to a global ocean model developed at the Max Planck Institute in Hamburg. The atmosphere model is driven by the sea surface temperature and the ice thickness calculated by the ocean model, which, in return, is driven by the wind stress, the heat flux and the freshwater flux diagnosed by the atmosphere model. Even though each model reaches stationarity when integrated on its own, the coupling of both creates problems, since the fields calculated by each model are not consistent with the ones the other model has to have in order to stay stationary, because some of the fluxes are not balanced. In the coupled experiment the combined ocean-atmosphere system drifts toward a colder state. To counteract this problem, a flux correction has been applied which balances the mean biases of each model. This method almost eliminates the climate drift of the coupled model. Problems still arise over ice covered regions

  2. Coupled modelling of subsurface water flux for an integrated flood risk management

    Directory of Open Access Journals (Sweden)

    T. Sommer

    2009-07-01

    Full Text Available Flood events cause significant damage not only on the surface but also underground. Infiltration of surface water into soil, flooding through the urban sewer system and, in consequence, rising groundwater are the main causes of subsurface damage. The modelling of flooding events is an important part of flood risk assessment. The processes of subsurface discharge of infiltrated water necessitate coupled modelling tools of both, surface and subsurface water fluxes. Therefore, codes for surface flooding, for discharge in the sewerage system and for groundwater flow were coupled with each other. A coupling software was used to amalgamate the individual programs in terms of mapping between the different model geometries, time synchronization and data exchange. The coupling of the models was realized on two scales in the Saxon capital of Dresden (Germany. As a result of the coupled modelling it could be shown that surface flooding dominates processes of any flood event. Compared to flood simulations without coupled modelling no substantial changes of the surface inundation area could be determined. Regarding sewerage, the comparison between the influx of groundwater into sewerage and the loading due to infiltration by flood water showed infiltration of surface flood water to be the main reason for sewerage overloading. Concurrent rainfalls can intensify the problem. The infiltration of the sewerage system by rising groundwater contributes only marginally to the loading of the sewerage and the distribution of water by sewerage has only local impacts on groundwater rise. However, the localization of risk areas due to rising groundwater requires the consideration of all components of the subsurface water fluxes. The coupled modelling has shown that high groundwater levels are the result of a multi-causal process that occurs before and during the flood event.

  3. Coupled electromechanical model of an imperfect piezoelectric vibrating cylinder gyroscope

    CSIR Research Space (South Africa)

    Loveday, PW

    1996-01-01

    Full Text Available which is closed at one end with discrete piezoceramic actuation and sensing elements bonded close to the open end. The operation of the gyroscope and the effect of imperfections are briefly described. The model allows direct comparison with experimental...

  4. Models for integrated components coupled with their EM environment

    NARCIS (Netherlands)

    Ioan, D.; Schilders, W.H.A.; Ciuprina, G.; Meijs, van der N.P.; Schoenmaker, W.

    2008-01-01

    Abstract: Purpose – The main aim of this study is the modelling of the interaction of on-chip components with their electromagnetic environment. Design/methodology/approach – The integrated circuit is decomposed in passive and active components interconnected by means of terminals and connectors

  5. Modelling of Continual Induction Hardening in Quasi-Coupled Formulation

    Czech Academy of Sciences Publication Activity Database

    Barglik, J.; Doležel, Ivo; Karban, P.; Ulrych, B.

    2005-01-01

    Roč. 24, č. 1 (2005), s. 251-260 ISSN 0332-1649 Grant - others:PSRC(PL) 4T08C 04823 Institutional research plan: CEZ:AV0Z20570509 Keywords : mathematical modelling * electromagnetism * induction Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 0.188, year: 2005

  6. Non-generic couplings in supersymmetric standard models

    Directory of Open Access Journals (Sweden)

    Evgeny I. Buchbinder

    2015-09-01

    Full Text Available We study two phases of a heterotic standard model, obtained from a Calabi–Yau compactification of the E8×E8 heterotic string, in the context of the associated four-dimensional effective theories. In the first phase we have a standard model gauge group, an MSSM spectrum, four additional U(1 symmetries and singlet fields. In the second phase, obtained from the first by continuing along the singlet directions, three of the additional U(1 symmetries are spontaneously broken and the remaining one is a B–L symmetry. In this second phase, dimension five operators inducing proton decay are consistent with all symmetries and as such, they are expected to be present. We show that, contrary to this expectation, these operators are forbidden due to the additional U(1 symmetries present in the first phase of the model. We emphasise that such “unexpected” absences of operators, due to symmetry enhancement at specific loci in the moduli space, can be phenomenologically relevant and, in the present case, protect the model from fast proton decay.

  7. Coupled model simulations of twentieth century climate of the Indian ...

    Indian Academy of Sciences (India)

    models showed serious problems in simulating the northward seasonal migration of the Inter- tropical convergence zone (ITCZ) into the Indian landmass. They have also shown .... state-of-the-art AGCMs when forced by observed. SST are unable to simulate properly Asian–Pacific summer monsoon rainfall. In their analysis ...

  8. Complex Automata: Multi-scale Modeling with Coupled Cellular Automata

    NARCIS (Netherlands)

    Hoekstra, A.G.; Caiazzo, A.; Lorenz, E.; Falcone, J.-L.; Chopard, B.; Hoekstra, A.G.; Kroc, J.; Sloot, P.M.A.

    2010-01-01

    Cellular Automata (CA) are generally acknowledged to be a powerful way to describe and model natural phenomena [1-3]. There are even tempting claims that nature itself is one big (quantum) information processing system, e.g. [4], and that CA may actually be nature’s way to do this processing [5-7].

  9. A coupled mechano-biochemical model for bone adaptation

    Czech Academy of Sciences Publication Activity Database

    Klika, Václav; Pérez, M. A.; García-Aznar, J. M.; Maršík, F.; Doblaré, M.

    2014-01-01

    Roč. 69, 6-7 (2014), s. 1383-1429 ISSN 0303-6812 Institutional support: RVO:61388998 Keywords : mechano-biochemical model * bone remodelling * BMU Subject RIV: BJ - Thermodynamics Impact factor: 1.846, year: 2014 http://link.springer.com/article/10.1007%2Fs00285-013-0736-9

  10. Diagnosing the impact of alternative calibration strategies on coupled hydrologic models

    Science.gov (United States)

    Smith, T. J.; Perera, C.; Corrigan, C.

