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Sample records for pair coulomb interaction

  1. Coulomb interactions and fermion condensation

    SciTech Connect

    Capstick, S.; Cutkosky, R.E.; Joensen, M.A. ); Wang, K.C. )

    1990-08-15

    The influence of the Coulomb interaction in states containing massless and flavorless fermion-antifermion pairs is studied, using a continuum formulation within the finite volume {ital S}{sup 3}. Several different forms for the Coulomb interaction are examined, including confining potentials as well as nonconfining potentials. The calculations show that if the interaction is strong enough, the Coulomb interaction leads to condensation of pairs, and that this condensation has a chiral character. The condensation does not depend on whether the interaction is confining. It is found that simplified variational approximations are not accurate enough for an adequate description of the states.

  2. Existence and consequences of Coulomb pairing of electrons in a solid

    SciTech Connect

    Mahajan, S.M.; Thyagaraja, A.

    1996-11-01

    It is shown from first principles that, in the periodic potential of a crystalline solid, short-range (i.e., screened) binary Coulomb interactions can lead to a two-electron bound state. It is further suggested that these composite bosonic states (charge -2e, and typically spin zero) could mediate an effectively attractive interaction between pairs of conduction electrons close to the Fermi level. This necessarily short range attractive interaction, which is crucially dependent on the band structure of the solid, and is complementary to the phonon-mediated one, may provide a source for the existence and properties of short correlation-length electron pairs (analogous to but distinct from Cooper pairs) needed to understand high temperature superconductivity. Several distinctive and observable characteristics of the proposed pairing scheme are discussed.

  3. Off-shell Jost solutions for Coulomb and Coulomb-like interactions in all partial waves

    SciTech Connect

    Laha, U.; Bhoi, J.

    2013-01-15

    By exploiting the theory of ordinary differential equations, with judicious use of boundary conditions, interacting Green's functions and their integral transforms together with certain properties of higher transcendental functions, useful analytical expressions for the off-shell Jost solutions for motion in Coulomb and Coulomb-nuclear potentials are derived in maximal reduced form through different approaches to the problem in the representation space. The exact analytical expressions for the off-shell Jost solutions for Coulomb and Coulomb-like potentials are believed to be useful for the description of the charged particle scattering/reaction processes.

  4. Supercurrent Drag via the Coulomb Interaction

    NASA Astrophysics Data System (ADS)

    Duan, Ji-Min; Yip, Sungkit

    1996-03-01

    We predict a supercurrent drag effect due to the Coulomb interaction between two parallel superconducting wires/layers. In contrast to previously explored frictional drag effect between two semiconducting quantum wells, our nondissipative drag mechanism ( J.-M. Duan and S. K. Yip, Phys. Rev. Lett.70), 3647 (1993). is based on considerations of the free energy of collective charge fluctuations. Our prediction has been confirmed experimentally ( X. Huang et al.), Phys. Rev. Lett.74, 4051 (1995). This mechanism generally exists in other nondissipative systems, such as double-layer quantum Hall syatems ( J.-M. Duan, Europhys. Lett.29), 489 (1995)., or between the two edge channels of a Hall bar, and between one-dimensional Luttinger Liquids.

  5. Electron-pair excitations and the molecular Coulomb continuum

    SciTech Connect

    Colgan, James

    2009-01-01

    Electron-pair excitations in the molecular hydrogen continuum are described by quantizing rotations of the momentum plane of the electron pair about by the pair's relative momentum. A helium-like description of the molecular pi.Joto double ionization is thus extended to higher angular momenta of the electron pair. A simple three-state superposition is found to account surprisingly well for recent observations of noncoplanar electron-pair, molecular-axis angular distributions.

  6. Dynamical interactions of galaxy pairs

    NASA Technical Reports Server (NTRS)

    Athanassoula, E.

    1990-01-01

    Here the author briefly reviews the dynamics of sinking satellites and the effect of companions on elliptical galaxies. The author then discusses recent work on interacting disk systems, and finally focuses on a favorite interacting pair, NGC 5194/5195.

  7. Long-range Coulomb interaction in nodal-ring semimetals

    NASA Astrophysics Data System (ADS)

    Huh, Yejin; Moon, Eun-Gook; Kim, Yong Baek

    2016-01-01

    Recently there have been several proposals of materials predicted to be nodal-ring semimetals, where zero energy excitations are characterized by a nodal ring in the momentum space. This class of materials falls between the Dirac-like semimetals and the more conventional Fermi-surface systems. As a step towards understanding this unconventional system, we explore the effects of the long-range Coulomb interaction. Due to the vanishing density of states at the Fermi level, Coulomb interaction is only partially screened and remains long-ranged. Through renormalization group and large-Nf computations, we have identified a nontrivial interacting fixed point. The screened Coulomb interaction at the interacting fixed point is an irrelevant perturbation, allowing controlled perturbative evaluations of physical properties of quasiparticles. We discuss unique experimental consequences of such quasiparticles: acoustic wave propagation, anisotropic dc conductivity, and renormalized phonon dispersion as well as energy dependence of quasiparticle lifetime.

  8. Ion PairInteractions.

    PubMed

    Fujisawa, Kaori; Humbert-Droz, Marie; Letrun, Romain; Vauthey, Eric; Wesolowski, Tomasz A; Sakai, Naomi; Matile, Stefan

    2015-09-01

    We report that anion-π and cation-π interactions can occur on the same aromatic surface. Interactions of this type are referred to as ion pairinteractions. Their existence, nature, and significance are elaborated in the context of spectral tuning, ion binding in solution, and activation of cell-penetrating peptides. The origin of spectral tuning by ion pairinteractions is unraveled with energy-minimized excited-state structures: The solvent- and pH-independent red shift of absorption and emission of push-pull fluorophores originates from antiparallel ion pair-π attraction to their polarized excited state. In contrast, the complementary parallel ion pair-π repulsion is spectroscopically irrelevant, in part because of charge neutralization by intriguing proton and electron transfers on excited push-pull surfaces. With time-resolved fluorescence measurements, very important differences between antiparallel and parallel ion pairinteractions are identified and quantitatively dissected from interference by aggregation and ion pair dissociation. Contributions from hydrogen bonding, proton transfer, π-π interactions, chromophore twisting, ion pairing, and self-assembly are systematically addressed and eliminated by concise structural modifications. Ion-exchange studies in solution, activation of cell-penetrating peptides in vesicles, and computational analysis all imply that the situation in the ground state is complementary to spectral tuning in the excited state; i.e., parallel rather than antiparallel ion pairinteractions are preferred, despite repulsion from the push-pull dipole. The overall quite complete picture of ion pairinteractions provided by these remarkably coherent yet complex results is expected to attract attention throughout the multiple disciplines of chemistry involved. PMID:26291550

  9. Coulomb Interactions in Hanbury Brown-Twiss Experiments with Electrons

    ERIC Educational Resources Information Center

    Shen, Kan

    2009-01-01

    This dissertation examines the effect of Coulomb interactions in Hanbury Brown-Twiss (HBT) type experiments with electrons. HBT experiments deal with intensity interference, which is related to the second-order correlation function of the particle field. This is an extension of the usual amplitude interference experiment, such as Young's…

  10. Limits to Electron Beam Emittance from Stochastic Coulomb Interactions

    SciTech Connect

    Coleman-Smith, Christopher; Padmore, Howard A.; Wan, Weishi

    2008-08-22

    Dense electron beams can now be generated on an ultrafast timescale using laser driven photo-cathodes and these are used for a range of applications from ultrafast electron defraction to free electron lasers. Here we determine a lower bound to the emittance of an electron beam limited by fundamental stochastic Coulomb interactions.

  11. Interplay of Coulomb interaction and spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Bünemann, Jörg; Linneweber, Thorben; Löw, Ute; Anders, Frithjof B.; Gebhard, Florian

    2016-07-01

    We employ the Gutzwiller variational approach to investigate the interplay of Coulomb interaction and spin-orbit coupling in a three-orbital Hubbard model. Already in the paramagnetic phase we find a substantial renormalization of the spin-orbit coupling that enters the effective single-particle Hamiltonian for the quasiparticles. Only close to half band-filling and for sizable Coulomb interaction do we observe clear signatures of Hund's atomic rules for spin, orbital, and total angular momentum. For a finite local Hund's rule exchange interaction we find a ferromagnetically ordered state. The spin-orbit coupling considerably reduces the size of the ordered moment, it generates a small ordered orbital moment, and it induces a magnetic anisotropy. To investigate the magnetic anisotropy energy, we use an external magnetic field that tilts the magnetic moment away from the easy axis (1 ,1 ,1 ) .

  12. Electron interactions in graphene through an effective Coulomb potential

    NASA Astrophysics Data System (ADS)

    Rodrigues, Joao N. B.; Adam, Shaffique

    A recent numerical work [H.-K. Tang et al, PRL 115, 186602 (2015)] considering graphene's π-electrons interacting through an effective Coulomb potential that is finite at short-distances, stressed the importance of the sp2 -electrons in determining the semimetal to Mott insulator phase transition in graphene. Some years ago, I. F. Herbut [PRL 97, 146401 (2006)] studied such a transition by mapping graphene's π-electrons into a Gross-Neveu model. From a different perspective, D. T. Son [PRB 75, 235423 (2007)] put the emphasis on the long-range interactions by modelling graphene as Dirac fermions interacting through a bare Coulomb potential. Here we build on these works and explore the phase diagram of Dirac fermions interacting through an effective Coulomb-like potential screened at short-distances. The interaction potential used allows for analytic results that controllably switch between the two perspectives above. This work was supported by the Singapore National Research Foundation (NRF-NRFF2012-01 and CA2DM medium-sized centre program) and by the Singapore Ministry of Education and Yale-NUS College (R-607-265-01312).

  13. Stationary entanglement between two nanomechanical oscillators induced by Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Qin, Wu; Yin, Xiao; Zhi-Ming, Zhang

    2016-01-01

    We propose a scheme for entangling two nanomechanical oscillators by Coulomb interaction in an optomechanical system. We find that the steady-state entanglement of two charged nanomechanical oscillators can be obtained when the coupling between them is stronger than a critical value which relies on the detuning. Remarkably, the degree of entanglement can be controlled by the Coulomb interaction and the frequencies of the two charged oscillators. Project supported by the Major Research Plan of the National Natural Science Foundation of China (Grant No. 91121023), the National Natural Science Foundation of China (Grant Nos. 61378012, 60978009, and 11574092), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20124407110009), the National Basic Research Program of China (Grant Nos. 2011CBA00200 and 2013CB921804), and the Program for Changjiang Scholar and Innovative Research Team in University, China (Grant No. IRT1243).

  14. Cooling of cryogenic electron bilayers via the Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Gamble, John King; Friesen, Mark; Joynt, Robert; Coppersmith, S. N.

    2011-09-01

    Heat dissipation in current-carrying cryogenic nanostructures is problematic because the phonon density of states decreases strongly as energy decreases. We show that the Coulomb interaction can prove a valuable resource for carrier cooling via coupling to a nearby cold electron reservoir. Specifically, we consider the geometry of an electron bilayer in a silicon-based heterostructure and analyze the power transfer. We show that, across a range of temperatures, separations, and sheet densities, the electron-electron interaction dominates the phonon heat-dissipation modes as the main cooling mechanism. Coulomb cooling is most effective at low densities, when phonon cooling is least effective in silicon, making it especially relevant for experiments attempting to perform coherent manipulations of single spins.

  15. Coulomb interaction from the interplay between confinement and screening

    NASA Astrophysics Data System (ADS)

    Gaete, P.; Guendelman, E. I.

    2004-07-01

    It has been noticed that confinement effects can be described by the addition of a -FμνaFaμν term in the Lagrangian density. We now study the combined effect of such "confinement term" and that of a mass term. The surprising result is that the interplay between these two terms gives rise to a Coulomb interaction. Our picture has a certain correspondence with the quasiconfinement picture described by Giles, Jaffe and de Rujula for QCD with symmetry breaking.

  16. Coulomb blockade and incoherent tunneling of Cooper pairs in ultrasmall junctions affected by strong quantum fluctuations

    NASA Astrophysics Data System (ADS)

    Kuzmin, L. S.; Nazarov, Yu. V.; Haviland, D. B.; Delsing, P.; Claeson, T.

    1991-08-01

    We have fabricated and investigated submicron-size (0.01 and 0.04 μm2) Pb-alloy single Josephson junctions attached to high-resistance thin-film NiCr or Cr leads which provide the necessary conditions for a strong charging effect. When the Josephson coupling energy is less than the charging energy, we find a novel shape of the current-voltage curves, with a Coulomb gap at small voltages, and a current peak at larger voltages. A theory based on the concept of incoherent Cooper-pair tunneling has explained the data well.

  17. Simulation of Coulomb interaction effects in electron sources

    NASA Astrophysics Data System (ADS)

    Rouse, John; Zhu, Xieqing; Liu, Haoning; Munro, Eric

    2011-07-01

    Over many years, we have developed electron source simulation software that has been used widely in the electron optics community to aid the development of rotationally symmetric electron and ion guns. The simulation includes the modelling of cathode emission and the effects of volumetric space charge. In the present paper we describe the existing software and explain how we have extended this software to include the effects of discrete Coulomb interactions between the electrons as they travel from the cathode surface to the exit of the gun. In the paper, we will describe the numerical models we have employed, the techniques we have used to maximize the speed of the Coulomb force computation and present several illustrative examples of cases analyzed using the new software, including thermal field emitters, LaB 6 guns and flat dispenser-type cathodes.

  18. A nonlinear Bloch model for Coulomb interaction in quantum dots

    SciTech Connect

    Bidegaray-Fesquet, Brigitte Keita, Kole

    2014-02-15

    In this paper, we first derive a Coulomb Hamiltonian for electron–electron interaction in quantum dots in the Heisenberg picture. Then we use this Hamiltonian to enhance a Bloch model, which happens to be nonlinear in the density matrix. The coupling with Maxwell equations in case of interaction with an electromagnetic field is also considered from the Cauchy problem point of view. The study is completed by numerical results and a discussion about the advisability of neglecting intra-band coherences, as is done in part of the literature.

  19. Coulomb-interaction effects on the electronic structure of radially polarized excitons in nanorings

    NASA Astrophysics Data System (ADS)

    Barticevic, Z.; Pacheco, M.; Simonin, J.; Proetto, C. R.

    2006-04-01

    The electronic structure of radially polarized excitons in structured nanorings is analyzed, with emphasis in the ground-state properties and their dependence under applied magnetic fields perpendicular to the ring plane. The electron-hole Coulomb attraction has been treated rigorously, through numerical diagonalization of the full exciton Hamiltonian in the noninteracting electron-hole pairs basis. Depending on the relative weight of the kinetic energy and Coulomb contributions, the ground-state of polarized excitons has “extended” or “localized” features. In the first case, corresponding to small rings dominated by the kinetic energy, the ground-state shows Aharonov-Bohm (AB) oscillations due to the individual orbits of the building particles of the exciton. In the localized regime, corresponding to large rings dominated by the Coulomb interaction, the only remaining AB oscillations are due to the magnetic flux trapped between the electron and hole orbits. This dependence of the exciton, a neutral excitation, on the flux difference confirms this feature as a signature of Coulomb dominated polarized excitons. Analytical approximations are provided in both regimes, which accurately reproduce the numerical results.

  20. Coulomb interaction effects on the Majorana states in quantum wires.

    PubMed

    Manolescu, A; Marinescu, D C; Stanescu, T D

    2014-04-30

    The stability of the Majorana modes in the presence of a repulsive interaction is studied in the standard semiconductor wire-metallic superconductor configuration. The effects of short-range Coulomb interaction, which is incorporated using a purely repulsive δ-function to model the strong screening effect due to the presence of the superconductor, are determined within a Hartree-Fock approximation of the effective Bogoliubov-De Gennes Hamiltonian that describes the low-energy physics of the wire. Through a numerical diagonalization procedure we obtain interaction corrections to the single particle eigenstates and calculate the extended topological phase diagram in terms of the chemical potential and the Zeeman energy. We find that, for a fixed Zeeman energy, the interaction shifts the phase boundaries to a higher chemical potential, whereas for a fixed chemical potential this shift can occur either at lower or higher Zeeman energies. These effects can be interpreted as a renormalization of the g-factor due to the interaction. The minimum Zeeman energy needed to realize Majorana fermions decreases with the increasing strength of the Coulomb repulsion. Furthermore, we find that in wires with multi-band occupancy this effect can be enhanced by increasing the chemical potential, i.e. by occupying higher energy bands. PMID:24722427

  1. Attractive Coulomb interaction of two-dimensional Rydberg excitons

    NASA Astrophysics Data System (ADS)

    Shahnazaryan, V.; Shelykh, I. A.; Kyriienko, O.