    2017-12-01

    Hydrologic models represent a significant tool for understanding, predicting, and responding to the impacts of water on society and society on water resources and, as such, are used extensively in water resources planning and management. Given this important role, the validity and fidelity of hydrologic models is imperative. While extensive focus has been paid to improving hydrologic models through better process representation, better parameter estimation, and better uncertainty quantification, significant challenges remain. In this study, we explore a number of competing model calibration scenarios for simple, coupled snowmelt-runoff models to better understand the sensitivity / variability of parameterizations and its impact on model performance, robustness, fidelity, and transferability. Our analysis highlights the sensitivity of coupled snowmelt-runoff model parameterizations to alterations in calibration approach, underscores the concept of information content in hydrologic modeling, and provides insight into potential strategies for improving model robustness / fidelity.

  11. Slarti: A boundary condition editor for a coupled climate model

    Science.gov (United States)

    Mickelson, S. A.; Jacob, R. L.; Pierrehumbert, R.

    2006-12-01

    One of the largest barriers to making climate models more flexible is the difficulty in creating new boundary conditions, especially for "deep time" paleoclimate cases where continents are in different positions. Climate models consist of several mutually-interacting component models and the boundary conditions must be consistent between them. We have developed a program called Slarti which uses a Graphical User Interface and a set of consistency rules to aid researchers in creating new, consistent, boundary condition files for the Fast Ocean Atmosphere Model (FOAM). Users can start from existing mask, topography, or bathymetry data or can build a "world" entirely from scratch (e.g. a single island continent). Once a case has been started, users can modify mask, vegetation, bathymetry, topography, and river flow fields by drawing new data through a "paint" interface. Users activate a synchronization button which goes through the fields to eliminate inconsistencies. When the changes are complete and save is selected, Slarti creates all the necessary files for an initial run of FOAM. The data is edited at the highest resolution (the ocean-land surface in FOAM) and then interpolated to the atmosphere resolution. Slarti was implemented in Java to maintain portability across platforms. We also relied heavily on Java Swing components to create the interface. This allowed us to create an object-oriented interface that could be used on many different systems. Since Slarti allows users to visualize their changes, they are able to see areas that may cause problems when the model is ran. Some examples would be lakes from the river flow field and narrow trenches within the bathymetry. Through different checks and options available through its interface, Slarti makes the process of creating new boundary conditions for FOAM easier and faster while reducing the chance for user errors.

  12. Aespoe Pillar Stability Experiment. Final coupled 3D thermo-mechanical modeling. Preliminary particle mechanical modeling

    International Nuclear Information System (INIS)

    Wanne, Toivo; Johansson, Erik; Potyondy, David

    2004-02-01

    SKB is planning to perform a large-scale pillar stability experiment called APSE (Aespoe Pillar Stability Experiment) at Aespoe HRL. The study is focused on understanding and control of progressive rock failure in hard crystalline rock and damage caused by high stresses. The elastic thermo-mechanical modeling was carried out in three dimensions because of the complex test geometry and in-situ stress tensor by using a finite-difference modeling software FLAC3D. Cracking and damage formation were modeled in the area of interest (pillar between two large scale holes) in two dimensions by using the Particle Flow Code (PFC), which is based on particle mechanics. FLAC and PFC were coupled to minimize the computer resources and the computing time. According to the modeling the initial temperature rises from 15 deg C to about 65 deg C in the pillar area during the heating period of 120 days. The rising temperature due to thermal expansion induces stresses in the pillar area and after 120 days heating the stresses have increased about 33% from the excavation induced maximum stress of 150 MPa to 200 MPa in the end of the heating period. The results from FLAC3D model showed that only regions where the crack initiation stress has exceeded were identified and they extended to about two meters down the hole wall. These could be considered the areas where damage may occur during the in-situ test. When the other hole is pressurized with a 0.8 MPa confining pressure it yields that 5 MPa more stress is needed to damage the rock than without confining pressure. This makes the damaged area in some degree smaller. High compressive stresses in addition to some tensile stresses might induce some AE (acoustic emission) activity in the upper part of the hole from the very beginning of the test and are thus potential areas where AE activities may be detected. Monitoring like acoustic emissions will be measured during the test execution. The 2D coupled PFC-FLAC modeling indicated that

  13. Aespoe Pillar Stability Experiment. Final coupled 3D thermo-mechanical modeling. Preliminary particle mechanical modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wanne, Toivo; Johansson, Erik; Potyondy, David [Saanio and Riekkola Oy, Helsinki (Finland)

    2004-02-01

    SKB is planning to perform a large-scale pillar stability experiment called APSE (Aespoe Pillar Stability Experiment) at Aespoe HRL. The study is focused on understanding and control of progressive rock failure in hard crystalline rock and damage caused by high stresses. The elastic thermo-mechanical modeling was carried out in three dimensions because of the complex test geometry and in-situ stress tensor by using a finite-difference modeling software FLAC3D. Cracking and damage formation were modeled in the area of interest (pillar between two large scale holes) in two dimensions by using the Particle Flow Code (PFC), which is based on particle mechanics. FLAC and PFC were coupled to minimize the computer resources and the computing time. According to the modeling the initial temperature rises from 15 deg C to about 65 deg C in the pillar area during the heating period of 120 days. The rising temperature due to thermal expansion induces stresses in the pillar area and after 120 days heating the stresses have increased about 33% from the excavation induced maximum stress of 150 MPa to 200 MPa in the end of the heating period. The results from FLAC3D model showed that only regions where the crack initiation stress has exceeded were identified and they extended to about two meters down the hole wall. These could be considered the areas where damage may occur during the in-situ test. When the other hole is pressurized with a 0.8 MPa confining pressure it yields that 5 MPa more stress is needed to damage the rock than without confining pressure. This makes the damaged area in some degree smaller. High compressive stresses in addition to some tensile stresses might induce some AE (acoustic emission) activity in the upper part of the hole from the very beginning of the test and are thus potential areas where AE activities may be detected. Monitoring like acoustic emissions will be measured during the test execution. The 2D coupled PFC-FLAC modeling indicated that

  14. tbW anomalous couplings in the Two Higgs Doublet Model

    Energy Technology Data Exchange (ETDEWEB)

    Arhrib, Abdesslam; Jueid, Adil [Département de Mathématiques, Faculté des Sciences et Techniques,Université Abdelmalek Essaadi,B. 416, Tangier (Morocco)

    2016-08-11

    We make a complete one loop calculation of the tbW couplings in the Two Higgs Doublet Model. We evaluate both the anomalous couplings g{sub L} and g{sub R} as well as left handed and right handed component of tbW. The computation is done in the Feynman gauge using the on-shell scheme renormalization for the Standard Model wave functions and parameters. We first show that the relative corrections to these anomalous couplings are rather small in most regions of the parameter space. We then analyze the effects of these anomalous couplings on certain observables such as top quark polarization in single top production through t−channel as well as W{sup ±} boson helicity fractions in top decay.

  15. Coupled Modeling of Flow, Transport, and Deformation during Hydrodynamically Unstable Displacement in Fractured Rocks

    Science.gov (United States)

    Jha, B.; Juanes, R.

    2015-12-01

    Coupled processes of flow, transport, and deformation are important during production of hydrocarbons from oil and gas reservoirs. Effective design and implementation of enhanced recovery techniques such as miscible gas flooding and hydraulic fracturing requires modeling and simulation of these coupled proceses in geologic porous media. We develop a computational framework to model the coupled processes of flow, transport, and deformation in heterogeneous fractured rock. We show that the hydrocarbon recovery efficiency during unstable displacement of a more viscous oil with a less viscous fluid in a fractured medium depends on the mechanical state of the medium, which evolves due to permeability alteration within and around fractures. We show that fully accounting for the coupling between the physical processes results in estimates of the recovery efficiency in agreement with observations in field and lab experiments.

  16. Dynamics of quintessence models of dark energy with exponential coupling to dark matter

    International Nuclear Information System (INIS)

    Gonzalez, Tame; Leon, Genly; Quiros, Israel

    2006-01-01

    We explore quintessence models of dark energy which exhibit non-minimal coupling between the dark matter and dark energy components of the cosmic fluid. The kind of coupling chosen is inspired by scalar-tensor theories of gravity. We impose a suitable dynamics of the expansion allowing us to derive exact Friedmann-Robertson-Walker solutions once the coupling function is given as input. Self-interaction potentials of single and double exponential types emerge as a result of our choice of the coupling function. The stability and existence of the solutions are discussed in some detail. Although, in general, models with appropriate interaction between the components of the cosmic mixture are useful for handling the coincidence problem, in the present study this problem cannot be avoided due to the choice of solution generating ansatz

  17. Numerical simulation of the two-phase flows in a hydraulic coupling by solving VOF model

    International Nuclear Information System (INIS)

    Luo, Y; Zuo, Z G; Liu, S H; Fan, H G; Zhuge, W L

    2013-01-01

    The flow in a partially filled hydraulic coupling is essentially a gas-liquid two-phase flow, in which the distribution of two phases has significant influence on its characteristics. The interfaces between the air and the liquid, and the circulating flows inside the hydraulic coupling can be simulated by solving the VOF two-phase model. In this paper, PISO algorithm and RNG k–ε turbulence model were employed to simulate the phase distribution and the flow field in a hydraulic coupling with 80% liquid fill. The results indicate that the flow forms a circulating movement on the torus section with decreasing speed ratio. In the pump impeller, the air phase mostly accumulates on the suction side of the blades, while liquid on the pressure side; in turbine runner, air locates in the middle of the flow passage. Flow separations appear near the blades and the enclosing boundaries of the hydraulic coupling

  18. Magnetically coupled flextensional transducer for wideband vibration energy harvesting: Design, modeling and experiments

    Science.gov (United States)

    Zou, Hong-Xiang; Zhang, Wen-Ming; Li, Wen-Bo; Wei, Ke-Xiang; Hu, Kai-Ming; Peng, Zhi-Ke; Meng, Guang

    2018-03-01

    The combination of nonlinear bistable and flextensional mechanisms has the advantages of wide operating frequency and high equivalent piezoelectric constant. In this paper, three magnetically coupled flextensional vibration energy harvesters (MF-VEHs) are designed from three magnetically coupled vibration systems which utilize a magnetic repulsion, two symmetrical magnetic attractions and multi-magnetic repulsions, respectively. The coupled dynamic models are developed to describe the electromechanical transitions. Simulations under harmonic excitation and random excitation are carried out to investigate the performance of the MF-VEHs with different parameters. Experimental validations of the MF-VEHs are performed under different excitation levels. The experimental results verify that the developed mathematical models can be used to accurately characterize the MF-VEHs for various magnetic coupling modes. A comparison of three MF-VEHs is provided and the results illustrate that a reasonable arrangement of multiple magnets can reduce the threshold excitation intensity and increase the harvested energy.

  19. Three-loop Standard Model effective potential at leading order in strong and top Yukawa couplings

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Stephen P. [Santa Barbara, KITP

    2014-01-08

    I find the three-loop contribution to the effective potential for the Standard Model Higgs field, in the approximation that the strong and top Yukawa couplings are large compared to all other couplings, using dimensional regularization with modified minimal subtraction. Checks follow from gauge invariance and renormalization group invariance. I also briefly comment on the special problems posed by Goldstone boson contributions to the effective potential, and on the numerical impact of the result on the relations between the Higgs vacuum expectation value, mass, and self-interaction coupling.

  20. Comparative analysis of coupled creep-damage model implementations and application

    International Nuclear Information System (INIS)

    Bhandari, S.; Feral, X.; Bergheau, J.M.; Mottet, G.; Dupas, P.; Nicolas, L.

    1998-01-01

    Creep rupture of a reactor pressure vessel in a severe accident occurs after complex load and temperature histories leading to interactions between creep deformations, stress relaxation, material damaging and plastic instability. The concepts of continuous damage introduced by Kachanov and Robotnov allow to formulate models coupling elasto-visco-plasticity and damage. However, the integration of such models in a finite element code creates some difficulties related to the strong non-linearity of the constitutive equations. It was feared that different methods of implementation of such a model might lead to different results which, consequently, might limit the application and usefulness of such a model. The Commissariat a l'Energie Atomique (CEA), Electricite de France (EDF) and Framasoft (FRA) have worked out numerical solutions to implement such a model in respectively CASTEM 2000, ASTER and SYSTUS codes. A ''benchmark'' was set up, chosen on the basis of a cylinder studied in the programme ''RUPTHER''. The aim of this paper is not to enter into the numerical details of the implementation of the model, but to present the results of the comparative study made using the three codes mentioned above, on a case of engineering interest. The results of the coupled model will also be compared to an uncoupled model to evaluate differences one can obtain between a simple uncoupled model and a more sophisticated coupled model. The main conclusion drawn from this study is that the different numerical implementations used for the coupled damage-visco-plasticity model give quite consistent results. The numerical difficulty inherent to the integration of the strongly non-linear constitutive equations have been resolved using Runge-Kutta or mid-point rule. The usefulness of the coupled model comes from the fact the uncoupled model leads to too conservative results, at least in the example treated and in particular for the uncoupled analysis under the hypothesis of the small

  1. Recent Advances in Modeling of the Atmospheric Boundary Layer and Land Surface in the Coupled WRF-CMAQ Model

    Science.gov (United States)

    Advances in the land surface model (LSM) and planetary boundary layer (PBL) components of the WRF-CMAQ coupled meteorology and air quality modeling system are described. The aim of these modifications was primarily to improve the modeling of ground level concentrations of trace c...