    2016-06-01

    We analyze theoretically the Coulomb scattering processes of highly excited excitons in the direct-band-gap semiconductor quantum wells. We find that contrary to the interaction of ground-state excitons, the electron and hole exchange interaction between excited excitons has an attractive character both for s - and p -type two-dimensional (2D) excitons. Moreover, we show that similar to the three-dimensional highly excited excitons, the direct interaction of 2D Rydberg excitons exhibits van der Waals-type long-range interaction. The results predict the linear growth of the absolute value of exchange interaction strength with an exciton principal quantum number and point the way towards enhancement of optical nonlinearity in 2D excitonic systems.

  2. Challenges in calculating molecular systems with Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Kirnosov, Nikita; Sharkey, Keeper; Adamowicz, Ludwik

    2014-03-01

    The highly accurate quantum mechanical calculations are not only crucial for high-resolution experimental data verification, but may also serve as a guide in the field of exotic systems exploration. Including all non-relativistic effects in a single-step variational approach and rigorously separating out the center of mass motion allows us to build a reliable model for calculating bound states of molecular systems with Coulomb interactions. In these calculations the wave function of the system is expanded in terms of explicitly correlated Gaussian (ECG) basis functions. Examples of calculations of energies and other properties of some molecular systems will be presented.

  3. A convergent multipole expansion for 1,3 and 1,4 Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Rafat, M.; Popelier, P. L. A.

    2006-04-01

    Traditionally force fields express 1,3 and 1,4 interactions as bonded terms via potentials that involve valence and torsion angles, respectively. These interactions are not modeled by point charge terms, which are confined to electrostatic interactions between more distant atoms (1,n where n >4). Here we show that both 1,3 and 1,4 interactions can be described on the same footing as 1,n (n>4) interactions by a convergent multipole expansion of the Coulomb energy of the participating atom pairs. The atomic multipole moments are generated by the theory of quantum chemical topology. The procedure to make the multipole expansion convergent is based on a "shift procedure" described in earlier work [L. Joubert and P. L. A. Popelier, Molec. Phys. 100, 3357 (2002)].

  4. Mechanical model of the Lorentz force and Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Dmitriyev, Valery

    2008-09-01

    The centripetal and Coriolis accelerations experienced by a cart traveling over a rotating turntable are usually calculated proceeding from the known kinematics of the problem. Respective forces can be regarded as due to the entrainment of the cart in the moving solid environs. We extend the approach to the general case of a particle entrained in the flow of the surrounding medium. The expression for the driving force on the particle obtained from the kinematics of the entrainment prescribed appears to be isomorphic to the Lorentz and Coulomb force on a positive electric charge. The inverse direction of the electromagnetic force on a negative charge implies that a growing applied flow induces the upstream motion of the particle. A possible microscopic mechanism for it may be the Magnus force dynamics of a kink in a vortex tangle. The loop on a straight vortex filament can be taken as a model of the electron, the loop with a cavitation models the positron. The Lorentz force is concerned with the Coriolis acceleration. The Coulomb interaction is due to the centripetal or centrifugal force that arises in the turbophoresis of the kink in the perturbation field generated in the medium by the center of pressure.

  5. Coulomb interaction effect in tilted Weyl fermion in two dimensions

    NASA Astrophysics Data System (ADS)

    Isobe, Hiroki; Nagaosa, Naoto

    Weyl fermions with tilted linear dispersions characterized by several different velocities appear in some systems including the quasi-two-dimensional organic semiconductor α-(BEDT-TTF)2I3 and three-dimensional WTe2. The Coulomb interaction between electrons modifies the velocities in an essential way in the low energy limit, where the logarithmic corrections dominate. Taking into account the coupling to both the transverse and longitudinal electromagnetic fields, we derive the renormalization group equations for the velocities of the tilted Weyl fermions in two dimensions, and found that they increase as the energy decreases and eventually hit the velocity of light c to result in the Cherenkov radiation. Especially, the system restores the isotropic Weyl cone even when the bare Weyl cone is strongly tilted and the velocity of electrons becomes negative in certain directions.

  6. Pair interactions in red-faced warblers

    USGS Publications Warehouse

    Barber, P.M.; Martin, T.E.; Smith, Kimberly G.

    1998-01-01

    Forty pairs of breeding Red-faced Warblers (Cardellina rubrifrons) were observed in 1992 and 1993 on the Mogollon Rim, Arizona. Intrusions by extra-pair males, interactions between pair members, and other pair interaction behaviors were recorded. The majority of intrusions occurred during the building stage of the nesting cycle. Males responded to intrusions during nest building by decreasing intra-pair distance. Males maintained shorter intra-pair distances by following the female when she initiated movements and by not initiating pair movements themselves. Intra-pair distances were as short or shorter during the incubation period as during nest building, and were shorter during incubation than during egg laying. Males continued to follow females beyond the expected fertile period. Possible explanations for continued mate following include: males guard their mates against predators, males guard their paternity for future nesting attempts, and males respond to extra-pair male intrusions, which continue during incubation.

  7. Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein

    PubMed Central

    Lee, Kelly K.; Fitch, Carolyn A.; García-Moreno E., Bertrand

    2002-01-01

    Histidine pKa values were measured in charge-reversal (K78E, K97E, K127E, and K97E/K127E) and charge-neutralization (E10A, E101A, and R35A) mutants of staphylococcal nuclease (SNase) by 1H-NMR spectroscopy. Energies of interaction between pairs of charges (ΔGij) were obtained from the shifts in pKa values relative to wild-type values. The data describe the distance dependence and salt sensitivity of pairwise coulombic interactions. Calculations with a continuum electrostatics method captured the experimental ΔGij when static structures were used and when the protein interior was treated empirically with a dielectric constant of 20. The ΔGij when rij ≤ 10 Å were exaggerated slightly in the calculations. Coulomb's law with a dielectric constant near 80 and a Debye-Hückel term to account for screening by the ionic strength reproduced the salt sensitivity and distance dependence of ΔGij as well as the structure-based method. In their interactions with each other, surface charges behave as if immersed in water; the Debye length describes realistically the distance where interactions become negligible at a given ionic strength. On average, charges separated by distances (rij) ≈5 Å interacted with ΔGij ≈ 0.6 kcal/mole in 0.01 M KCl, but ΔGij decayed to ≤0.10 kcal/mole when rij = 20 Å. In 0.10 M KCl, ΔGij ≈ 0.10 kcal/mole when rij = 10 Å. In 1.5 M KCl, only short-range interactions with rij ≤ 5 Å persisted. Although at physiological ionic strengths the interactions between charges separated by more than 10 Å are extremely weak, in situations where charge imbalance exists many weak interactions can cumulatively produce substantial effects. PMID:11967358

  8. The generalized Coulomb interactions for relativistic scalar bosons

    NASA Astrophysics Data System (ADS)

    Zarrinkamar, S.; Panahi, H.; Rezaei, M.

    2016-07-01

    Approximate analytical solutions of Duffin-Kemmer-Petiau (DKP) equation are obtained for the truncated Coulomb, generalized Cornell, Richardson and Song-Lin potentials via the quasi-exact analytical ansatz approach.

  9. Resonance tuning due to Coulomb interaction in strong near-field coupled metamaterials

    NASA Astrophysics Data System (ADS)

    Roy Chowdhury, Dibakar; Xu, Ningning; Zhang, Weili; Singh, Ranjan

    2015-07-01

    Coulomb's law is one of the most fundamental laws of physics that describes the electrostatic interaction between two like or unlike point charges. Here, we experimentally observe a strong effect of Coulomb interaction in tightly coupled terahertz metamaterials where the split-ring resonator dimers in a unit cell are coupled through their near fields across the capacitive split gaps. Using a simple analytical model, we evaluated the Coulomb parameter that switched its sign from negative to positive values indicating the transition in the nature of Coulomb force from being repulsive to attractive depending upon the near field coupling between the split ring resonators. Apart from showing interesting effects in the strong coupling regime between meta-atoms, Coulomb interaction also allows an additional degree of freedom to achieve frequency tunable dynamic metamaterials.

  10. Resonance tuning due to Coulomb interaction in strong near-field coupled metamaterials

    SciTech Connect

    Roy Chowdhury, Dibakar; Xu, Ningning; Zhang, Weili; Singh, Ranjan

    2015-07-14

    Coulomb's law is one of the most fundamental laws of physics that describes the electrostatic interaction between two like or unlike point charges. Here, we experimentally observe a strong effect of Coulomb interaction in tightly coupled terahertz metamaterials where the split-ring resonator dimers in a unit cell are coupled through their near fields across the capacitive split gaps. Using a simple analytical model, we evaluated the Coulomb parameter that switched its sign from negative to positive values indicating the transition in the nature of Coulomb force from being repulsive to attractive depending upon the near field coupling between the split ring resonators. Apart from showing interesting effects in the strong coupling regime between meta-atoms, Coulomb interaction also allows an additional degree of freedom to achieve frequency tunable dynamic metamaterials.

  11. Exploring Coulomb interaction in piezoelectric materials for assisting the laser cooling of solids

    NASA Astrophysics Data System (ADS)

    Hassani Nia, Iman; Mohseni, Hooman

    2014-02-01

    Realization of anti-Stokes cooling requires high enough photon extraction efficiency as well as quantum efficiency, making the implementation of this technique extremely difficult for semiconductors. Here, for the first time, we demonstrate that the Coulomb interaction between photogenerated electron-hole pairs in strong piezoelectric materials such as GaN/InGaN quantum wells could assist laser cooling. By comparing to the cavity back-action mechanism, we also explain how this process depends upon laser detuning with respect to bandgap. To demonstrate the advantage of this method even further, we present simulations by using experimentally reported parameters of GaN and In0.15Ga0.85N, in order to conclude that the net cooling is indeed possible even with current III-nitride growth technology.

  12. Calculation of proton-deuteron breakup reactions including the Coulomb interaction between the two protons.

    PubMed

    Deltuva, A; Fonseca, A C; Sauer, P U

    2005-08-26

    The Coulomb interaction between the two protons is fully included in the calculation of proton-deuteron breakup with realistic interactions for the first time. The hadron dynamics is based on the purely nucleonic charge-dependent (CD) Bonn potential and its realistic extension CD Bonn +Delta to a coupled-channel two-baryon potential, allowing for single virtual Delta-isobar excitation. Calculations are done using integral equations in momentum space. The screening and renormalization approach is employed for including the Coulomb interaction. The Coulomb effect on breakup observables is seen at all energies in particular kinematic regimes. PMID:16197210

  13. Fermi Surface of Sr_{2}RuO_{4}: Spin-Orbit and Anisotropic Coulomb Interaction Effects.

    PubMed

    Zhang, Guoren; Gorelov, Evgeny; Sarvestani, Esmaeel; Pavarini, Eva

    2016-03-11

    The topology of the Fermi surface of Sr_{2}RuO_{4} is well described by local-density approximation calculations with spin-orbit interaction, but the relative size of its different sheets is not. By accounting for many-body effects via dynamical mean-field theory, we show that the standard isotropic Coulomb interaction alone worsens or does not correct this discrepancy. In order to reproduce experiments, it is essential to account for the Coulomb anisotropy. The latter is small but has strong effects; it competes with the Coulomb-enhanced spin-orbit coupling and the isotropic Coulomb term in determining the Fermi surface shape. Its effects are likely sizable in other correlated multiorbital systems. In addition, we find that the low-energy self-energy matrix-responsible for the reshaping of the Fermi surface-sizably differs from the static Hartree-Fock limit. Finally, we find a strong spin-orbital entanglement; this supports the view that the conventional description of Cooper pairs via factorized spin and orbital part might not apply to Sr_{2}RuO_{4}. PMID:27015496

  14. Study of ultrasonic attenuation in f-electron systems in the paramagnetic limit of Coulomb interaction

    SciTech Connect

    Shadangi, Asit Ku.; Rout, G. C.

    2015-05-15

    We report here a microscopic model study of ultrasonic attenuation in f-electron systems based on Periodic Anderson Model in which Coulomb interaction is considered within a mean-field approximation for a weak interaction. The Phonon is coupled to the conduction band and f-electrons. The phonon Green's function is calculated by Zubarev's technique of the Green's function method. The temperature dependent ultrasonic attenuation co-efficient is calculated from the imaginary part of the phonon self-energy in the dynamic and long wave length limit. The f-electron occupation number is calculated self-consistently in paramagnetic limit of Coulomb interaction. The effect of the Coulomb interaction on ultrasonic attenuation is studied by varying the phonon coupling parameters to the conduction and f-electrons, hybridization strength, the position of f-level and the Coulomb interaction Strength. Results are discussed on the basis of experimental results.

  15. Weak interaction rate Coulomb corrections in big bang nucleosynthesis

    SciTech Connect

    Smith, Christel J.; Fuller, George M.

    2010-03-15

    We have applied a fully relativistic Coulomb wave correction to the weak reactions in the full Kawano/Wagoner big bang nucleosynthesis (BBN) code. We have also added the zero-temperature radiative correction. We find that using this higher accuracy Coulomb correction results in good agreement with previous work, giving only a modest {approx}0.04% increase in helium mass fraction over correction prescriptions applied previously in BBN calculations. We have calculated the effect of these corrections on other light element abundance yields in BBN, and we have studied these yields as functions of electron neutrino lepton number. This has allowed insights into the role of the weak neutron-proton interconversion processes in the setting of the neutron-to-proton ratio during the BBN epoch. We find that the lepton capture processes' contributions to this ratio are only second order in the Coulomb correction.

  16. Collective modes in charge-density waves and long-range Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Virosztek, Attila; Maki, Kazumi

    1993-07-01

    We study theoretically the collective modes in charge-density waves in the presence of long-range Coulomb interaction. We find that earlier works by Takada and his collaborators are inadequate since they introduced inconsistent approximations in evaluating a variety of correlation functions. The amplitude mode is unaffected by the Coulomb interaction, while the phase mode splits into the phason with linear dispersion (i.e., acoustic mode) and the optical mode with an energy gap in the presence of the Coulomb interaction. In particular, we establish the temperature dependence of the phason velocity vφ. A comparison with recent neutron-scattering data on the phason velocity in the charge-density wave of a single crystal of blue bronze K0.3MoO3 indicates that mean-field theory which includes the long-range Coulomb interaction gives an excellent description of the observed phason velocity.

  17. On-site screened Coulomb interactions for localized electrons in transition metal oxides and defect systems

    NASA Astrophysics Data System (ADS)

    Shih, Bi-Ching; Zhang, Peihong; Department of Physics Team

    2011-03-01

    Electronic and structural properties of strongly correlated material systems are largely determined by the strength of the on-site Coulomb interaction. Theoretical models devised to capture the physics of strongly correlated materials usually involve screened Coulomb interactions as adjustable parameters. We present first-principles results for the screened on-site Coulomb and exchange energy for transition metal oxides. The dielectric screening is calculated within the random phase approximation and the localized electrons are represented by maximally localized Wannier functions. We further extend our study to calculate on-site Coulomb interactions for localized defect states in semiconductors. We acknowledge the computational support provided by the Center for Computational Research at the University at Buffalo, SUNY. This work is supported by the National Science Foundation under Grant No. DMR-0946404 and by the Department of Energy under Grant No. DE-SC0002623.

  18. Probing the tides in interacting galaxy pairs

    NASA Technical Reports Server (NTRS)

    Borne, Kirk D.