  2. WEB-DHM: A distributed biosphere hydrological model developed by coupling a simple biosphere scheme with a hillslope hydrological model

    Science.gov (United States)

    The coupling of land surface models and hydrological models potentially improves the land surface representation, benefiting both the streamflow prediction capabilities as well as providing improved estimates of water and energy fluxes into the atmosphere. In this study, the simple biosphere model 2...

  3. Cranking model interpretation of weakly coupled bands in Hg isotopes

    International Nuclear Information System (INIS)

    Guttormsen, M.; Huebel, H.

    1982-01-01

    The positive-parity yrast states of the transitional sup(189-198)Hg isotopes are interpreted within the Bengtsson and Frauendorf version of the cranking model. The very sharp backbendings can be explained by small interaction matrix elements between the ground and s-bands. The experimentally observed large aligned angular momenta and the low band-crossing frequencies are well reproduced in the calculations. (orig.)

  4. Coupling between phosphate and calcium homeostasis: a mathematical model.

    Science.gov (United States)

    Granjon, David; Bonny, Olivier; Edwards, Aurélie

    2017-12-01

    We developed a mathematical model of calcium (Ca) and phosphate (PO 4 ) homeostasis in the rat to elucidate the hormonal mechanisms that underlie the regulation of Ca and PO 4 balance. The model represents the exchanges of Ca and PO 4 between the intestine, plasma, kidneys, bone, and the intracellular compartment, and the formation of Ca-PO 4 -fetuin-A complexes. It accounts for the regulation of these fluxes by parathyroid hormone (PTH), vitamin D 3 , fibroblast growth factor 23, and Ca 2+ -sensing receptors. Our results suggest that the Ca and PO 4 homeostatic systems are robust enough to handle small perturbations in the production rate of either PTH or vitamin D 3 The model predicts that large perturbations in PTH or vitamin D 3 synthesis have a greater impact on the plasma concentration of Ca 2+ ([Ca 2+ ] p ) than on that of PO 4 ([PO 4 ] p ); due to negative feedback loops, [PO 4 ] p does not consistently increase when the production rate of PTH or vitamin D 3 is decreased. Our results also suggest that, following a large PO 4 infusion, the rapidly exchangeable pool in bone acts as a fast, transient storage PO 4 compartment (on the order of minutes), whereas the intracellular pool is able to store greater amounts of PO 4 over several hours. Moreover, a large PO 4 infusion rapidly lowers [Ca 2+ ] p owing to the formation of CaPO 4 complexes. A large Ca infusion, however, has a small impact on [PO 4 ] p , since a significant fraction of Ca binds to albumin. This mathematical model is the first to include all major regulatory factors of Ca and PO 4 homeostasis. Copyright © 2017 the American Physiological Society.

  5. A Coupled Plastic Damage Model for Concrete considering the Effect of Damage on Plastic Flow

    OpenAIRE

    Zhou, Feng; Cheng, Guangxu

    2015-01-01

    A coupled plastic damage model with two damage scalars is proposed to describe the nonlinear features of concrete. The constitutive formulations are developed by assuming that damage can be represented effectively in the material compliance tensor. Damage evolution law and plastic damage coupling are described using the framework of irreversible thermodynamics. The plasticity part is developed without using the effective stress concept. A plastic yield function based on the true stress is ado...

  6. The effects of the tensor coupling term in the Zimanyi-Moszkowski model for unpolarized nuclear matter

    International Nuclear Information System (INIS)

    Ru-Keng Su; Li Li; Hong-Qiu Song

    1998-01-01

    The effects of the tensor coupling term on nuclear matter in the Zimanyi-Moszkowki (ZM) model are investigated. It is shown that the tensor coupling term in the ZM model leaves the thermodynamical properties of nuclear matter almost unchanged. The corrections of tensor coupling to the critical point of the liquid-gas phase transition are given. (author)

  7. 2-way coupling the hydrological land surface model PROMET with the regional climate model MM5

    Directory of Open Access Journals (Sweden)

    F. Zabel

    2013-05-01

    Full Text Available Most land surface hydrological models (LSHMs consider land surface processes (e.g. soil–plant–atmosphere interactions, lateral water flows, snow and ice in a spatially detailed manner. The atmosphere is considered as exogenous driver, neglecting feedbacks between the land surface and the atmosphere. On the other hand, regional climate models (RCMs generally simulate land surface processes through coarse descriptions and spatial scales but include land–atmosphere interactions. What is the impact of the differently applied model physics and spatial resolution of LSHMs on the performance of RCMs? What feedback effects are induced by different land surface models? This study analyses the impact of replacing the land surface module (LSM within an RCM with a high resolution LSHM. A 2-way coupling approach was applied using the LSHM PROMET (1 × 1 km2 and the atmospheric part of the RCM MM5 (45 × 45 km2. The scaling interface SCALMET is used for down- and upscaling the linear and non-linear fluxes between the model scales. The change in the atmospheric response by MM5 using the LSHM is analysed, and its quality is compared to observations of temperature and precipitation for a 4 yr period from 1996 to 1999 for the Upper Danube catchment. By substituting the Noah-LSM with PROMET, simulated non-bias-corrected near-surface air temperature improves for annual, monthly and daily courses when compared to measurements from 277 meteorological weather stations within the Upper Danube catchment. The mean annual bias was improved from −0.85 to −0.13 K. In particular, the improved afternoon heating from May to September is caused by increased sensible heat flux and decreased latent heat flux as well as more incoming solar radiation in the fully coupled PROMET/MM5 in comparison to the NOAH/MM5 simulation. Triggered by the LSM replacement, precipitation overall is reduced; however simulated precipitation amounts are still of high uncertainty, both

  8. Report on Modeling Coupled Processes in the Near Field of a Clay Repository

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hui -Hai [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Houseworth, Jim [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Rutqvist, Jonny [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Li, Lianchong [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Asahina, Daisuke [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Chen, Fei [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Birkholzer, Jens [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2012-08-01

    Clay/shale has been considered as potential host rock for geological disposal of high-level radioactive waste throughout the world. Coupled thermal, hydrological, mechanical, and chemical (THMC) processes have a significant impact on the long-term safety of a clay repository. For example, the excavation damaged zone (EDZ) near repository tunnels can modify local permeability (resulting from induced fractures), potentially leading to less confinement capability. This report documents results from three R&D activities: (1) implementation and validation of constitutive relationships, (2) development of a discrete fracture network (DFN) model for investigating coupled processes in the EDZ, and (3) development of a THM model for the FE tests at Mont Terri, Switzerland, for the purpose of model validation. The overall objective of these activities is to provide an improved understanding of EDZ evolution in clay repositories and the associated coupled processes, and to develop advanced relevant modeling capabilities.

  9. A Unified Air-Sea Interface in Fully Coupled Atmosphere-Wave-Ocean Models for Data Assimilation and Ensemble Prediction

    Science.gov (United States)

    Chen, Shuyi; Curcic, Milan; Donelan, Mark; Campbell, Tim; Smith, Travis; Chen, Sue; Allard, Rick; Michalakes, John

    2014-05-01

    The goals of this study are to 1) better understand the physical processes controlling air-sea interaction and their impact on coastal marine and storm predictions, 2) explore the use of coupled atmosphere-ocean observations in model verification and data assimilation, and 3) develop a physically based and computationally efficient coupling at the air-sea interface that is flexible for use in a multi-model system and portable for transition to the next generation research and operational coupled atmosphere-wave-ocean-land models. We have developed a unified air-sea interface module that couples multiple atmosphere, wave, and ocean models using the Earth System Modeling Framework (ESMF). This standardized coupling framework allows researchers to develop and test air-sea coupling parameterizations and coupled data assimilation, and to better facilitate research-to-operation activities. It also allows for future ensemble forecasts using coupled models that can be used for coupled data assimilation and assessment of uncertainties in coupled model predictions. The current component models include two atmospheric models (WRF and COAMPS), two ocean models (HYCOM and NCOM), and two wave models (UMWM and SWAN). The coupled modeling systems have been tested and evaluated using the coupled air-sea observations (e.g., GPS dropsondes and AXBTs, drifters and floats) collected in recent field campaigns in the Gulf of Mexico and tropical cyclones in the Atlantic and Pacific basins. This talk will provide an overview of the unified air-sea interface model and fully coupled atmosphere-wave-ocean model predictions over various coastal regions and tropical cyclones in the Pacific and Atlantic basins including an example from coupled ensemble prediction of Superstorm Sandy (2012).

  10. Muscle activation described with a differential equation model for large ensembles of locally coupled molecular motors.

    Science.gov (United States)

    Walcott, Sam

    2014-10-01

    Molecular motors, by turning chemical energy into mechanical work, are responsible for active cellular processes. Often groups of these motors work together to perform their biological role. Motors in an ensemble are coupled and exhibit complex emergent behavior. Although large motor ensembles can be modeled with partial differential equations (PDEs) by assuming that molecules function independently of their neighbors, this assumption is violated when motors are coupled locally. It is therefore unclear how to describe the ensemble behavior of the locally coupled motors responsible for biological processes such as calcium-dependent skeletal muscle activation. Here we develop a theory to describe locally coupled motor ensembles and apply the theory to skeletal muscle activation. The central idea is that a muscle filament can be divided into two phases: an active and an inactive phase. Dynamic changes in the relative size of these phases are described by a set of linear ordinary differential equations (ODEs). As the dynamics of the active phase are described by PDEs, muscle activation is governed by a set of coupled ODEs and PDEs, building on previous PDE models. With comparison to Monte Carlo simulations, we demonstrate that the theory captures the behavior of locally coupled ensembles. The theory also plausibly describes and predicts muscle experiments from molecular to whole muscle scales, suggesting that a micro- to macroscale muscle model is within reach.

  11. Investigation of hurricane Ivan using the coupled ocean-atmosphere-wave-sediment transport (COAWST) model

    Science.gov (United States)

    Zambon, Joseph B.; He, Ruoying; Warner, John C.

    2014-01-01

    The coupled ocean–atmosphere–wave–sediment transport (COAWST) model is used to hindcast Hurricane Ivan (2004), an extremely intense tropical cyclone (TC) translating through the Gulf of Mexico. Sensitivity experiments with increasing complexity in ocean–atmosphere–wave coupled exchange processes are performed to assess the impacts of coupling on the predictions of the atmosphere, ocean, and wave environments during the occurrence of a TC. Modest improvement in track but significant improvement in intensity are found when using the fully atmosphere–ocean-wave coupled configuration versus uncoupled (e.g., standalone atmosphere, ocean, or wave) model simulations. Surface wave fields generated in the fully coupled configuration also demonstrates good agreement with in situ buoy measurements. Coupled and uncoupled model-simulated sea surface temperature (SST) fields are compared with both in situ and remote observations. Detailed heat budget analysis reveals that the mixed layer temperature cooling in the deep ocean (on the shelf) is caused primarily by advection (equally by advection and diffusion).

  12. Fermionic extensions of the Standard Model in light of the Higgs couplings

    Science.gov (United States)

    Bizot, Nicolas; Frigerio, Michele

    2016-01-01

    As the Higgs boson properties settle, the constraints on the Standard Model extensions tighten. We consider all possible new fermions that can couple to the Higgs, inspecting sets of up to four chiral multiplets. We confront them with direct collider searches, electroweak precision tests, and current knowledge of the Higgs couplings. The focus is on scenarios that may depart from the decoupling limit of very large masses and vanishing mixing, as they offer the best prospects for detection. We identify exotic chiral families that may receive a mass from the Higgs only, still in agreement with the hγγ signal strength. A mixing θ between the Standard Model and non-chiral fermions induces order θ 2 deviations in the Higgs couplings. The mixing can be as large as θ ˜ 0 .5 in case of custodial protection of the Z couplings or accidental cancellation in the oblique parameters. We also notice some intriguing effects for much smaller values of θ, especially in the lepton sector. Our survey includes a number of unconventional pairs of vector-like and Majorana fermions coupled through the Higgs, that may induce order one corrections to the Higgs radiative couplings. We single out the regions of parameters where hγγ and hgg are unaffected, while the hγZ signal strength is significantly modified, turning a few times larger than in the Standard Model in two cases. The second run of the LHC will effectively test most of these scenarios.

  13. Folding-type coupling potentials in the context of the generalized rotation-vibration model

    Science.gov (United States)

    Chamon, L. C.; Morales Botero, D. F.

    2018-03-01

    The generalized rotation-vibration model was proposed in previous works to describe the structure of heavy nuclei. The model was successfully tested in the description of experimental results related to the electron-nucleus elastic and inelastic scattering. In the present work, we consider heavy-ion collisions and assume this model to calculate folding-type coupling potentials for inelastic states, through the corresponding transition densities. As an example, the method is applied to coupled-channel data analyses for the α + 70,72,74,76Ge systems.

  14. 3D modelling of coupled mass and heat transfer of a convection-oven roasting process

    DEFF Research Database (Denmark)

    Feyissa, Aberham Hailu; Adler-Nissen, Jens; Gernaey, Krist

    2013-01-01

    A 3D mathematical model of coupled heat and mass transfer describing oven roasting of meat has been developed from first principles. The proposed mechanism for the mass transfer of water is modified and based on a critical literature review of the effect of heat on meat. The model equations...... are based on a conservation of mass and energy, coupled through Darcy's equations of porous media - the water flow is mainly pressure-driven. The developed model together with theoretical and experimental assessments were used to explain the heat and water transport and the effect of the change...