    1990-01-01

    Detailed spectroscopic and imaging observations of colliding elliptical galaxies revealed unmistakable diagnostic signatures of the tidal interactions. It is possible to compare both the distorted luminosity distributions and the disturbed internal rotation profiles with numerical simulations in order to model the strength of the tidal gravitational field acting within a given pair of galaxies. Using the best-fit numerical model, one can then measure directly the mass of a specific interacting binary system. This technique applies to individual pairs and therefore complements the classical methods of measuring the masses of galaxy pairs in well-defined statistical samples. The 'personalized' modeling of galaxy pairs also permits the derivation of each binary's orbit, spatial orientation, and interaction timescale. Similarly, one can probe the tides in less-detailed observations of disturbed galaxies in order to estimate some of the physical parameters for larger samples of interacting galaxy pairs. These parameters are useful inputs to the more universal problems of (1) the galaxy merger rate, (2) the strength and duration of the driving forces behind tidally stimulated phenomena (e.g., starbursts and maybe quasi steller objects), and (3) the identification of long-lived signatures of interaction/merger events.

  19. Investigation of coulomb and pairing effects using new developed empirical formulas for proton-induced reaction cross sections

    SciTech Connect

    Tel, E. Aydin, E. G.; Aydin, A.; Kaplan, A.; Boeluekdemir, M. H.; Okuducu, S.

    2010-03-15

    We have investigated Coulomb and pairing effects by using new empirical formulas including the new coefficients for (p, {alpha}) at 17.9 MeV, (p, np) at 22.3 MeV, and (p, n{alpha}) at 24.8 and 28.5 MeV energies. A new formula is obtained by adjusting Levkovskii's original asymmetry parameter formula and also Tel et al. formula for proton-induced reactions. The new coefficients by using least-squares fitting method for the reactions are determined. In addition, the findings of the present study are compared with the available experimental data.

  20. Induced Pairing Interaction in Neutron Star Matter

    NASA Astrophysics Data System (ADS)

    Lombardo, U.; Schulze, H.-J.; Zuo, W.

    2013-01-01

    The three superfluid phases supposed to occur in neutron stars are reviewed in the framework of the generalized BCS theory with the induced interaction. The structure of neutron stars characterized by beta-stable asymmetric nuclear matter in equilibrium with the gravitational force discloses new aspects of the pairing mechanism. Some of them are discussed in this report, in particular the formation in dense matter of Cooper pairs in the presence of three-body forces and the interplay between repulsive and attractive polarization effects on isospin T = 1 Cooper pairs embedded into the neutron and proton environment. Quantitative estimates of the energy gaps are reported and their sensitivity to the medium effects, i.e., interaction and polarization, is explored.

  1. Assessing Paired Orals: Raters' Orientation to Interaction

    ERIC Educational Resources Information Center

    Ducasse, Ana Maria; Brown, Annie

    2009-01-01

    Speaking tasks involving peer-to-peer candidate interaction are increasingly being incorporated into language proficiency assessments, in both large-scale international testing contexts, and in smaller-scale, for example course-related, ones. This growth in the popularity and use of paired and group orals has stimulated research, particularly into…

  2. Solution of two-body relativistic bound state equations with confining plus Coulomb interactions

    NASA Technical Reports Server (NTRS)

    Maung, Khin Maung; Kahana, David E.; Norbury, John W.

    1992-01-01

    Studies of meson spectroscopy have often employed a nonrelativistic Coulomb plus Linear Confining potential in position space. However, because the quarks in mesons move at an appreciable fraction of the speed of light, it is necessary to use a relativistic treatment of the bound state problem. Such a treatment is most easily carried out in momentum space. However, the position space Linear and Coulomb potentials lead to singular kernels in momentum space. Using a subtraction procedure we show how to remove these singularities exactly and thereby solve the Schroedinger equation in momentum space for all partial waves. Furthermore, we generalize the Linear and Coulomb potentials to relativistic kernels in four dimensional momentum space. Again we use a subtraction procedure to remove the relativistic singularities exactly for all partial waves. This enables us to solve three dimensional reductions of the Bethe-Salpeter equation. We solve six such equations for Coulomb plus Confining interactions for all partial waves.

  3. Coexistence and competition of on-site and intersite Coulomb interactions in Mott-molecular-dimers

    NASA Astrophysics Data System (ADS)

    Juliano, R. C.; de Arruda, A. S.; Craco, L.

    2016-02-01

    We reveal the interplay between on-site (U) and intersite (V) Coulomb interactions in the extended two-site Hubbard model. Due to its atomic-like form quantum correlations intrinsic to Mott-molecular-dimers are exactly computed. Our results for physical quantities such as double occupancy and specific heat are consistent with those obtained for the one-band Hubbard model, suggesting that a two-site dimer model is able to capture the essential thermodynamic properties of strongly interacting electron systems. It is noted that intersite Coulomb interactions promote the formation of doublons, which compete with the spin-singlet state induced by the on-site Coulomb repulsion. Our results are expected to be relevant for understanding electronic and thermodynamical properties of interacting electrons in systems with strongly coupled magnetic atoms.

  4. Pairing interaction effects in exciton level densities

    SciTech Connect

    Fu, C.Y.

    1989-01-01

    Recent progress in pairing corrections for exciton state-density formulas used in pre-compound nuclear reaction theories is reviewed. These correction factors are, strictly speaking, dependent on the nuclear excitation energy U and the exciton number n. A simple formula for (U,n)-dependent pairing corrections has been derived, based on the BCS pairing equations for constant single-particle spacing, for the exciton state-density formula for one kind of Fermion. It has been shown that the constant-pairing-energy correction used in standard state-density formulas, such U{sub 0} in Gilbert and Cameron, is a limiting case of the general (U,n)-dependent results. Spin cutoff factors with pairing effects were also obtained using the same theory and parameterized into an explicit (U,n)-dependent function, thereby defining a simple exciton level-density formula for applications in quantum mechanical precompound theories. Preliminary results from extending such simple pairing-interaction representations to level-density formulas for two kinds of Fermions are summarized. The results show that the ratios in the exciton level densities in the one-Fermion and two-Fermion approaches vary with both U and n, thus likely leading to differences in calculated compound to precompound ratios. However, the differences in the spin cutoff factors in the two cases are found to be rather small. 12 refs., 3 figs.

  5. Comment on ``Pairing interaction and Galilei invariance''

    NASA Astrophysics Data System (ADS)

    Arias, J. M.; Gallardo, M.; Gómez-Camacho, J.

    1999-05-01

    A recent article by Dussel, Sofia, and Tonina studies the relation between Galilei invariance and dipole energy weighted sum rule (EWSR). The authors find that the pairing interaction, which is neither Galilei nor Lorentz invariant, produces big changes in the EWSR and in effective masses of the nucleons. They argue that these effects of the pairing force could be realistic. In this Comment we stress the validity of Galilei invariance to a very good approximation in this context of low-energy nuclear physics and show that the effective masses and the observed change in the EWSR for the electric dipole operator relative to its classical value are compatible with this symmetry.

  6. Effect of Coulomb interactions on the disorder-driven superconductor-insulator transition

    NASA Astrophysics Data System (ADS)

    Sherman, Daniel; Gorshunov, Boris; Poran, Shachaf; Trivedi, Nandini; Farber, Eli; Dressel, Martin; Frydman, Aviad

    2014-01-01

    We have studied the evolution of the superconducting energy gap of indium oxide through the disorder-driven superconductor-to-insulator transition (SIT) using two distinct experimental methods that allow us to test the influence of metallic screening: tunneling spectroscopy in which a metallic electrode is adjacent to the studied sample, thus screening Coulomb interactions, and contactless terahertz spectroscopy which probes the unperturbed sample. The tunneling measurements reveal a similar superconducting gap on both sides of the SIT and at temperatures above and below Tc. Terahertz measurements detect the superconducting gap below but not above the critical temperature nor in the insulating state. This difference between the two spectroscopy methods is attributed to the effect of Coulomb interactions which are screened in the tunneling experiments. Our study reveals the importance of Coulomb interactions on the energy gap of disordered superconductors.

  7. Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene.

    PubMed

    Margine, E R; Lambert, Henry; Giustino, Feliciano

    2016-01-01

    Using the ab initio anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We find that C6CaC6 can support phonon-mediated superconductivity with a critical temperature Tc = 6.8-8.1 K, in good agreement with experimental data. Our calculations indicate that the low-energy Caxy vibrations are critical to the pairing, and that it should be possible to resolve two distinct superconducting gaps on the electron and hole Fermi surface pockets. PMID:26892805

  8. Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene

    PubMed Central

    Margine, E. R.; Lambert, Henry; Giustino, Feliciano

    2016-01-01

    Using the ab initio anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We find that C6CaC6 can support phonon-mediated superconductivity with a critical temperature Tc = 6.8–8.1 K, in good agreement with experimental data. Our calculations indicate that the low-energy Caxy vibrations are critical to the pairing, and that it should be possible to resolve two distinct superconducting gaps on the electron and hole Fermi surface pockets. PMID:26892805

  9. Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene

    NASA Astrophysics Data System (ADS)

    Margine, E. R.; Lambert, Henry; Giustino, Feliciano

    2016-02-01

    Using the ab initio anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We find that C6CaC6 can support phonon-mediated superconductivity with a critical temperature Tc = 6.8-8.1 K, in good agreement with experimental data. Our calculations indicate that the low-energy Caxy vibrations are critical to the pairing, and that it should be possible to resolve two distinct superconducting gaps on the electron and hole Fermi surface pockets.

  10. Coulomb Interaction Effects In Semiconductor Heterostructures With Spin-Orbit Interaction

    NASA Astrophysics Data System (ADS)

    Capps, Jeremy Patrick

    In this thesis we analyze two different situations where the interplay between the spin-orbit coupling (SOI) of the Rashba and Dresselhaus type, linear in the electron momentum, and the Coulomb interaction generates a specific macroscopic phenomenology that can be experimentally observed. In the first problem, we investigate the Friedel oscillations that can be sustained in the presence of the Coulomb repulsion in a two-dimensional lateral superlattice with SOI and analyze the dependence on several system parameters. Then, we are concerned with the properties of a single quantum well in the special regime where the coupling strengths of the Rashba and Dresselhaus interactions are equal. Starting from general total-energy considerations, we demonstrate that the SU(2) spin-rotation symmetry and the resulting persistent helical state (PHS) predicted to occur are not in fact realized; the actual spin order being that of an itinerant antiferromagnet (IAF). We obtain numerical results that describe the temperature evolution of the order parameter in the IAF state and determine the critical temperature of the transition to the paramagnetic order. Transport in this state is modeled by using the solutions of a Boltzmann equation obtained within the relaxation time approximation. Numerical estimates performed for realistic GaAs and InAs samples indicate that at low temperatures, the amplitude of the spin-Seebeck coefficient can be increased by scattering on magnetic impurities.

  11. Paired and interacting galaxies: Conference summary

    NASA Technical Reports Server (NTRS)

    Norman, Colin A.

    1990-01-01

    The author gives a summary of the conference proceedings. The conference began with the presentation of the basic data sets on pairs, groups, and interacting galaxies with the latter being further discussed with respect to both global properties and properties of the galactic nuclei. Then followed the theory, modelling and interpretation using analytic techniques, simulations and general modelling for spirals and ellipticals, starbursts and active galactic nuclei. Before the conference the author wrote down the three questions concerning pairs, groups and interacting galaxies that he hoped would be answered at the meeting: (1) How do they form, including the role of initial conditions, the importance of subclustering, the evolution of groups to compact groups, and the fate of compact groups; (2) How do they evolve, including issues such as relevant timescales, the role of halos and the problem of overmerging, the triggering and enhancement of star formation and activity in the galactic nuclei, and the relative importance of dwarf versus giant encounters; and (3) Are they important, including the frequency of pairs and interactions, whether merging and interactions are very important aspects of the life of a normal galaxy at formation, during its evolution, in forming bars, shells, rings, bulges, etc., and in the formation and evolution of active galaxies? Where possible he focuses on these three central issues in the summary.

  12. Wannier function approach to realistic Coulomb interactions in layered materials and heterostructures

    NASA Astrophysics Data System (ADS)

    Rösner, M.; Şaşıoǧlu, E.; Friedrich, C.; Blügel, S.; Wehling, T. O.

    2015-08-01

    We introduce an approach to derive realistic Coulomb interaction terms in freestanding layered materials and vertical heterostructures from ab initio modeling of the corresponding bulk materials. To this end, we establish a combination of calculations within the framework of the constrained random-phase approximation, Wannier function representation of Coulomb matrix elements within some low-energy Hilbert space, and continuum medium electrostatics, which we call Wannier function continuum electrostatics (WFCE). For monolayer and bilayer graphene we reproduce full ab initio calculations of the Coulomb matrix elements within an accuracy of 0.3 eV or better. We show that realistic Coulomb interactions in bilayer graphene can be manipulated on the eV scale by different dielectric and metallic environments. A comparison to electronic phase diagrams derived in M. M. Scherer et al. [Phys. Rev. B 85, 235408 (2012), 10.1103/PhysRevB.85.235408] suggests that the electronic ground state of bilayer graphene is a layered antiferromagnet and remains surprisingly unaffected by these strong changes in the Coulomb interaction.

  13. Nonlocal quantum state engineering with the Cooper pair splitter beyond the Coulomb blockade regime

    NASA Astrophysics Data System (ADS)

    Amitai, Ehud; Tiwari, Rakesh P.; Walter, Stefan; Schmidt, Thomas L.; Nigg, Simon E.

    2016-02-01

    A Cooper pair splitter consists of two quantum dots side-coupled to a conventional superconductor. Usually, the quantum dots are assumed to have a large charging energy compared to the superconducting gap, in order to suppress processes other than the coherent splitting of Cooper pairs. In this work, in contrast, we investigate the limit in which the charging energy is smaller than the superconducting gap. This allows us, in particular, to study the effect of a Zeeman field comparable to the charging energy. We find analytically that in this parameter regime the superconductor mediates an interdot tunneling term with a spin symmetry determined by the Zeeman field. Together with electrostatically tunable quantum dots, we show that this makes it possible to engineer a spin triplet state shared between the quantum dots. Compared to previous works, we thus extend the capabilities of the Cooper pair splitter to create entangled nonlocal electron pairs.

  14. Hydrodynamics of pairs of interacting cytoskeletal filaments

    NASA Astrophysics Data System (ADS)

    Shinar, Tamar; Shelley, Michael

    2011-11-01

    Pairwise filament interactions underlie the dynamics of complex cytoskeletal networks in cells. These networks in turn play a crucial role in many cellular processes such as formation of the mitotic spindle and cell cleavage in cytokinesis. We model interactions of pairs of filaments immersed in a viscous, fluidic environment. The filaments are modeled using a slender body approximation, capturing their indirect interactions mediated by the immersing fluid. Direct filament interactions via molecular motors complexes induce alignment and parallel or anti-parallel sliding. The motor proteins are modeled as simple spring-like structures that walk directionally toward one end of the filament. We examine the resulting stresses in the fluid to better understand how the microscopic interactions lead to bulk behavior of cytoskeletal networks.

  15. Nonlocal topological magnetoelectric effect by Coulomb interaction at a topological insulator-ferromagnet interface

    NASA Astrophysics Data System (ADS)

    Rex, Stefan; Nogueira, Flavio S.; Sudbø, Asle

    2016-01-01

    The interface between a topological insulator and a ferromagnetic insulator exhibits an interesting interplay of topological Dirac electrons and magnetism. As has been shown recently, the breaking of time-reversal invariance by magnetic order generates a Chern-Simons term in the action, that in turn leads to a Berry phase and a magnetoelectric effect of topological origin. Here, we consider the system in the presence of a long-range Coulomb interaction between the Dirac electrons, and find that the magnetoelectric effect of the fluctuating electric field becomes nonlocal. We derive a Landau-Lifshitz equation for the fluctuation-induced magnetization dynamics and the Euler-Lagrange equation of the Coulomb field by explicit one-loop calculations. Via the Coulomb interaction, divergences in the in-plane magnetization affect the magnetization dynamics over large distances in a topologically protected way.

  16. Bond alternation in the infinite polyene: effect of long range Coulomb interactions

    SciTech Connect

    Mazumdar, S.; Campbell, D.K.