  15. Possible evolution of a bouncing universe in cosmological models with non-minimally coupled scalar fields

    International Nuclear Information System (INIS)

    Pozdeeva, Ekaterina O.; Vernov, Sergey Yu.; Skugoreva, Maria A.; Toporensky, Alexey V.

    2016-01-01

    We explore dynamics of cosmological models with bounce solutions evolving on a spatially flat Friedmann-Lemaître-Robertson-Walker background. We consider cosmological models that contain the Hilbert-Einstein curvature term, the induced gravity term with a negative coupled constant, and even polynomial potentials of the scalar field. Bounce solutions with non-monotonic Hubble parameters have been obtained and analyzed. The case when the scalar field has the conformal coupling and the Higgs-like potential with an opposite sign is studied in detail. In this model the evolution of the Hubble parameter of the bounce solution essentially depends on the sign of the cosmological constant.

  16. High precision NC lathe feeding system rigid-flexible coupling model reduction technology

    Science.gov (United States)

    Xuan, He; Hua, Qingsong; Cheng, Lianjun; Zhang, Hongxin; Zhao, Qinghai; Mao, Xinkai

    2017-08-01

    This paper proposes the use of dynamic substructure method of reduction of order to achieve effective reduction of feed system for high precision NC lathe feeding system rigid-flexible coupling model, namely the use of ADAMS to establish the rigid flexible coupling simulation model of high precision NC lathe, and then the vibration simulation of the period by using the FD 3D damper is very effective for feed system of bolt connection reduction of multi degree of freedom model. The vibration simulation calculation is more accurate, more quickly.

  17. Investigating Margin and Grounding Line Dynamics with a Coupled Ice and Sea Level Model

    Science.gov (United States)

    Kuchar, J.; Milne, G. A.

    2017-12-01

    We present results from the coupling of an adaptive mesh glaciological model (BISICLES) with a model of glacial isostatic adjustment and sea level. We apply this coupled model to study the deglaciation of the Greenland Ice Sheet (GrIS) from the last glacial maximum. The proximity of the GrIS to the much larger Laurentide results in an east-west gradient in sea level rates across Greenland during the deglaciation. We investigate the impacts of this sea level gradient on ice and grounding line dynamics at the margins, as well as the influence of both local and non-local ice on sea level and ice dynamics.

  18. Parametric model of servo-hydraulic actuator coupled with a nonlinear system: Experimental validation

    Science.gov (United States)

    Maghareh, Amin; Silva, Christian E.; Dyke, Shirley J.

    2018-05-01

    Hydraulic actuators play a key role in experimental structural dynamics. In a previous study, a physics-based model for a servo-hydraulic actuator coupled with a nonlinear physical system was developed. Later, this dynamical model was transformed into controllable canonical form for position tracking control purposes. For this study, a nonlinear device is designed and fabricated to exhibit various nonlinear force-displacement profiles depending on the initial condition and the type of materials used as replaceable coupons. Using this nonlinear system, the controllable canonical dynamical model is experimentally validated for a servo-hydraulic actuator coupled with a nonlinear physical system.

  19. Coupling model of energy consumption with changes in environmental utility

    International Nuclear Information System (INIS)

    He Hongming; Jim, C.Y.

    2012-01-01

    This study explores the relationships between metropolis energy consumption and environmental utility changes by a proposed Environmental Utility of Energy Consumption (EUEC) model. Based on the dynamic equilibrium of input–output economics theory, it considers three simulation scenarios: fixed-technology, technological-innovation, and green-building effect. It is applied to analyse Hong Kong in 1980–2007. Continual increase in energy consumption with rapid economic growth degraded environmental utility. First, energy consumption at fixed-technology was determined by economic outcome. In 1990, it reached a critical balanced state when energy consumption was 22×10 9 kWh. Before 1990 (x 1 9 kWh), rise in energy consumption improved both economic development and environmental utility. After 1990 (x 1 >22×10 9 kWh), expansion of energy consumption facilitated socio-economic development but suppressed environmental benefits. Second, technological-innovation strongly influenced energy demand and improved environmental benefits. The balanced state remained in 1999 when energy consumption reached 32.33×10 9 kWh. Technological-innovation dampened energy consumption by 12.99%, exceeding the fixed-technology condition. Finally, green buildings reduced energy consumption by an average of 17.5% in 1990–2007. They contributed significantly to energy saving, and buffered temperature fluctuations between external and internal environment. The case investigations verified the efficiency of the EUEC model, which can effectively evaluate the interplay of energy consumption and environmental quality. - Highlights: ► We explore relationships between metropolis energy consumption and environmental utility. ► An Environmental Utility of Energy Consumption (EUEC) model is proposed. ► Technological innovation mitigates energy consumption impacts on environmental quality. ► Technological innovation decreases demand of energy consumption more than fixed technology scenario

  20. Modelling Ca2+ bound Troponin in Excitation Contraction Coupling

    Directory of Open Access Journals (Sweden)

    Henry G. Zot

    2016-09-01

    Full Text Available To explain disparate decay rates of cytosolic Ca2+ and structural changes in the thin filaments during a twitch, we model the time course of Ca2+ bound troponin (Tn resulting from the free Ca2+ transient of fast skeletal muscle. In fibers stretched beyond overlap, the decay of Ca2+ as measured by a change in fluo 3 fluorescence is significantly slower than the intensity decay of the meridional 1/38.5 nm-1 reflection of Tn; this is not simply explained by considering only the Ca2+ binding properties of Tn alone (Matsuo, T., Iwamoto, H., and Yagi, N. (2010. Biophys. J. 99, 193-200. We apply a comprehensive model that includes the known Ca2+ binding properties of Tn in the context of the thin filament with and without cycling crossbridges. Calculations based on the model predict that the transient of Ca2+ bound Tn correlates with either the fluo 3 time course in muscle with overlapping thin and thick filaments or the intensity of the meridional 1/38.5 nm-1 reflection in overstretched muscle. Hence, cycling crossbridges delay the dissociation of Ca2+ from Tn. Correlation with the fluo 3 fluorescence change is not causal given that the transient of Ca2+ bound Tn depends on sarcomere length, whereas the fluo-3 fluorescence change does not. Transient positions of tropomyosin calculated from the time course of Ca2+ bound Tn are in reasonable agreement with the transient of measured perturbations of the Tn repeat in overlap and non-overlap muscle preparations.