    1985-01-01

    We investigate the effects of long-range Coulomb interactions on bond and site dimerizations in a one-dimensional half-filled band. It is shown that the ground state broken symmetry is determined by two sharp inequalities involving the Coulomb parameters. Broken symmetry with periodicity 2k/sub F/ is guaranteed only if the first inequality (downward convexity of the intersite potential) is obeyed, while the second inequality gives the phase boundary between the bond-dimerized and site-dimerized phases. Application of these inequalities to the Pariser-Parr-Pople model for linear polyenes shows that the infinite polyene has enhanced bond alternation for both Ohno and Mataga-Nishimoto parametrizations of the intersite Coulomb terms. The possible role of distant neighbor interactions in photogeneration experiments is discussed. 26 refs., 3 figs.

  17. Initial-state Coulomb interaction in the dd{yields}{alpha}{pi}{sup 0} reaction

    SciTech Connect

    Laehde, Timo A.; Miller, Gerald A.

    2007-05-15

    The effects of initial-state Coulomb interactions in the charge-symmetry-breaking reaction dd{yields}{alpha}{pi}{sup 0} are investigated within a previously published formalism. This is a leading order effect in which the Coulomb interaction between the two initial state protons leads to the breakup of the two deuterons into a continuum state that is well connected to the final {alpha}{pi}{sup 0} state by the strong emission of a pion. As a first step, we use a simplified set of d and {alpha} wave functions and a plane-wave approximation for the initial dd state. This Coulomb mechanism, by itself, yields cross sections that are much larger than the experimental ones, and which are comparable in size to the contributions from other mechanisms. Inclusion of this mechanism is therefore necessary in a realistic calculation.

  18. Effects of Coulomb interactions on the superconducting gaps in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Leong, Zhidong; Phillips, Philip

    2016-04-01

    Recent angle-resolved photoemission spectroscopy measurements of Co-doped LiFeAs report a large and robust superconducting gap on the Γ -centered hole band that lies 8 meV below the Fermi level. We show that, unlike a conventional superconductor described by BCS theory, a multiband system with strong interband Coulomb interactions can explain these observations. We model LiFeAs with a five-band model in which the shallow hole band is coupled with the other bands by only Coulomb interactions. Using Eliashberg theory, we find reasonable interaction parameters that reproduce the Tc and all five gaps of LiFeAs. The energy independence of the Coulomb interactions then ensures the robustness of the gap induced on the shallow band. Furthermore, due to the repulsive nature of the Coulomb interactions, the gap changes sign between the shallow band and the other hole pockets, corresponding to an unconventional s± gap symmetry. Unlike other families of iron-based superconductors, the gap symmetry of LiFeAs has not been ascertained experimentally. The experimental implications of this sign-changing state are discussed.

  19. Correlated Cooper pair transport and microwave photon emission in the dynamical Coulomb blockade

    NASA Astrophysics Data System (ADS)

    Leppäkangas, Juha; Fogelström, Mikael; Marthaler, Michael; Johansson, Göran

    2016-01-01

    We study theoretically electromagnetic radiation emitted by inelastic Cooper-pair tunneling. We consider a dc-voltage-biased superconducting transmission line terminated by a Josephson junction. We show that the generated continuous-mode electromagnetic field can be expressed as a function of the time-dependent current across the Josephson junction. The leading-order expansion in the tunneling coupling, similar to the P (E ) theory, has previously been used to investigate the photon emission statistics in the limit of sequential (independent) Cooper-pair tunneling. By explicitly evaluating the system characteristics up to the fourth order in the tunneling coupling, we account for dynamics between consecutively tunneling Cooper pairs. Within this approach we investigate how temporal correlations in the charge transport can be seen in the first- and second-order coherences of the emitted microwave radiation.

  20. Zero bias maximum of differential conductance in coupled quantum dots: The effect of interdot Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Rajput, Gagan; Chand, S.; Ahluwalia, P. K.; Sharma, K. C.

    2010-10-01

    In this paper, we present a theoretical study of correlated electronic transport through coupled double quantum dot (DQD) system attached to normal leads, using a generalised two impurity Anderson Hamiltonian in the presence of intra- and inter-dot Coulomb interactions. A generic formulation from which different structures, i.e. series, symmetric as well as asymmetric parallel and T-shape, can be obtained easily, is developed using Keldysh non-equilibrium Green functions method. The occupation numbers and correlators appearing in the formulation have been calculated in a self-consistent manner. A special attention is paid to investigate the ZBM in the differential conductance, which appears, develops and disappears over a particular range of interdot Coulomb interaction, in the configuration of interest. The ZBM is found to result from the renormalization of energy levels induced by the interdot Coulomb interaction and therefore an attempt has been made to understand it within the framework of local density of states. The interdot tunneling is found to enhance the effect of the interdot Coulomb interaction in inducing the ZBM in all the three configurations. Calculations for the T-shape configuration reveal that non-zero value of the interdot tunneling is an essential condition for the appearance of the ZBM in the differential conductance.

  1. Testing refined shell-model interactions in the s d shell: Coulomb excitation of 26Na

    NASA Astrophysics Data System (ADS)

    Siebeck, B.; Seidlitz, M.; Blazhev, A.; Reiter, P.; Altenkirch, R.; Bauer, C.; Butler, P. A.; de Witte, H.; Elseviers, J.; Gaffney, L. P.; Hess, H.; Huyse, M.; Kröll, T.; Lutter, R.; Pakarinen, J.; Pietralla, N.; Radeck, F.; Scheck, M.; Schneiders, D.; Sotty, C.; van Duppen, P.; Vermeulen, M.; Voulot, D.; Warr, N.; Wenander, F.; Miniball Collaboration; Rex-Isolde Collaboration

    2015-01-01

    Background: Shell-model calculations crucially depend on the residual interaction used to approximate the nucleon-nucleon interaction. Recent improvements to the empirical universal s d interaction (USD) describing nuclei within the s d shell yielded two new interactions—USDA and USDB—causing changes in the theoretical description of these nuclei. Purpose: Transition matrix elements between excited states provide an excellent probe to examine the underlying shell structure. These observables provide a stringent test for the newly derived interactions. The nucleus 26Na with 7 valence neutrons and 3 valence protons outside the doubly-magic 16O core is used as a test case. Method: A radioactive beam experiment with 26Na (T1 /2=1 ,07 s ) was performed at the REX-ISOLDE facility (CERN) using Coulomb excitation at safe energies below the Coulomb barrier. Scattered particles were detected with an annular Si detector in coincidence with γ rays observed by the segmented MINIBALL array. Coulomb excitation cross sections of the beam have been obtained by normalization to the well known Coulomb excitation cross sections of the 104Pd target. Results: The observation of three γ -ray transitions in 26Na together with available spectroscopic data allows us to determine E 2 - and M 1 -transitional matrix elements. Results are compared to theoretical predictions. Conclusion: The improved theoretical description of 26Na could be validated. Remaining discrepancies between experimental data and theoretical predictions indicate the need for future experiments and possibly further theoretical improvements.

  2. Charge avalanches and depinning in the Coulomb glass: The role of long-range interactions

    NASA Astrophysics Data System (ADS)

    Andresen, Juan Carlos; Pramudya, Yohanes; Katzgraber, Helmut G.; Thomas, Creighton K.; Zimanyi, Gergely T.; Dobrosavljević, V.

    2016-03-01

    We explore the stability of far-from-equilibrium metastable states of a three-dimensional Coulomb glass at zero temperature by studying charge avalanches triggered by a slowly varying external electric field. Surprisingly, we identify a sharply defined dynamical ("depinning") phase transition from stationary to nonstationary charge displacement at a critical value of the external electric field. Using particle-conserving dynamics, scale-free system-spanning avalanches are observed only at the critical field. We show that the qualitative features of this depinning transition are completely different for an equivalent short-range model, highlighting the key importance of long-range interactions for nonequilibrium dynamics of Coulomb glasses.

  3. Contact Pairing Interaction for the Hartree-Fock-Bogoliubov Calculations

    SciTech Connect

    Dobaczewski, J.

    2001-10-18

    Properties of density-dependent contact pairing interactions in nuclei are discussed. It is shown that the pairing interaction that is intermediate between surface and volume pairing forces gives the pairing gaps that are compatible with the experimental odd-even mass staggering. Results of the deformed Hartree-Fock-Bogoliubov calculations for this ''mixed'' pairing interaction, and using the transformed harmonic oscillator basis, are presented.

  4. Interaction of a skewed Rankine vortex pair

    NASA Astrophysics Data System (ADS)

    Jayavel, S.; Patil, Pratish P.; Tiwari, Shaligram

    2008-08-01

    An analytical investigation is carried out to study the kinematics of a fluid particle in an interacting field of a skewed pair of fixed Rankine vortices. A general formulation governing the kinematics of a fluid particle has been presented based on the superposition of the velocity field due to each vortex in the pair. The kinematics of a Lagrangian fluid particle is found to be governed by a nonlinear dynamical system. The fixed or stationary points of the dynamical system have been identified analytically and their existence is confirmed by the nature of particle paths in the neighborhood of fixed points. The nature of the particle path and velocity signal is reported for general as well as special configurations of the vortex pair in the presence and absence of an external uniform flow. As a specific application of the proposed problem, superimposition of the translational velocity on a semi-infinite field of longitudinal vortices generated by vortex generators mounted on fin plates of heat exchangers has also been studied.

  5. Odd frequency pairing of interacting Majorana fermions

    NASA Astrophysics Data System (ADS)

    Huang, Zhoushen; Woelfle, Peter; Balatsky, Alexandar

    Majorana fermions are rising as a promising key component in quantum computation. While the prevalent approach is to use a quadratic (i.e. non-interacting) Majorana Hamiltonian, when expressed in terms of Dirac fermions, generically the Hamiltonian involves interaction terms. Here we focus on the possible pair correlations in a simple model system. We study a model of Majorana fermions coupled to a boson mode and show that the anomalous correlator between different Majorana fermions, located at opposite ends of a topological wire, exhibits odd frequency behavior. It is stabilized when the coupling strength g is above a critical value gc. We use both, conventional diagrammatic theory and a functional integral approach, to derive the gap equation, the critical temperature, the gap function, the critical coupling, and a Ginzburg-Landau theory allowing to discuss a possible subleading admixture of even-frequency pairing. Work supported by USDOE DE-AC52-06NA25396 E304, Knut and Alice Wallenberg Foundation, and ERC DM-321031.

  6. Effect of long-range repulsive Coulomb interactions on packing structure of adhesive particles.

    PubMed

    Chen, Sheng; Li, Shuiqing; Liu, Wenwei; Makse, Hernán A

    2016-02-14

    The packing of charged micron-sized particles is investigated using discrete element simulations based on adhesive contact dynamic model. The formation process and the final obtained structures of ballistic packings are studied to show the effect of interparticle Coulomb force. It is found that increasing the charge on particles causes a remarkable decrease of the packing volume fraction ϕ and the average coordination number 〈Z〉, indicating a looser and chainlike structure. Force-scaling analysis shows that the long-range Coulomb interaction changes packing structures through its influence on particle inertia before they are bonded into the force networks. Once contact networks are formed, the expansion effect caused by repulsive Coulomb forces are dominated by short-range adhesion. Based on abundant results from simulations, a dimensionless adhesion parameter Ad*, which combines the effects of the particle inertia, the short-range adhesion and the long-range Coulomb interaction, is proposed and successfully scales the packing results for micron-sized particles within the latest derived adhesive loose packing (ALP) regime. The structural properties of our packings follow well the recent theoretical prediction which is described by an ensemble approach based on a coarse-grained volume function, indicating some kind of universality in the low packing density regime of the phase diagram regardless of adhesion or particle charge. Based on the comprehensive consideration of the complicated inter-particle interactions, our findings provide insight into the roles of short-range adhesion and repulsive Coulomb force during packing formation and should be useful for further design of packings. PMID:26677107

  7. Simbuca, using a graphics card to simulate Coulomb interactions in a penning trap

    NASA Astrophysics Data System (ADS)

    Van Gorp, S.; Beck, M.; Breitenfeldt, M.; De Leebeeck, V.; Friedag, P.; Herlert, A.; Iitaka, T.; Mader, J.; Kozlov, V.; Roccia, S.; Soti, G.; Tandecki, M.; Traykov, E.; Wauters, F.; Weinheimer, Ch.; Zákoucký, D.; Severijns, N.

    2011-05-01

    In almost all cases, N-body simulations are limited by the computation time available. Coulomb interaction calculations scale with O(N2) with N the number of particles. Approximation methods exist already to reduce the computation time to O(NlogN), although calculating the interaction still dominates the total simulation time. We present Simbuca, a simulation package for thousands of ions moving in a Penning trap which will be applied for the WITCH experiment. Simbuca uses the output of the Cunbody-1 library, which calculates the gravitational interaction between entities on a graphics card, and adapts it for Coulomb calculations. Furthermore the program incorporates three realistic buffer gas models, the possibility of importing realistic electric and magnetic fieldmaps and different order integrators with adaptive step size and error control. The software is released under the GNU General Public License and free for use.

  8. Cooperative interactions between paired domain and homeodomain.

    PubMed

    Jun, S; Desplan, C

    1996-09-01

    The Pax proteins are a family of transcriptional regulators involved in many developmental processes in all higher eukaryotes. They are characterized by the presence of a paired domain (PD), a bipartite DNA binding domain composed of two helix-turn-helix (HTH) motifs,the PAI and RED domains. The PD is also often associated with a homeodomain (HD) which is itself able to form homo- and hetero-dimers on DNA. Many of these proteins therefore contain three HTH motifs each able to recognize DNA. However, all PDs recognize highly related DNA sequences, and most HDs also recognize almost identical sites. We show here that different Pax proteins use multiple combinations of their HTHs to recognize several types of target sites. For instance, the Drosophila Paired protein can bind, in vitro, exclusively through its PAI domain, or through a dimer of its HD, or through cooperative interaction between PAI domain and HD. However, prd function in vivo requires the synergistic action of both the PAI domain and the HD. Pax proteins with only a PD appear to require both PAI and RED domains, while a Pax-6 isoform and a new Pax protein, Lune, may rely on the RED domain and HD. We propose a model by which Pax proteins recognize different target genes in vivo through various combinations of their DNA binding domains, thus expanding their recognition repertoire. PMID:8787739

  9. Convective Polymer Depletion on Pair Particle Interactions

    NASA Astrophysics Data System (ADS)

    Fan, Tai-Hsi; Taniguchi, Takashi; Tuinier, Remco

    2011-11-01

    Understanding transport, reaction, aggregation, and viscoelastic properties of colloid-polymer mixture is of great importance in food, biomedical, and pharmaceutical sciences. In non-adsorbing polymer solutions, colloidal particles tend to aggregate due to the depletion-induced osmotic or entropic force. Our early development for the relative mobility of pair particles assumed that polymer reorganization around the particles is much faster than particle's diffusive time, so that the coupling of diffusive and convective effects can be neglected. Here we present a nonequilibrium two-fluid (polymer and solvent) model to resolve the convective depletion effect. The theoretical framework is based on ground state approximation and accounts for the coupling of fluid flow and polymer transport to better describe pair particle interactions. The momentum and polymer transport, chemical potential, and local viscosity and osmotic pressure are simultaneously solved by numerical approximation. This investigation is essential for predicting the demixing kinetics in the pairwise regime for colloid-polymer mixtures. This work is supported by NSF CMMI 0952646.

  10. Quasiparticle weight and renormalized Fermi velocity of graphene with long-range Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Tang, Ho-Kin; Leaw, Jia Ning; Rodrigues, J. N. B.; Sengupta, P.; Assaad, F. F.; Adam, S.

    In this work, we study the effects of realistic Coulomb interactions in graphene using a projective quantum Monte Carlo simulation of electrons at half-filing on a honeycomb lattice. We compute the quasiparticle residue, the renormalized Fermi velocity and the antiferromagnetic order parameter as a function of both the long-range and short-range components of the Coulomb potential. We find that the Mott insulator transition is determined mostly by the short-range interaction and is consistent with the Gross-Neveu-Yukawa critical theory. Far from the critical point and in the semi-metallic regime, we find that the Fermi-velocity and quasiparticle residue are influenced by the long-range tail of the Coulomb potential, and for very small interaction strength are consistent with predictions of first order perturbation theory. For experimentally relevant and stronger values of the long-range interaction, our numerical data contradicts prediction from both perturbation theory and the renormalization group approaches. This work was supported by Singapore National Research Foundation (NRF-NRFF2012-01 and CA2DM mid-size Centre), Singapore Ministry of Education(Yale-NUS College R-607-265-01312 and MOE2014-T2-2-112), and DFG Grant No. AS120/9-1.

  11. Spectral broadening due to long-range Coulomb interactions in the molecular metal TTF-TCNQ

    NASA Astrophysics Data System (ADS)

    Cano-Cortés, L.; Dolfen, A.; Merino, J.; Behler, J.; Delley, B.; Reuter, K.; Koch, E.

    2007-04-01

    We employ density-functional theory to calculate realistic parameters for an extended Hubbard model of the molecular metal TTF-TCNQ. Considering both intra- and intermolecular screening in the crystal, we confirm the importance of the suspected longer-range Coulomb interactions along the molecular stacks, as well as inter-stack coupling. Contrary to past belief, these terms do not lead to the formation of a Wigner lattice, but simply broaden the spectral function.

  12. Coulomb interaction of acceptors in Cd1-xMnxTe/CdTe quantum dot

    NASA Astrophysics Data System (ADS)

    Kalpana, P.; Reuben, A. Merwyn Jasper D.; Nithiananthi, P.; Jayakumar, K.

    2014-04-01

    The investigation on the effect of confining potential like isotropic harmonic oscillator type potential on the binding and the Coulomb interaction energy of the double acceptors in the presence of magnetic field in a Cd1-xMnxTe/CdTe Spherical Quantum Dot has been made for the Mn ion composition x=0.3 and compared with the results obtained from the square well type potential using variational procedure in the effective mass approximation.

  13. Coulomb Interaction between InAs/GaAs Quantum Dots and Adjacent Impurities

    SciTech Connect

    Engstroem, O.; Kaniewska, M.; Kaczmarczyk, M.

    2011-12-23

    Defects positioned close to a plane of quantum dots (QDs) are shown to be influenced by coulomb interaction effect when the quantum dots are charged by electrons. Signals from deep level transient spectroscopy (DLTS) measurement give rise to a mirror effect in the spectrum depending on movement of the defect energy level in relation to the Fermi-level as a result of the electron traffic at the QDs.

  14. Physical interrelation between Fokker-Planck and random walk models with application to Coulomb interactions.

    NASA Technical Reports Server (NTRS)

    Englert, G. W.

    1971-01-01

    A model of the random walk is formulated to allow a simple computing procedure to replace the difficult problem of solution of the Fokker-Planck equation. The step sizes and probabilities of taking steps in the various directions are expressed in terms of Fokker-Planck coefficients. Application is made to many particle systems with Coulomb interactions. The relaxation of a highly peaked velocity distribution of particles to equilibrium conditions is illustrated.

  15. New calculations and measurements of the Coulomb cross-section for the production of direct electron pairs by high energy nuclei

    NASA Technical Reports Server (NTRS)

    Derrickson, J. H.; Dake, S.; Dong, B. L.; Eby, P. B.; Fountain, W. F.; Fuki, M.; Gregory, J. C.; Hayashi, T.; Iyono, A.; King, D. T.

    1989-01-01

    Recently, new calculations were made of the direct Coulomb pair cross section that rely less in arbitrary parameters. More accurate calculations of the cross section down to low pair energies were made. New measurements of the total direct electron pair yield, and the energy and angular distribution of the electron pairs in emulsion were made for O-16 at 60 and 200 GeV/amu at S-32 at 200 GeV/amu which give satisfactory agreement with the new calculations. These calculations and measurements are presented along with previous accelerator measurements made of this effect during the last 40 years. The microscope scanning criteria used to identify the direct electron pairs is described. Prospects for application of the pair method to cosmic ray energy measurements in the region 10 (exp 13) to 10 (exp 15) eV/amu are discussed.

  16. Independent pair parton interactions model of hadron interactions

    NASA Astrophysics Data System (ADS)

    Dremin, I. M.; Nechitailo, V. A.

    2004-08-01

    A model of independent pair parton interactions is proposed, according to which hadron interactions are represented by a set of independent binary parton collisions. The final multiplicity distribution is described by a convolution of the negative binomial distributions in each of the partonic collisions. As a result, it is given by a weighted sum of negative binomial distributions with parameters multiplied by the number of active pairs. Its shape and moments are considered. Experimental data on multiplicity distributions in high energy pp¯ processes are well fitted by these distributions. Predictions for the CERN Large Hadron Collider and higher energies are presented. The difference between e+e- and pp¯ processes is discussed.

  17. Self-Consistent Monte Carlo Study of the Coulomb Interaction under Nano-Scale Device Structures

    NASA Astrophysics Data System (ADS)

    Sano, Nobuyuki

    2011-03-01

    It has been pointed that the Coulomb interaction between the electrons is expected to be of crucial importance to predict reliable device characteristics. In particular, the device performance is greatly degraded due to the plasmon excitation represented by dynamical potential fluctuations in high-doped source and drain regions by the channel electrons. We employ the self-consistent 3D Monte Carlo (MC) simulations, which could reproduce both the correct mobility under various electron concentrations and the collective plasma waves, to study the physical impact of dynamical potential fluctuations on device performance under the Double-gate MOSFETs. The average force experienced by an electron due to the Coulomb interaction inside the device is evaluated by performing the self-consistent MC simulations and the fixed-potential MC simulations without the Coulomb interaction. Also, the band-tailing associated with the local potential fluctuations in high-doped source region is quantitatively evaluated and it is found that the band-tailing becomes strongly dependent of position in real space even inside the uniform source region. This work was partially supported by Grants-in-Aid for Scientific Research B (No. 2160160) from the Ministry of Education, Culture, Sports, Science and Technology in Japan.

  18. The effects of Coulomb interactions on the superconducting gaps in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Leong, Zhidong; Phillips, Philip

    2015-03-01

    Recent ARPES measurements on Co-doped LiFeAs report a large and robust superconducting gap on a band below the chemical potential. We will show that, unlike a conventional BCS theory, a multiband system with strong interband Coulomb interactions can explain the observations. We use a two-band model consisting of a superconducting electron band and a hole band that is below the chemical potential. The two bands are coupled via interband Coulomb interactions. Using Eliashberg theory, we found that superconductivity in the electron band induces a large superconducting gap in the hole band. Furthermore, the repulsive nature of the Coulomb interactions gives the induced gap an opposite sign, corresponding to an s+/- gap symmetry. Unlike other families of iron pnictides, the gap symmetry of LiFeAs has not been ascertained experimentally. The implications for the superconducting mechanism in iron pnictides will be discussed. Z. Leong is supported by a scholarship from the Agency of Science, Technology and Research. P. Phillips is supported by the Center for Emergent Superconductivity, a DOE Energy Frontier Research Center, Grant No. DE-AC0298CH1088.

  19. Magnetic field effect on the Coulomb interaction of acceptors in semimagnetic quantum dot

    SciTech Connect

    Kalpana, P.; Merwyn, A.; Nithiananthi, P.; Jayakumar, K.; Reuben, Jasper D.

    2015-06-24

    The Coulomb interaction of holes in a Semimagnetic Cd{sub 1-x}Mn{sub x}Te / CdTe Spherical and Cubical Quantum Dot (SMQD) in a magnetic field is studied using variational approach in the effective mass approximation. Since these holes in QD show a pronounced collective behavior, while distinct single particle phenomena is suppressed, their interaction in confined potential becomes very significant. It has been observed that acceptor-acceptor interaction is more in cubical QD than in spherical QD which can be controlled by the magnetic field. The results are presented and discussed.

  20. Atomic Regime in Which the Magnetic Interaction Dominates the Coulomb Interaction for Highly Excited States of Hydrogen

    PubMed Central

    Mueller, Ronald O.; Hughes, Vernon W.

    1974-01-01

    The atomic regime in which the interaction of the electron with an external magnetic field dominates the Coulomb interaction with the nucleus, relevant to pulsars, can be realized at laboratory magnetic fields for discrete autoionized states of hydrogen, at energies above the ionization limit. Approximate wave functions, energy levels, and electric dipole transition probabilities are presented for hydrogen, and an atomic beam absorption spectroscopy experiment at 50 kG is proposed to study this new regime. PMID:16578723

  1. Coulomb enhancement of superconducting pair-pair correlations in a 3/4 -filled model for κ -(BEDT-TTF)2X

    NASA Astrophysics Data System (ADS)

    De Silva, W. Wasanthi; Gomes, N.; Mazumdar, S.; Clay, R. T.

    2016-05-01

    We present the results of precise correlated-electron calculations on the monomer lattices of the organic charge-transfer solids κ -(BEDT-TTF) 2X for 32 and 64 molecular sites. Our calculations are for band parameters corresponding to X =Cu[N (CN) 2]Cl and Cu2(CN) 3, which are semiconducting antiferromagnetic and quantum spin liquid, respectively, at ambient pressure. We have performed our calculations for variable electron densities ρ per BEDT-TTF molecule, with ρ ranging from 1 to 2. We find that d -wave superconducting pair-pair correlations are enhanced by electron-electron interactions only for a narrow carrier concentration about ρ =1.5 , which is precisely the carrier concentration where superconductivity in the charge-transfer solids occurs. Our results indicate that the enhancement in pair-pair correlations is not related to antiferromagnetic order, but to a proximate hidden spin-singlet state that manifests itself as a charge-ordered state in other charge-transfer solids. Long-range superconducting order does not appear to be present in the purely electronic model, suggesting that electron-phonon interactions also must play a role in a complete theory of superconductivity.

  2. Transport coefficients of graphene: Interplay of impurity scattering, Coulomb interaction, and optical phonons

    NASA Astrophysics Data System (ADS)

    Xie, Hong-Yi; Foster, Matthew S.

    2016-05-01

    We study the electric and thermal transport of the Dirac carriers in monolayer graphene using the Boltzmann-equation approach. Motivated by recent thermopower measurements [F. Ghahari, H.-Y. Xie, T. Taniguchi, K. Watanabe, M. S. Foster, and P. Kim, Phys. Rev. Lett. 116, 136802 (2016), 10.1103/PhysRevLett.116.136802], we consider the effects of quenched disorder, Coulomb interactions, and electron-optical-phonon scattering. Via an unbiased numerical solution to the Boltzmann equation we calculate the electrical conductivity, thermopower, and electronic component of the thermal conductivity, and discuss the validity of Mott's formula and of the Wiedemann-Franz law. An analytical solution for the disorder-only case shows that screened Coulomb impurity scattering, although elastic, violates the Wiedemann-Franz law even at low temperature. For the combination of carrier-carrier Coulomb and short-ranged impurity scattering, we observe the crossover from the interaction-limited (hydrodynamic) regime to the disorder-limited (Fermi-liquid) regime. In the former, the thermopower and the thermal conductivity follow the results anticipated by the relativistic hydrodynamic theory. On the other hand, we find that optical phonons become non-negligible at relatively low temperatures and that the induced electron thermopower violates Mott's formula. Combining all of these scattering mechanisms, we obtain the thermopower that quantitatively coincides with the experimental data.

  3. Charge separation in organic solar cells: Effects of Coulomb interaction, recombination and hole propagation

    NASA Astrophysics Data System (ADS)

    Nemati Aram, Tahereh; Asgari, Asghar; Mayou, Didier

    2016-07-01

    Bulk heterojunction (BHJ) organic photovoltaic cells are analysed within a simple efficient model that includes the important physical properties of such photovoltaic systems. In this model, in contrast with most of the previous studies, we take into account the motion of both the electron and the hole in the separation process at the donor-acceptor interface. We theoretically examine the exciton dissociation yield under the influences of charge Coulomb interaction and non-radiative recombination. We find that the electron-hole local Coulomb attraction and charge carriers' coupling parameters play an important role in the system performance and in the optimal energy conversion efficiency of the BHJ photocell. We show that the fixed-hole models tend to underestimate the yield.

  4. Doubly excited {sup 1,3}P{sup e} resonance states of helium and the hydrogen negative ion interacting with Coulomb and screened Coulomb potentials

    SciTech Connect

    Kar, Sabyasachi; Ho, Y. K.

    2011-04-15

    We have investigated the doubly excited {sup 1,3}P{sup e} resonance states of helium and the hydrogen negative ion interacting with Coulomb and screened Coulomb potentials using exponential correlated wave functions. In the pure Coulomb case, calculations have been carried out by using the complex-coordinate rotation and the stabilization method. The {sup 1}P{sup e} resonance states of He below the N= 3, 4, and 5 thresholds of He{sup +}, and the {sup 3}P{sup e} resonance states of He below the N= 3 thresholds of He{sup +}, are reported. The 5p{sup 2} {sup 3}P{sup e} state, which has attracted recent interest, is also reported and discussed. In the screened Coulomb case, we have used the stabilization method to obtain two different series (3pnp and 3dnd) of resonance states below the N= 3 He{sup +} threshold as a function of the screening parameters. Resonance widths for the 3dnd series show some interesting behaviors. The resonance parameters (position and width) for helium and the hydrogen negation ion as functions of the screening parameters are reported.

  5. Effective single-band models for the high-Tc cuprates. I. Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Feiner, L. F.; Jefferson, J. H.; Raimondi, R.

    1996-04-01

    Starting with the three-band extended Hubbard model (or d-p model) widely used to represent the CuO2 planes in the high-Tc cuprates, we make a systematic reduction to an effective single-band model using a previously developed cell-perturbation method. The range of parameters for which this mapping is a good approximation is explored in the full Zaanen-Sawatzky-Allen diagram (copper Coulomb repulsion Ud versus charge-transfer energy ɛ), together with an investigation of the validity of a further mapping to an effective charge-spin (t-J-V) model. The variation of the effective single-band parameters with the parameters of the underlying multi-band model is investigated in detail, and the parameter regime where the model represents the high-Tc cuprates is examined for specific features that might distinguish it from the general case. In particular, we consider the effect of Coulomb repulsions on oxygen (Up) and between copper and oxygen (Vpd). We find that the reduction to an effective single-band model is generally valid for describing the low-energy physics, and that Vpd and Up (unless unrealistically large) actually slightly improve the convergence of the cell-perturbation method. Unlike in the usual single-band Hubbard model, the effective intercell hopping and Coulomb interactions are different for electrons and holes. We find that this asymmetry, which vanishes in the extreme Mott-Hubbard regime (Ud<<ɛ), is quite appreciable in the charge-transfer regime (Ud>~ɛ), particularly for the effective Coulomb interactions. We show that for doped holes (forming Zhang-Rice singlets) on neighboring cells the interaction induced by Vpd can even be attractive due to locally enhanced pd hybridization, while this cannot occur for electrons. The Coulomb interaction induced by Up is always repulsive; in addition Up gives rise to a ferromagnetic spin-spin interaction which opposes antiferromagnetic superexchange. We show that for hole-doped systems this leads to a subtle

  6. Residue Coulomb Interaction Among Isobars and Its Influence in Symmetry Energy of Neutron-Rich Fragment

    NASA Astrophysics Data System (ADS)

    Ma, Chun-Wang; Wang, Shan-Shan; Zhang, Yan-Li; Zhao, Yi-Long; Wei, Hui-Ling

    2015-09-01

    The residue Coulomb interaction (RCI), which affects the result of symmetry-energy coefficient of neutron-rich nucleus in isobaric yield ratio (IYR) method, is difficult to be determined. Four RCI approximations are investigated: (i) The M1-RCI adopting the ac/T (the ratio of Coulomb energy coefficient to temperature) determined from the IYR of mirror-nucleus fragments; (ii) The M2-RCI by fitting the difference between IYRs; (iii) The M3-RCI adopting the standard Coulomb energy at a temperature T = 2 MeV; and (iv) Neglecting the RCI among isobars. The M1-, M2- and M3-RCI are no larger than 0.4. In particular, the M2-RCI is very close to zero. The effects of RCI in asym/T of fragment are also studied. The M1- and M4-asym/T are found to be the lower and upper limitations of asym/T, respectively. The M2-asym/T overlaps the M4-asym/T, which indicates that the M2-RCI is negligible in the IYR method, and the RCI among the three isobars can be neglected. The relative consistent low values of M3-asym/T (7.5 ± 2.5) are found in very neutron-rich isobars. Supported by the Program for Science & Technology Innovation Talents in Universities of Henan Province (13HASTIT046), and Young Teacher Project in Henan Normal University (HNU), China

  7. Understanding the influence of Coulomb and dispersion interactions on the wetting behavior of ionic liquids.

    PubMed

    Rane, Kaustubh S; Errington, Jeffrey R

    2014-11-01

    We study the role of dispersion and electrostatic interactions in the wetting behavior of ionic liquids on non-ionic solid substrates. We consider a simple model of an ionic liquid consisting of spherical ions that interact via Lennard-Jones and Coulomb potentials. Bulk and interfacial properties are computed for five fluids distinguished by the strength of the electrostatic interaction relative to the dispersion interaction. We employ Monte Carlo simulations and an interface-potential-based approach to calculate the liquid-vapor and substrate-fluid interfacial properties. Surface tensions for each fluid are evaluated over a range of temperatures that spans from a reduced temperature of approximately 0.6 to the critical point. Contact angles are calculated at select temperatures over a range of substrate-fluid interaction strengths that spans from the near-drying regime to the wetting regime. We observe that an increase in the relative strength of Coulombic interactions between ions leads to increasing deviation from Guggenheim's corresponding states theory. We show how this deviation is related to lower values of liquid-vapor excess entropies observed for strongly ionic fluids. Our results show that the qualitative nature of wetting behavior is significantly influenced by the competition between dispersion and electrostatic interactions. We discuss the influence of electrostatic interactions on the nature of wetting and drying transitions and corresponding states like behavior observed for contact angles. For all of the fluids studied, we observe a relatively narrow range of substrate-fluid interaction strengths wherein the contact angle is nearly independent of temperature. The influence of the ionic nature of the fluid on the temperature dependence of contact angle is also discussed. PMID:25381536

  8. Isospin Dependent Pairing Interactions and BCS-BEC crossover

    SciTech Connect

    Sagawa, H.; Margueron, J.; Hagino, K.