  1. Leptogenesis in a neutrino mass model coupled with inflaton

    Directory of Open Access Journals (Sweden)

    Daijiro Suematsu

    2016-09-01

    Full Text Available We propose a scenario for the generation of baryon number asymmetry based on the inflaton decay in a radiative neutrino mass model extended with singlet scalars. In this scenario, lepton number asymmetry is produced through the decay of non-thermal right-handed neutrinos caused from the inflaton decay. Since the amount of non-thermal right-handed neutrinos could be much larger than the thermal ones, the scenario could work without any resonance effect for rather low reheating temperature. Sufficient baryon number asymmetry can be generated for much lighter right-handed neutrinos compared with the Davidson–Ibarra bound.

  2. Computer model of a reverberant and parallel circuit coupling

    Science.gov (United States)

    Kalil, Camila de Andrade; de Castro, Maria Clícia Stelling; Cortez, Célia Martins

    2017-11-01

    The objective of the present study was to deepen the knowledge about the functioning of the neural circuits by implementing a signal transmission model using the Graph Theory in a small network of neurons composed of an interconnected reverberant and parallel circuit, in order to investigate the processing of the signals in each of them and the effects on the output of the network. For this, a program was developed in C language and simulations were done using neurophysiological data obtained in the literature.

  3. Separation of Enantiomers by Preferential Crystallization: Mathematical Modeling of a Coupled Crystallizer Configuration

    DEFF Research Database (Denmark)

    Chaaban, Joussef Hussein; Dam-Johansen, Kim; Skovby, Tommy

    2014-01-01

    A mathematical model describing the separation of enantiomers by simultaneous preferential crystallization in a coupled crystallizer configuration is developed. The model was validated against experimental data for a chemical model compound, the conglomerate forming system of asparagine monohydrate....... The racemic compound and the pure enantiomer can be separated simultaneously in each crystallizer, having sufficient enrichment of the pure enantiomer in the feed solution. The model can also be extended to represent a fully continuous separation process taking into account the continuous supply...

  4. Model of natural ventilation by using a coupled thermal-airflow simulation program

    DEFF Research Database (Denmark)

    Oropeza-Perez, Ivan; Østergaard, Poul Alberg; Remmen, Arne

    2012-01-01

    This article presents a model of natural ventilation of buildings at the stage of design and a consequence of the behaviour of the occupants. An evaluation is made by coupling multizone air modelling and thermal building simulation using a deterministic set of input factors comprising among others...

  5. Development and Validation of an Enhanced Coupled-Field Model for PZT Cantilever Bimorph Energy Harvester

    Directory of Open Access Journals (Sweden)

    Long Zhang

    2013-01-01

    Full Text Available The power source with the limited life span has motivated the development of the energy harvesters that can scavenge the ambient environment energy and convert it into the electrical energy. With the coupled field characteristics of structure to electricity, piezoelectric energy harvesters are under consideration as a means of converting the mechanical energy to the electrical energy, with the goal of realizing completely self-powered sensor systems. In this paper, two previous models in the literatures for predicting the open-circuit and close-circuit voltages of a piezoelectric cantilever bimorph (PCB energy harvester are first described, that is, the mechanical equivalent spring mass-damper model and the electrical equivalent circuit model. Then, the development of an enhanced coupled field model for the PCB energy harvester based on another previous model in the literature using a conservation of energy method is presented. Further, the laboratory experiments are carried out to evaluate the enhanced coupled field model and the other two previous models in the literatures. The comparison results show that the enhanced coupled field model can better predict the open-circuit and close-circuit voltages of the PCB energy harvester with a proof mass bonded at the free end of the structure in order to increase the energy-harvesting level of the system.

  6. Coupling Biophysical and Socioeconomic Models for Coral Reef Systems in Quintana Roo, Mexican Caribbean

    Directory of Open Access Journals (Sweden)

    Jessica Melbourne-Thomas

    2011-09-01

    Full Text Available Transdisciplinary approaches that consider both socioeconomic and biophysical processes are central to understanding and managing rapid change in coral reef systems worldwide. To date, there have been limited attempts to couple the two sets of processes in dynamic models for coral reefs, and these attempts are confined to reef systems in developed countries. We present an approach to coupling existing biophysical and socioeconomic models for coral reef systems in the Mexican state of Quintana Roo. The biophysical model is multiscale, using dynamic equations to capture local-scale ecological processes on individual reefs, with reefs connected at regional scales by the ocean transport of larval propagules. The agent-based socioeconomic model simulates changes in tourism, fisheries, and urbanization in the Quintana Roo region. Despite differences in the formulation and currencies of the two models, we were able to successfully modify and integrate them to synchronize and define information flows and feedbacks between them. A preliminary evaluation of the coupled model system indicates that the model gives reasonable predictions for fisheries and ecological variables and can be used to examine scenarios for future social-ecological change in Quintana Roo. We provide recommendations for where efforts might usefully be focused in future attempts to integrate models of biophysical and socioeconomic processes, based on the limitations of our coupled system.

  7. Matrix Solution of Coupled Differential Equations and Looped Car Following Models

    Science.gov (United States)

    McCartney, Mark

    2008-01-01

    A simple mathematical model for the behaviour of how vehicles follow each other along a looped stretch of road is described. The resulting coupled first order differential equations are solved using appropriate matrix techniques and the physical significance of the model is discussed. A number possible classroom exercises are suggested to help…

  8. Numerical modeling of coupled heat transfer and phase transformation for solidification of the gray cast iron

    DEFF Research Database (Denmark)

    Jabbari, Masoud; Hosseinzadeh, Azin

    2013-01-01

    In the present study the numerical model in 2D is used to study the solidification bahavior of the gray cast iron. The conventional heat transfer is coupled with the proposed micro-model to predict the amount of different phases, i.e. total austenite (c) phase, graphite (G) and cementite (C...

  9. Improving the Amazonian Hydrologic Cycle in a Coupled Land-Atmosphere, Single Column Model

    Science.gov (United States)

    Harper, A. B.; Denning, S.; Baker, I.; Prihodko, L.; Branson, M.

    2006-12-01

    We have coupled a land-surface model, the Simple Biosphere Model (SiB3), to a single column of the Colorado State University General Circulation Model (CSU-GCM) in the Amazon River Basin. This is a preliminary step in the broader goal of improved simulation of Basin-wide hydrology. A previous version of the coupled model (SiB2) showed drought and catastrophic dieback of the Amazon rain forest. SiB3 includes updated soil hydrology and root physiology. Our test area for the coupled single column model is near Santarem, Brazil, where measurements from the km 83 flux tower in the Tapajos National Forest can be used to evaluate model output. The model was run for 2001 using NCEP2 Reanalysis as driver data. Preliminary results show that the updated biosphere model coupled to the GCM produces improved simulations of the seasonal cycle of surface water balance and precipitation. Comparisons of the diurnal and seasonal cycles of surface fluxes are also being made.