    2008-11-11

    We propose new types of density dependent contact pairing interaction which reproduce the pairing gaps in symmetric and neutron matters obtained by a microscopic treatment based on the realistic nucleon-nucleon interaction. The BCS-BEC crossover of neutrons pairs in symmetric and asymmetric nuclear matters is studied by using these contact interactions. It is shown that the bare and screened pairing interactions lead to different features of the BCS-BEC crossover in symmetric nuclear matter. We perform Hartree-Fock-Bogoliubov (HFB) calculations for semi-magic Calcium, Nickel, Tin and Lead isotopes and N = 20, 28, 50 and 82 isotones using these density-dependent pairing interactions. Our calculations well account for the experimental data for the neutron number dependence of binding energy, two neutrons separation energy, and odd-even mass staggering of these isotopes. Especially the interaction IS+IV Bare without the medium polarization effect gives satisfactory results for all the isotopes.

  9. Theory of intervalley Coulomb interactions in monolayer transition-metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Dery, Hanan

    2016-08-01

    Exciton optical transitions in transition-metal dichalcogenides offer unique opportunities to study rich many-body physics. Recent experiments in monolayer WSe2 and WS2 have shown that, while the low-temperature photoluminescence from neutral excitons and three-body complexes is suppressed in the presence of elevated electron densities or strong photoexcitation, new dominant peaks emerge in the low-energy side of the spectrum. I present a theory that elucidates the nature of these optical transitions showing the role of the intervalley Coulomb interaction. After deriving a compact dynamical form for the Coulomb potential, I calculate the self-energy of electrons due to their interaction with this potential. For electrons in the upper valleys of the spin-split conduction band, the self-energy includes a moderate redshift due to exchange and, most importantly, a correlation-induced virtual state in the band gap. The latter sheds light on the origin of the luminescence in monolayer WSe2 and WS2 in the presence of pronounced many-body interactions.

  10. Coulomb-induced pairing in a quarter-filled band model for κ-(BEDT-TTF)2X

    NASA Astrophysics Data System (ADS)

    de Silva, W. Wasanthi; Gomes, Niladri; Mazumdar, Sumit; Clay, R. Torsten

    κ -(BEDT-TTF)2X is a two dimensional organic charge transfer solid superconductor with a hole density of one half per (BEDT-TTF) molecule. With one hole per dimer of molecules, the material is frequently described using an effective 1 / 2 -filled band Hubbard model on an anisotropic triangular lattice. Within this effective model a metal to antiferromagnetic (AFM) semiconductor phase transition is found. Calculations beyond the mean field level, however, have shown absence of superconductivity within the model. We present the results of correlated-electron calculations on the κ-lattice for up to 64 BEDT-TTF molecules using the Constrained Path Monte Carlo (CPMC) and Path Integral Renormalization Group (PIRG) methods over a wide range of carrier density. We show that superconducting pair-pair correlations in this model are enhanced by electron-electron (e-e) interactions for d-wave pairing symmetry uniquely for hole density close to quarter-filling. Our results indicate that this enhancement of superconductivity is not related to the presence of AFM order, but to the strong tendency to spin-singlet formation in the quarter-filled band. Supported by DOE Grant DE-FG02-06ER46315 and NSF-CHE-151475.

  11. Coulomb drag

    NASA Astrophysics Data System (ADS)

    Narozhny, B. N.; Levchenko, A.

    2016-04-01

    Coulomb drag is a transport phenomenon whereby long-range Coulomb interaction between charge carriers in two closely spaced but electrically isolated conductors induces a voltage (or, in a closed circuit, a current) in one of the conductors when an electrical current is passed through the other. The magnitude of the effect depends on the exact nature of the charge carriers and the microscopic, many-body structure of the electronic systems in the two conductors. Drag measurements have become part of the standard toolbox in condensed matter physics that can be used to study fundamental properties of diverse physical systems including semiconductor heterostructures, graphene, quantum wires, quantum dots, and optical cavities.

  12. Interacting preformed Cooper pairs in resonant Fermi gases

    SciTech Connect

    Gubbels, K. B.; Stoof, H. T. C.

    2011-07-15

    We consider the normal phase of a strongly interacting Fermi gas, which can have either an equal or an unequal number of atoms in its two accessible spin states. Due to the unitarity-limited attractive interaction between particles with different spin, noncondensed Cooper pairs are formed. The starting point in treating preformed pairs is the Nozieres-Schmitt-Rink (NSR) theory, which approximates the pairs as being noninteracting. Here, we consider the effects of the interactions between the Cooper pairs in a Wilsonian renormalization-group scheme. Starting from the exact bosonic action for the pairs, we calculate the Cooper-pair self-energy by combining the NSR formalism with the Wilsonian approach. We compare our findings with the recent experiments by Harikoshi et al. [Science 327, 442 (2010)] and Nascimbene et al. [Nature (London) 463, 1057 (2010)], and find very good agreement. We also make predictions for the population-imbalanced case, which can be tested in experiments.

  13. Relativistic symmetries with the trigonometric Pöschl—Teller potential plus Coulomb-like tensor interaction

    NASA Astrophysics Data System (ADS)

    Babatunde, J. Falaye; Sameer, M. Ikhdair

    2013-06-01

    The Dirac equation is solved to obtain its approximate bound states for a spin-1/2 particle in the presence of trigonometric Pöschl—Teller (tPT) potential including a Coulomb-like tensor interaction with arbitrary spin—orbit quantum number κ using an approximation scheme to substitute the centrifugal terms κ(κ ± 1)r-2. In view of spin and pseudo-spin (p-spin) symmetries, the relativistic energy eigenvalues and the corresponding two-component wave functions of a particle moving in the field of attractive and repulsive tPT potentials are obtained using the asymptotic iteration method (AIM). We present numerical results in the absence and presence of tensor coupling A and for various values of spin and p-spin constants and quantum numbers n and κ. The non-relativistic limit is also obtained.

  14. Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

    SciTech Connect

    Xie, L. Y.; Wang, J. G.; Janev, R. K.

    2014-06-15

    The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl→ε,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels. The relativistic effects are studied in the photoionization of Fe{sup 25+} ion, as an example.

  15. Coulomb Interaction Effect in Weyl Fermions with Tilted Energy Dispersion in Two Dimensions

    NASA Astrophysics Data System (ADS)

    Isobe, Hiroki; Nagaosa, Naoto

    2016-03-01

    Weyl fermions with tilted linear dispersions characterized by several different velocities appear in some systems including the quasi-two-dimensional organic semiconductor α -(BEDT -TTF )2I3 and three-dimensional WTe2 . The Coulomb interaction between electrons modifies the velocities in an essential way in the low-energy limit, where the logarithmic corrections dominate. Taking into account the coupling to both the transverse and longitudinal electromagnetic fields, we derive the renormalization group equations for the velocities of the tilted Weyl fermions in two dimensions, and found that they increase as the energy decreases and eventually hit the speed of light c to result in the Cherenkov radiation. Especially, the system restores the isotropic Weyl cone even when the bare Weyl cone is strongly tilted and the velocity of electrons becomes negative in certain directions.

  16. Coulomb Interaction Effect in Weyl Fermions with Tilted Energy Dispersion in Two Dimensions.

    PubMed

    Isobe, Hiroki; Nagaosa, Naoto

    2016-03-18

    Weyl fermions with tilted linear dispersions characterized by several different velocities appear in some systems including the quasi-two-dimensional organic semiconductor α-(BEDT-TTF)_{2}I_{3} and three-dimensional WTe_{2}. The Coulomb interaction between electrons modifies the velocities in an essential way in the low-energy limit, where the logarithmic corrections dominate. Taking into account the coupling to both the transverse and longitudinal electromagnetic fields, we derive the renormalization group equations for the velocities of the tilted Weyl fermions in two dimensions, and found that they increase as the energy decreases and eventually hit the speed of light c to result in the Cherenkov radiation. Especially, the system restores the isotropic Weyl cone even when the bare Weyl cone is strongly tilted and the velocity of electrons becomes negative in certain directions. PMID:27035318

  17. Quasi-particle spectrum in trilayer graphene: Role of onsite coulomb interaction and interlayer coupling

    NASA Astrophysics Data System (ADS)

    Kumar, Sanjay; Ajay

    2015-01-01

    Stacking dependent quasi-particle spectrum and density of states (DOS) in trilayer (ABC-, ABA- and AAA-stacked) graphene are analyzed using mean-field Green's function equations of motion method. Interlayer coupling (t1) is found to be responsible for the splitting of quasi-particle peaks in each stacking order. Coulomb interaction suppresses the trilayer splitting and generates a finite gap at Fermi level in ABC- while a tiny gap in ABA-stacked trilayer graphene. Influence of t⊥ is prominent for AAA-stacking as compared to ABC- and ABA-stacking orders. The theoretically obtained quasi-particle energies and DOS has been viewed in terms of recent angle resolved photoemission spectroscopic (ARPES) and scanning tunneling microscopic (STM) data available on these systems.

  18. Effective single-band Hubbard model for the cuprates: Coulomb interactions and apical oxygen

    NASA Astrophysics Data System (ADS)

    Feiner, L. F.; Jefferson, J. H.; Raimondi, R.

    1995-02-01

    Starting with the three-band d-p model representing the high- Tc cuprates, we make a systematic reduction to an effective single-band model using a previously developed cell-perturbation method. In particular, we consider the effect of Coulomb repulsions on oxygen ( Up) and between copper and oxygen ( Vpd), and show that the resulting net Coloumb interaction between doped holes on neighbouring cells can be attractive due to locally enhanced pd hybridization, while this cannot occur for electrons. Extending to a five-band model, by including d 3 z2- r2 and apex p z orbitals, we show that there is, in addition to the usual Zhang-Rice singlet, a two-hole cell state which can be low in energy (depending on the proximity of the apicals), and may lead to a breakdown of the effective single-band model.

  19. Coulomb interactions in a low-voltage focussed ion beam system

    NASA Astrophysics Data System (ADS)

    Marianowski, K.; Ohnweiler, T.; Plies, E.

    2011-07-01

    To be able to further optimise a low-voltage focussed ion beam system with immersion lenses and booster principle it is necessary to investigate the influence of Coulomb interactions in such a system in more detail. Therefore, Monte Carlo simulations have been done for an example system consisting of two immersion lenses separated by a drift space set to high potential (booster voltage) using both the commercial software package IMAGE by Mebs Ltd. and the programme MONTEC developed by G.H. Jansen. Parameters varied here are the total column length, the working distance as well as the internal operating mode of the objective lens. Results will be presented for landing energies of 3, 2 and 1 keV.

  20. Fermi surface versus Fermi sea contributions to intrinsic anomalous and spin Hall effects of multiorbital metals in the presence of Coulomb interaction and spin-Coulomb drag

    NASA Astrophysics Data System (ADS)

    Arakawa, Naoya

    2016-06-01

    Anomalous Hall effect (AHE) and spin Hall effect (SHE) are fundamental phenomena, and their potential for application is great. However, we understand the interaction effects unsatisfactorily, and should have clarified issues about the roles of the Fermi sea term and Fermi surface term of the conductivity of the intrinsic AHE or SHE of an interacting multiorbital metal and about the effects of spin-Coulomb drag on the intrinsic SHE. Here, we resolve the first issue and provide the first step about the second issue by developing a general formalism in the linear response theory with appropriate approximations and using analytic arguments. The most striking result is that even without impurities, the Fermi surface term, a non-Berry-curvature term, plays dominant roles at high or slightly low temperatures. In particular, this Fermi surface term causes the temperature dependence of the dc anomalous Hall or spin Hall conductivity due to the interaction-induced quasiparticle damping and the correction of the dc spin Hall conductivity due to the spin-Coulomb drag. Those results revise our understanding of the intrinsic AHE and SHE. We also find that the differences between the dc anomalous Hall and longitudinal conductivities arise from the difference in the dominant multiband excitations. This not only explains why the Fermi sea term such as the Berry-curvature term becomes important in clean and low-temperature case only for interband transports, but also provides the useful principles on treating the electron-electron interaction in an interacting multiorbital metal for general formalism of transport coefficients. Several correspondences between our results and experiments are finally discussed.

  1. Measurements and calculations of the Coulomb cross section for the production of direct electron pairs by energetic heavy nuclei in nuclear track emulsion

    NASA Technical Reports Server (NTRS)

    Derrickson, J. H.; Eby, P. B.; Fountain, W. F.; Parnell, T. A.; Dong, B. L.; Gregory, J. C.; Takahashi, Y.; King, D. T.

    1988-01-01

    Measurements and theoretical predictions of the Coulomb cross section for the production of direct electron pairs by heavy ions in emulsion have been performed. Nuclear track emulsions were exposed to the 1.8 GeV/amu Fe-56 beam at the Lawrence Berkeley Laboratory bevalac and to the 60 and 200 GeV/amu O-16 and the 200 GeV/amu S-32 beam at the European Center for Nuclear Research Super Proton Synchrotron modified to accelerate heavy ions. The calculations combine the Weizsacker-Williams virtual quanta method applicable to the low-energy transfers and the Kelner-Kotov relativistic treatment for the high-energy transfers. Comparison of the measured total electron pair yield, the energy transfer distribution, and the emission angle distribution with theoretical predictions revealed a discrepancy in the frequency of occurrence of the low-energy pairs (less than or = 10 MeV). The microscope scanning criteria used to identify the direct electron pairs is described and efforts to improve the calculation of the cross section for pair production are also discussed.

  2. Hartree-Fock ground-state energy of anyons with no Coulomb interaction in the zero effective field

    NASA Astrophysics Data System (ADS)

    Sitko, Piotr

    1994-05-01

    We find, in the Hartree-Fock approximation, the ground-state energy of anyons with no Coulomb interaction in the case when the external magnetic field precisely cancels the average statistical field. From the point of view of the fractional quantum Hall effect it is shown that statistics transmutations to superfermions at filling fractions v = {1}/{2 p} are not energetically favourable.