  10. Higher dimensional models of cross-coupled oscillators and application to design

    KAUST Repository

    Elwakil, Ahmed S.; Salama, Khaled N.

    2010-01-01

    We present four-dimensional and five-dimensional models for classical cross-coupled LC oscillators. Using these models, sinusoidal oscillation condition, frequency and amplitude can be found. Further, undesired behaviors such as relaxation-mode oscillations and latchup can be explained and detected. A simple graphical design procedure is also described. © 2010 World Scientific Publishing Company.

  11. Non-linear auto-regressive models for cross-frequency coupling in neural time series

    Science.gov (United States)

    Tallot, Lucille; Grabot, Laetitia; Doyère, Valérie; Grenier, Yves; Gramfort, Alexandre

    2017-01-01

    We address the issue of reliably detecting and quantifying cross-frequency coupling (CFC) in neural time series. Based on non-linear auto-regressive models, the proposed method provides a generative and parametric model of the time-varying spectral content of the signals. As this method models the entire spectrum simultaneously, it avoids the pitfalls related to incorrect filtering or the use of the Hilbert transform on wide-band signals. As the model is probabilistic, it also provides a score of the model “goodness of fit” via the likelihood, enabling easy and legitimate model selection and parameter comparison; this data-driven feature is unique to our model-based approach. Using three datasets obtained with invasive neurophysiological recordings in humans and rodents, we demonstrate that these models are able to replicate previous results obtained with other metrics, but also reveal new insights such as the influence of the amplitude of the slow oscillation. Using simulations, we demonstrate that our parametric method can reveal neural couplings with shorter signals than non-parametric methods. We also show how the likelihood can be used to find optimal filtering parameters, suggesting new properties on the spectrum of the driving signal, but also to estimate the optimal delay between the coupled signals, enabling a directionality estimation in the coupling. PMID:29227989

  12. On the comparison between seasonal predictive skill of global circulation models: Coupled versus uncoupled

    CSIR Research Space (South Africa)

    Beraki, AF

    2015-11-01

    Full Text Available The study compares one- and two-tiered forecasting systems as represented by the South African Weather Service Coupled Model and its atmosphere-only version. In this comparative framework, the main difference between these global climate models...

  13. Local control on precipitation in a fully coupled climate-hydrology model

    DEFF Research Database (Denmark)

    Larsen, Morten A. D.; Christensen, Jens H.; Drews, Martin

    2016-01-01

    simulations of precipitation often exhibit substantial biases that affect the reliability of future projections. Here we demonstrate how a regional climate model (RCM) coupled to a distributed hydrological catchment model that fully integrates water and energy fluxes between the subsurface, land surface...

  14. A multiscale model on hospital infections coupling macro and micro dynamics

    Science.gov (United States)

    Wang, Xia; Tang, Sanyi

    2017-09-01

    A multiscale model of hospital infections coupling the micro model of the growth of bacteria and the macro model describing the transmission of the bacteria among patients and health care workers (HCWs) was established to investigate the effects of antibiotic treatment on the transmission of the bacteria among patients and HCWs. The model was formulated by viewing the transmission rate from infected patients to HCWs and the shedding rate of bacteria from infected patients to the environment as saturated functions of the within-host bacterial load. The equilibria and the basic reproduction number of the coupled system were studied, and the global dynamics of the disease free equilibrium and the endemic equilibrium were analyzed in detail by constructing two Lyapunov functions. Furthermore, effects of drug treatment in the within-host model on the basic reproduction number and the dynamics of the coupled model were studied by coupling a pharmacokinetics model with the within-host model. Sensitive analysis indicated that the growth rate of the bacteria, the maximum drug effect and the dosing interval are the three most sensitive parameters contributing to the basic reproduction number. Thus, adopting ;wonder; drugs to decrease the growth rate of the bacteria or to increase the drug's effect is the most effective measure but changing the dosage regime is also effective. A quantitative criterion of how to choose the best dosage regimen can also be obtained from numerical results.

  15. Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

    NARCIS (Netherlands)

    Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.

    2013-01-01

    A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the

  16. Higher dimensional models of cross-coupled oscillators and application to design

    KAUST Repository

    Elwakil, Ahmed S.

    2010-06-01

    We present four-dimensional and five-dimensional models for classical cross-coupled LC oscillators. Using these models, sinusoidal oscillation condition, frequency and amplitude can be found. Further, undesired behaviors such as relaxation-mode oscillations and latchup can be explained and detected. A simple graphical design procedure is also described. © 2010 World Scientific Publishing Company.

  17. COUPLED ATOMIZATION AND SPRAY MODELLING IN THE SPRAY FORMING PROCESS USING OPENFOAM

    DEFF Research Database (Denmark)

    Gjesing, Rasmus; Hattel, Jesper Henri; Fritsching, Udo

    2009-01-01

    The paper presents a numerical model capable of simulating the atomization, break-up and in-flight spray phenomena in the spray forming process. The model is developed and implemented in the freeware code openFOAM. The focus is on studying the coupling effect of the melt break-up phenomena...

  18. Lagrangian derivation of the two coupled field equations in the Janus cosmological model

    Science.gov (United States)

    Petit, Jean-Pierre; D'Agostini, G.

    2015-05-01

    After a review citing the results obtained in previous articles introducing the Janus Cosmological Model, consisting of a set of two coupled field equations, where one metrics refers to the positive masses and the other to the negative masses, which explains the observed cosmic acceleration and the nature of dark energy, we present the Lagrangian derivation of the model.

  19. A fully coupled air foil bearing model considering friction – Theory & experiment

    DEFF Research Database (Denmark)

    von Osmanski, Alexander Sebastian; Larsen, Jon Steffen; Santos, Ilmar

    2017-01-01

    The dynamics of air foil bearings (AFBs) are not yet fully captured by any model. The recent years have, however, seen promising results from nonlinear time domain models, and simultaneously coupled formulations are now available, avoiding the previous requirements for undesirably small time steps...

  20. A Coupled Chemical and Mass Transport Model for Concrete Durability

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2012-01-01

    -Raphson iteration scheme arising from the non-linearity. The overall model is a transient problem, solved using a single parameter formulation. The sorption hysteresis and chemical equilibrium is included as source or sink terms. The advantages with this formulation is that each node in the discrete system has...... their individual sorption hysteresis isotherm which is of great importance when describing non fully water saturated system e.g. caused by time depended boundary conditions. Chemical equilibrium is also established in each node of the discrete system, where the rate of chemical degradation is determined.......g. charge balance, from the mass transport calculation could cause the above mentioned numerical problems. Two different test cases are studied, the sorption hysteresis in different depth of the sample, caused by time depended boundary condition and the chemical degradation of the solid matrix in a ten year...