  3. Charge and spin order in one dimensional systems with long range Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Belen Valenzuela, M.; Fratini, Simone; Baeriswyl, Dionys

    2004-03-01

    In this talk I present our results of studying a system of electrons on a one-dimensional lattice, interacting through long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. For quarter filling we find that the effects of commensurability together with the strength of the interaction give rise to charge ordering as the ground state. When we add the spin degrees of freedom it is found that they are coupled by an antiferromagnetic kinetic exchange J, which turn out to be much smaller than the energy scale governing the charge degrees of freedom. Our results shed new light on the insulating phases of organic quasi-1D compounds where charge ordering sets in at high temperatures and coexists with spin ordering at low temperatures. We also present a phase diagram of interaction versus fillings where we identify three phases: weak charge density waves, Wigner crystal and Generalized Wigner crystal (solution of the Wigner crystal problem with the additional constraint for the electrons of living in the host lattice of the ions). Refs: B. Valenzuela et al. Phys. Rev. B, 68 (2003) 045112, S. Fratini et al. Contribution to the Michael J. Rice Special Issue of "Synthetic Metals" 2003, (cond-mat/0309450).

  4. Unlike-pair interactions at high pressure and high temperature

    SciTech Connect

    Ree, F.H.; van Thiel, M.

    1993-07-01

    Although there are more unlike-pairs than like-pairs in detonation products, information on unlike-pair interactions is scarce at present. We describe how unlike pair-interactions involving dissociation products of CO and CO{sub 2} can be derived by means of an accurate statistical mechanical theory of mixtures and recent shock wave data of CO and CO{sub 2}. We then extend this complex study further by interpreting shock data of liquid NO and N{sub 2} + O{sub 2} mixture. It was done by constraining the resulting potentials to agree with all available Hugoniot data of chemical species occurring in detonation products in a self-consistent manner.

  5. Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA.

    PubMed

    Vengut-Climent, Empar; Gómez-Pinto, Irene; Lucas, Ricardo; Peñalver, Pablo; Aviñó, Anna; Fonseca Guerra, Célia; Bickelhaupt, F Matthias; Eritja, Ramón; González, Carlos; Morales, Juan C

    2016-07-18

    Noncovalent forces rule the interactions between biomolecules. Inspired by a biomolecular interaction found in aminoglycoside-RNA recognition, glucose-nucleobase pairs have been examined. Deoxyoligonucleotides with a 6-deoxyglucose insertion are able to hybridize with their complementary strand, thus exhibiting a preference for purine nucleobases. Although the resulting double helices are less stable than natural ones, they present only minor local distortions. 6-Deoxyglucose stays fully integrated in the double helix and its OH groups form two hydrogen bonds with the opposing guanine. This 6-deoxyglucose-guanine pair closely resembles a purine-pyrimidine geometry. Quantum chemical calculations indicate that glucose-purine pairs are as stable as a natural T-A pair. PMID:27328804

  6. Systematic Detection of Epistatic Interactions Based on Allele Pair Frequencies

    PubMed Central

    Ackermann, Marit; Beyer, Andreas

    2012-01-01

    Epistatic genetic interactions are key for understanding the genetic contribution to complex traits. Epistasis is always defined with respect to some trait such as growth rate or fitness. Whereas most existing epistasis screens explicitly test for a trait, it is also possible to implicitly test for fitness traits by searching for the over- or under-representation of allele pairs in a given population. Such analysis of imbalanced allele pair frequencies of distant loci has not been exploited yet on a genome-wide scale, mostly due to statistical difficulties such as the multiple testing problem. We propose a new approach called Imbalanced Allele Pair frequencies (ImAP) for inferring epistatic interactions that is exclusively based on DNA sequence information. Our approach is based on genome-wide SNP data sampled from a population with known family structure. We make use of genotype information of parent-child trios and inspect 3×3 contingency tables for detecting pairs of alleles from different genomic positions that are over- or under-represented in the population. We also developed a simulation setup which mimics the pedigree structure by simultaneously assuming independence of the markers. When applied to mouse SNP data, our method detected 168 imbalanced allele pairs, which is substantially more than in simulations assuming no interactions. We could validate a significant number of the interactions with external data, and we found that interacting loci are enriched for genes involved in developmental processes. PMID:22346757

  7. Importance of anisotropic Coulomb interaction in LaMnO3

    NASA Astrophysics Data System (ADS)

    Mellan, Thomas A.; Corà, Furio; Grau-Crespo, Ricardo; Ismail-Beigi, Sohrab

    2015-08-01

    In low-temperature antiferromagnetic LaMnO3, strong and localized electronic interactions among Mn 3 d electrons prevent a satisfactory description from standard local density and generalized gradient approximations in density functional theory calculations. Here, we show that the strong on-site electronic interactions are described well only by using direct and exchange corrections to the intraorbital Coulomb potential. Only DFT + U calculations with explicit exchange corrections produce a balanced picture of electronic, magnetic, and structural observables in agreement with experiment. To understand the reason, a rewriting of the functional form of the + U corrections is presented that leads to a more physical and transparent understanding of the effect of these correction terms. The approach highlights the importance of Hund's coupling (intraorbital exchange) in providing anisotropy across the occupation and energy eigenvalues of the Mn d states. This intraorbital exchange is the key to fully activating the Jahn-Teller distortion, reproducing the experimental band gap and stabilizing the correct magnetic ground state in LaMnO3. The best parameter values for LaMnO3 within the DFT (PBEsol) + U framework are determined to be U =8 eV and J =1.9 eV.

  8. The Coulomb interaction in Helium-3: Interplay of strong short-range and weak long-range potentials

    NASA Astrophysics Data System (ADS)

    Kirscher, J.; Gazit, D.

    2016-04-01

    Quantum chromodynamics and the electroweak theory at low energies are prominent instances of the combination of a short-range and a long-range interaction. For the description of light nuclei, the large nucleon-nucleon scattering lengths produced by the strong interaction, and the reduction of the weak interaction to the Coulomb potential, play a crucial role. Helium-3 is the first bound nucleus comprised of more than one proton in which this combination of forces can be studied. We demonstrate a proper renormalization of Helium-3 using the pionless effective field theory as the formal representation of the nuclear regime as strongly interacting fermions. The theory is found consistent at leading and next-to-leading order without isospin-symmetry-breaking 3-nucleon interactions and a non-perturbative treatment of the Coulomb interaction. The conclusion highlights the significance of the regularization method since a comparison to previous work is contradictory if the difference in those methods is not considered. With a perturbative Coulomb interaction, as suggested by dimensional analysis, we find the Helium-3 system properly renormalized, too. For both treatments, renormalization-scheme independence of the effective field theory is demonstrated by regulating the potential and a variation of the associated cutoff.

  9. Pair interaction energy for a 12-electron 2D square Quantum Dot.

    NASA Astrophysics Data System (ADS)

    Nissenbaum, Daniel; Barbiellini, Bernardo; Bansil, Arun

    2004-03-01

    We have investigated a system of 12 electrons enclosed in a 2D square well representing a quantum dot. We employ a Jastrow-type wavefunction with Slater determinants and optimize the Jastrow parameter using the variational Monte Carlo method. We use the Metropolis algorithm to select a large distribution of configuration points and to perform a relatively noiseless calculation of the radial distribution function and to obtain insight into the contrast between the Fermi hole for the same-spin electrons and the Coulomb hole for the opposite-spin electrons. The calculated pair interaction energy provides a handle for constructing a model Hamiltonian useful for the study of spontaneous spin magnetization of the system. Work supported in part by the USDOE.

  10. FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Huang, Jingfang; Jia, Jun; Zhang, Bo

    2009-11-01

    A Fortran program package is introduced for the rapid evaluation of the screened Coulomb interactions of N particles in three dimensions. The method utilizes an adaptive oct-tree structure, and is based on the new version of fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related packages are also available at http://www.fastmultipole.org/. This paper is a brief review of the program and its performance. Catalogue identifier: AEEQ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL 2.0 No. of lines in distributed program, including test data, etc.: 12 385 No. of bytes in distributed program, including test data, etc.: 79 222 Distribution format: tar.gz Programming language: Fortran77 and Fortran90 Computer: Any Operating system: Any RAM: Depends on the number of particles, their distribution, and the adaptive tree structure Classification: 4.8, 4.12 Nature of problem: To evaluate the screened Coulomb potential and force field of N charged particles, and to evaluate a convolution type integral where the Green's function is the fundamental solution of the modified Helmholtz equation. Solution method: An adaptive oct-tree is generated, and a new version of fast multipole method is applied in which the "multipole-to-local" translation operator is diagonalized. Restrictions: Only three and six significant digits accuracy options are provided in this version. Unusual features: Most of the codes are written in

  11. Electrohydrodynamic deformation and interaction of a pair of emulsion drops

    NASA Technical Reports Server (NTRS)

    Baygents, James C.

    1994-01-01

    The response of a pair of emulsion drops to the imposition of a uniform electric field is examined. The case studied is that of equal-sized drops whose line of centers is parallel to the axis of the applied field. A new boundary integral solution to the governing equations of the leaky dielectric model is developed; the formulation accounts for the electrostatic and hydrodynamic interactions between the drops, as well as their deformations. Numerical calculations show that, after an initial transient during which the drops primarily deform, the pair drift slowly together due to their electrostatic interactions.

  12. Anisotropy of the Coulomb Interaction between Folded Proteins: Consequences for Mesoscopic Aggregation of Lysozyme

    PubMed Central

    Chan, Ho Yin; Lankevich, Vladimir; Vekilov, Peter G.; Lubchenko, Vassiliy

    2012-01-01

    Toward quantitative description of protein aggregation, we develop a computationally efficient method to evaluate the potential of mean force between two folded protein molecules that allows for complete sampling of their mutual orientation. Our model is valid at moderate ionic strengths and accounts for the actual charge distribution on the surface of the molecules, the dielectric discontinuity at the protein-solvent interface, and the possibility of protonation or deprotonation of surface residues induced by the electric field due to the other protein molecule. We apply the model to the protein lysozyme, whose solutions exhibit both mesoscopic clusters of protein-rich liquid and liquid-liquid separation; the former requires that protein form complexes with typical lifetimes of approximately milliseconds. We find the electrostatic repulsion is typically lower than the prediction of the Derjaguin-Landau-Verwey-Overbeek theory. The Coulomb interaction in the lowest-energy docking configuration is nonrepulsive, despite the high positive charge on the molecules. Typical docking configurations barely involve protonation or deprotonation of surface residues. The obtained potential of mean force between folded lysozyme molecules is consistent with the location of the liquid-liquid coexistence, but produces dimers that are too short-lived for clusters to exist, suggesting lysozyme undergoes conformational changes during cluster formation. PMID:22768950

  13. IMPORTANCE OF FULL COULOMB INTERACTIONS FOR UNDERSTANDING THE ELECTRONIC STRUCTURE OF DELTA-Pu

    SciTech Connect

    Gorelov, E; Kolorenc, J; Wehling, T; Hafermann, H; Lichtenstein, A I; Shick, A B; Rubtsov, A N; Katsnelson, M I; Landa, A; McMahan, A K

    2010-04-01

    The solid-state properties of most elements are now well understood on the basis of quantum physics - with few exceptions, notably the element number 94, plutonium. Plutonium has six crystalline phases at ambient pressure, some of which are separated by unusual phase transitions with large discontinuities in volume, exhibit negative thermal expansion coefficients, or form exotic low-symmetry structures. The main challenge to explain these anomalous properties is that the characteristic ingredient of actinides, the 5f electronic states, are in the cross-over regime between the localized and delocalized (itinerant) behaviour in Pu. The early part of the actinide series with the 5f states being itinerant, i.e. part of the metallic bond, culminates with Pu; starting with Am (Z = 95), the 5f states are localized, nonbonding, and resemble the 4f states in lanthanides. Both itinerant and localized regimes are well covered by existing theories, but they cannot be simply interpolated due to the importance of dynamical electron-electron correlations. Here we present accurate quantum Monte Carlo calculations achieving previously inaccessible resolution. Obtained results demonstrate that interplay of the full Coulomb interaction vertex with spin-orbital coupling is crucial for understanding the experimentally observed spectral properties of plutonium near the Fermi level.

  14. Fast Multipole Method for Coulomb Interaction Based on Traceless Totally Symmetric Tensor

    NASA Astrophysics Data System (ADS)

    Huang, He; Li, Rui; Chen, Jie; Luo, Li-Shi; Zhang, He

    2015-04-01

    The fast multipole method (FMM) is widely used to calculate the Coulomb interaction between a huge amount of charged particles. The efficiency of FMM scales with O(N) for N particles with any arbitrary distribution. Hence it is apposite for problems with complicated charge distribution or geometry. Under the same FMM framework, there are different approaches, such as using spherical harmonic functions or Maxwell Cartesian tensors. Here we will present a version using traceless totally symmetric Maxwell Cartesian tensor. The previous Maxwell Cartesian tensor based FMM uses totally symmetric tensor. There are (n + 1)(n + 2) / 2 independent elements in a rank n totally symmetric tensor. However, there are only 2 n + 1 independent elements in a rank n traceless totally symmetric tensor, due to which the efficiency of the traceless version is highly improved compared with the old version, especially when high accuracy is needed and high rank tensors are used. Work supported by the Department of Energy, Laboratory Directed Research and Development Funding, under Contract No. DE-AC05-06OR23177.

  15. Interatomic Coulombic Decay Effects in Theoretical DNA Recombination Systems Involving Protein Interaction Sites

    NASA Astrophysics Data System (ADS)

    Vargas, E. L.; Rivas, D. A.; Duot, A. C.; Hovey, R. T.; Andrianarijaona, V. M.

    2015-03-01

    DNA replication is the basis for all biological reproduction. A strand of DNA will ``unzip'' and bind with a complimentary strand, creating two identical strands. In this study, we are considering how this process is affected by Interatomic Coulombic Decay (ICD), specifically how ICD affects the individual coding proteins' ability to hold together. ICD mainly deals with how the electron returns to its original state after excitation and how this affects its immediate atomic environment, sometimes affecting the connectivity between interaction sites on proteins involved in the DNA coding process. Biological heredity is fundamentally controlled by DNA and its replication therefore it affects every living thing. The small nature of the proteins (within the range of nanometers) makes it a good candidate for research of this scale. Understanding how ICD affects DNA molecules can give us invaluable insight into the human genetic code and the processes behind cell mutations that can lead to cancer. Authors wish to give special thanks to Pacific Union College Student Senate in Angwin, California, for their financial support.

  16. Non-local magnetoelectric effects via Coulomb interaction in TI-FMI heterostructures

    NASA Astrophysics Data System (ADS)

    Rex, Stefan; Nogueira, Flavio S.; Sudbø, Asle

    Magnetic order on the surface of a 3 D topological insulator (TI) has been predicted to evoke a topological magnetoelectric effect (TME) by the breaking of time-reversal invariance. In the TME, an electric field leads to a magnetic polarization in the same direction as the field and vice versa. Here, we consider heterostructures of TI and ferromagnetic insulator (FMI) layers. We show that in the presence of long-range Coulomb interactions the magnetization couples non-locally to the fluctuating electric field (non-local TME) by performing a field-theoretic calculation of the vacuum polarization. In addition, we obtain a Landau-Lifshitz equation for the magnetization dynamics, and find that charged magnetic textures lead to a net magnetization even at a large distance. Such textures can be induced by an external electric field with nonzero in-plane divergence. We apply this effect to a FMI-TI-FMI trilayer heterostructure with two parallel interfaces being well-separated by the bulk TI, where we propose to non-locally control the magnetic texture at one interface by proper gating of the other interface. A preprint can be found at arXiv:1510.04285 Supported by the Norwegian Research Council, Grants 205591/V20 and 216700/F20, and the Collaborative Research Center SFB 1143 ''Correlated Magnetism: From Frustration to Topology''.

  17. Protein solvation from theory and simulation: Exact treatment of Coulomb interactions in three-dimensional theories

    NASA Astrophysics Data System (ADS)

    Perkyns, John S.; Lynch, Gillian C.; Howard, Jesse J.; Pettitt, B. Montgomery

    2010-02-01

    Solvation forces dominate protein structure and dynamics. Integral equation theories allow a rapid and accurate evaluation of the effect of solvent around a complex solute, without the sampling issues associated with simulations of explicit solvent molecules. Advances in integral equation theories make it possible to calculate the angle dependent average solvent structure around an irregular molecular solution. We consider two methodological problems here: the treatment of long-ranged forces without the use of artificial periodicity or truncations and the effect of closures. We derive a method for calculating the long-ranged Coulomb interaction contributions to three-dimensional distribution functions involving only a rewriting of the system of integral equations and introducing no new formal approximations. We show the comparison of the exact forms with those implied by the supercell method. The supercell method is shown to be a good approximation for neutral solutes whereas the new method does not exhibit the known problems of the supercell method for charged solutes. Our method appears more numerically stable with respect to thermodynamic starting state. We also compare closures including the Kovalenko-Hirata closure, the hypernetted-chain (HNC) and an approximate three-dimensional bridge function combined with the HNC closure. Comparisons to molecular dynamics results are made for water as well as for the protein solute bovine pancreatic trypsin inhibitor. The proposed equations have less severe approximations and often provide results which compare favorably to molecular dynamics simulation where other methods fail.

  18. Protein solvation from theory and simulation: Exact treatment of Coulomb interactions in three-dimensional theories

    PubMed Central

    Perkyns, John S.; Lynch, Gillian C.; Howard, Jesse J.; Pettitt, B. Montgomery

    2010-01-01

    Solvation forces dominate protein structure and dynamics. Integral equation theories allow a rapid and accurate evaluation of the effect of solvent around a complex solute, without the sampling issues associated with simulations of explicit solvent molecules. Advances in integral equation theories make it possible to calculate the angle dependent average solvent structure around an irregular molecular solution. We consider two methodological problems here: the treatment of long-ranged forces without the use of artificial periodicity or truncations and the effect of closures. We derive a method for calculating the long-ranged Coulomb interaction contributions to three-dimensional distribution functions involving only a rewriting of the system of integral equations and introducing no new formal approximations. We show the comparison of the exact forms with those implied by the supercell method. The supercell method is shown to be a good approximation for neutral solutes whereas the new method does not exhibit the known problems of the supercell method for charged solutes. Our method appears more numerically stable with respect to thermodynamic starting state. We also compare closures including the Kovalenko–Hirata closure, the hypernetted-chain (HNC) and an approximate three-dimensional bridge function combined with the HNC closure. Comparisons to molecular dynamics results are made for water as well as for the protein solute bovine pancreatic trypsin inhibitor. The proposed equations have less severe approximations and often provide results which compare favorably to molecular dynamics simulation where other methods fail. PMID:20151732

  19. Protein Solvation from Theory and Simulation: Exact Treatment of Coulomb Interactions in Three-Dimensional Theories

    SciTech Connect

    Perkyns, John S.; Lynch, Gillian C.; Howard, Jesse J.; Pettitt, Bernard M.

    2010-02-14

    Solvation forces dominate protein structure and dynamics. Integral equation theories allow a rapid and accurate evaluation of the effect of solvent around a complex solute, without the sampling issues associated with simulations of explicit solvent molecules. Advances in integral equation theories make it possible to calculate the angle dependent average solvent structure around an irregular molecular solution. We consider two methodological problems here: the treatment of long-ranged forces without the use of artificial periodicity or truncations and the effect of closures. We derive a method for calculating the long-ranged Coulomb interaction contributions to three-dimensional distribution functions involving only a rewriting of the system of integral equations and introducing no new formal approximations. We show the comparison of the exact forms with those implied by the supercell method. The supercell method is shown to be a good approximation for neutral solutes whereas the new method does not exhibit the known problems of the supercell method for charged solutes. Our method appears more numerically stable with respect to thermodynamic starting state. We also compare closures including the Kovalenko–Hirata closure, the hypernetted-chain _HNC_ and an approximate three-dimensional bridge fu nction combined with the HNC closure. Comparisons to molecular dynamics results are made for water as well as for the protein solute bovine pancreatic trypsin inhibitor. The proposed equations have less severe approximations and often provide results which compare favorably to molecular dynamics simulation where other methods fail.

  20. Non-additivity of pair interactions in charged colloids

    NASA Astrophysics Data System (ADS)

    Finlayson, Samuel D.; Bartlett, Paul

    2016-07-01

    It is general wisdom that the pair potential of charged colloids in a liquid may be closely approximated by a Yukawa interaction, as predicted by the classical Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. We experimentally determine the effective forces in a binary mixture of like-charged particles, of species 1 and 2, with blinking optical tweezers. The measured forces are consistent with a Yukawa pair potential but the (12) cross-interaction is not equal to the geometric mean of the (11) and (22) like-interactions, as expected from DLVO. The deviation is a function of the electrostatic screening length and the size ratio, with the cross-interaction measured being consistently weaker than DLVO predictions. The corresponding non-additivity parameter is negative and grows in magnitude with increased size asymmetry.

  1. Paired and Interacting Galaxies: International Astronomical Union Colloquium No. 124

    NASA Technical Reports Server (NTRS)

    Sulentic, Jack W. (Editor); Keel, William C. (Editor); Telesco, C. M. (Editor)

    1990-01-01

    The proceedings of the International Astronomical Union Colloquium No. 124, held at the University of Alabama at Tuscaloosa, on December 4 to 7, are given. The purpose of the conference was to describe the current state of theoretical and observational knowledge of interacting galaxies, with particular emphasis on galaxies in pairs.

  2. Pseudopotential theory of interacting roton pairs in superfluid 4He

    NASA Astrophysics Data System (ADS)

    Bedell, K.; Pines, D.; Zawadowski, A.

    1984-01-01

    A configuration-space pseudopotential, which is closely related to that used by Aldrich and Pines to describe the effective interaction between background particles in 3He and 4He, is constructed and used to calculate the roton-roton scattering amplitude. From that amplitude we obtain a theory that is completely congruent with the roton-liquid theory of Bedell, Pines, and Fomin. We calculate two-roton bound states, roton-liquid parameters, and roton lifetimes, as well as information about the hybridization of the two-roton bound state with excitations of higher and lower energy. Excellent agreement between theory and experiment is obtained for the l=2 bound state at zero pair momentum, the roton lifetime, the roton contribution to the normal-fluid viscosity and the normal-fluid density, and the temperature variation of the roton energy. The effective roton-roton coupling parameters at large pair momentum are found to be an order of magnitude larger than those for small or vanishing pair momentum. At SVP we find that a substantial number of two-roton bound states of varying symmetry exist for pair momentum up to ~ 3 Å -1; at standard pressure, however the roton-roton interaction for momenta ~ 1 Å -1 is found to become repulsive, so that both the l=2 bound state at zero pair momentum and bound states at intermediate momenta are predicted to disappear under pressure.

  3. Interaction effects on the tunneling of electron-hole pairs in coupled quantum dots

    NASA Astrophysics Data System (ADS)

    Guerrero, Hector M.; Cocoletzi, Gregorio H.; Ulloa, Sergio E.

    2001-03-01

    The transit time of carriers is beginning to be an important parameter in the physical operation of semiconductor quantum dot `devices'. In the present work, we study the coherent propagation of electron-hole pairs in coupled self-assembled quantum dots in close proximity. These systems, achieved experimentally in a number of different geometries, have been recently implemented as a novel storage of optical information that may give rise to smart pixel technology in the near future [1]. Here, we apply an effective mass hamiltonian approach and solve numerically the time dependent Schroedinger equation of a system of photo-created electron-hole pairs in the dots. Our approach takes into account both Coulomb interactions and confinement effects. The time evolution is investigated in terms of the structural parameters for typical InAs-GaAs dots. Different initial conditions are considered, reflecting the basic processes that would take place in these experiments. We study the probabilities of finding the electron and hole in either the same or adjacent quantum dot, and study carefully the role of interactions in this behavior. [1] T. Lundstrom, W. Schoenfeld, H. Lee, and P. M. Petroff, Science 286, 2312 (1999).

  4. Interactional Competence across Proficiency Levels: How Do Learners Manage Interaction in Paired Speaking Tests?

    ERIC Educational Resources Information Center

    Galaczi, Evelina D.

    2014-01-01

    Paired speaking tasks are now commonly used in both pedagogic and assessment contexts, as they elicit a wide range of interactional skills. The current study aims to offer an investigation of the interaction co-constructed by learners at different proficiency levels who are engaged in a paired speaking test, and to provide insights into the…

  5. A flexible algorithm for calculating pair interactions on SIMD architectures

    NASA Astrophysics Data System (ADS)

    Páll, Szilárd; Hess, Berk

    2013-12-01

    Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have traditionally worked well, especially since compilers usually do a good job of unrolling the inner loop. In order to reach high performance on modern CPU and accelerator architectures, single-instruction multiple-data (SIMD) parallelization has become essential. Avoiding memory bottlenecks is also increasingly important and requires reducing the ratio of memory to arithmetic operations. Moreover, when pairs only interact within a certain cut-off distance, good SIMD utilization can only be achieved by reordering input and output data, which quickly becomes a limiting factor. Here we present an algorithm for SIMD parallelization based on grouping a fixed number of particles, e.g. 2, 4, or 8, into spatial clusters. Calculating all interactions between particles in a pair of such clusters improves data reuse compared to the traditional scheme and results in a more efficient SIMD parallelization. Adjusting the cluster size allows the algorithm to map to SIMD units of various widths. This flexibility not only enables fast and efficient implementation on current CPUs and accelerator architectures like GPUs or Intel MIC, but it also makes the algorithm future-proof. We present the algorithm with an application to molecular dynamics simulations, where we can also make use of the effective buffering the method introduces.

  6. Interatomic Coulomb interaction and electron nematic bond order in FeSe

    NASA Astrophysics Data System (ADS)

    Jiang, Kun; Hu, Jiangping; Ding, Hong; Wang, Ziqiang

    2016-03-01

    Despite having the simplest atomic structure, bulk FeSe has an observed electronic structure with the largest deviation from the band theory predictions among all Fe-based superconductors and exhibits a low-temperature nematic electronic state without intervening magnetic order. We show that the Fe-Fe interatomic Coulomb repulsion V offers a natural explanation for the puzzling electron correlation effects in FeSe superconductors. It produces a strongly renormalized low-energy band structure where the van Hove singularity sits remarkably close to Fermi level in the high-temperature electron liquid phase as observed experimentally. This proximity enables the quantum fluctuations in V to induce a rotational symmetry breaking electronic bond order in the d -wave channel. We argue that this emergent low-temperature d -wave bond nematic state, different from the commonly discussed ferro-orbital order and spin nematicity, has been observed recently by several angle-resolved photoemission experiments detecting the lifting of the band degeneracies at high-symmetry points in the Brillouin zone. We present a symmetry analysis of the space group and identify the hidden antiunitary T symmetry that protects the band degeneracy and the electronic order/interaction that can break the symmetry and lift the degeneracy. We show that the d -wave nematic bond order, together with the spin-orbit coupling, provide a unique explanation of the temperature dependence, momentum space anisotropy, and domain effects observed experimentally. We discuss the implications of our findings on the structural transition, the absence of magnetic order, and the intricate competition between nematicity and superconductivity in FeSe superconductors.

  7. Pair interaction of catalytically active colloids: from assembly to escape

    NASA Astrophysics Data System (ADS)

    Sharifi-Mood, Nima; Mozaffari, Ali; Córdova-Figueroa, Ubaldo M.

    2016-07-01

    The dynamics and pair trajectory of two self-propelled colloids are reported. The autonomous motions of the colloids are due to a catalytic chemical reaction taking place asymmetrically on their surfaces that generates a concentration gradient of interactive solutes around the particles and actuate particle propulsion. We consider two spherical particles with symmetric catalytic caps extending over the local polar angles $\\theta^1_{cap}$ and $\\theta^2_{cap}$ from the centers of active sectors in an otherwise quiescent fluid. A combined analytical-numerical technique was developed to solve the coupled mass transfer equation and the hydrodynamics in the Stokes flow regime. The ensuing pair trajectory of the colloids is controlled by the reacting coverages $\\theta^j_{cap}$ and their initial relative orientation with respect to each other. Our analysis indicates two possible scenarios for pair trajectories of catalytic self-propelled particles: either the particles approach, come into contact and assemble or they interact and move away from each other (escape). For arbitrary motions of the colloids, it is found that the direction of particle rotations is the key factor in determining the escape or assembly scenario. Based on the analysis, a phase diagram is sketched for the pair trajectory of the catalytically active particles as a function of active coverages and their initial relative orientations. We believe this study has important implications in elucidation of collective behaviors of auotophoretically self-propelled colloids.

  8. Revision of FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Zhang, Bo; Huang, Jingfang; Pitsianis, Nikos P.; Sun, Xiaobai

    2010-12-01

    FMM-YUKAWA is a mathematical software package primarily for rapid evaluation of the screened Coulomb interactions of N particles in three dimensional space. Since its release, we have revised and re-organized the data structure, software architecture, and user interface, for the purpose of enabling more flexible, broader and easier use of the package. The package and its documentation are available at http://www.fastmultipole.org/, along with a few other closely related mathematical software packages. New version program summaryProgram title: FMM-Yukawa Catalogue identifier: AEEQ_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEQ_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU GPL 2.0 No. of lines in distributed program, including test data, etc.: 78 704 No. of bytes in distributed program, including test data, etc.: 854 265 Distribution format: tar.gz Programming language: FORTRAN 77, FORTRAN 90, and C. Requires gcc and gfortran version 4.4.3 or later Computer: All Operating system: Any Classification: 4.8, 4.12 Catalogue identifier of previous version: AEEQ_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 2331 Does the new version supersede the previous version?: Yes Nature of problem: To evaluate the screened Coulomb potential and force field of N charged particles, and to evaluate a convolution type integral where the Green's function is the fundamental solution of the modified Helmholtz equation. Solution method: The new version of fast multipole method (FMM) that diagonalizes the multipole-to-local translation operator is applied with the tree structure adaptive to sample particle locations. Reasons for new version: To handle much larger particle ensembles, to enable the iterative use of the subroutines in a solver, and to remove potential contention in assignments for parallelization. Summary of revisions: The software package FMM-Yukawa has been

  9. Alignment of H(2p) in collisions of protons and antiprotons with hydrogen atoms with screened Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Jakimovski, Dragan; Janev, Ratko K.

    2016-07-01

    The effects of screened Coulomb interaction on the alignment of H(2p) state produced in collisions of hydrogen atoms with protons and antiprotons are investigated in the energy range 1-200 keV by using the two-center atomic orbital close-coupling (TC-AOCC) method. It is shown that the decrease of the binding energy of hydrogen nl-states and the reduction of the number of bound states with increasing the strength of the screening affect significantly the alignment degree and its energy dependence. In the case of antiproton-H collision the difference between the alignments with screened and unscreened Coulomb potential increases with increasing the strength of the screening in the entire energy range above 2 keV/u, while in the case of proton-H collision it does so only in the energy range 5-25 keV/u.

  10. Atom-Pair Kinetics with Strong Electric-Dipole Interactions

    NASA Astrophysics Data System (ADS)

    Thaicharoen, N.; Gonçalves, L. F.; Raithel, G.

    2016-05-01

    Rydberg-atom ensembles are switched from a weakly to a strongly interacting regime via adiabatic transformation of the atoms from an approximately nonpolar into a highly dipolar quantum state. The resultant electric dipole-dipole forces are probed using a device akin to a field ion microscope. Ion imaging and pair-correlation analysis reveal the kinetics of the interacting atoms. Dumbbell-shaped pair-correlation images demonstrate the anisotropy of the binary dipolar force. The dipolar C3 coefficient, derived from the time dependence of the images, agrees with the value calculated from the permanent electric-dipole moment of the atoms. The results indicate many-body dynamics akin to disorder-induced heating in strongly coupled particle systems.

  11. THE INTERACTING GALAXY PAIR KPG 390: H{alpha} KINEMATICS

    SciTech Connect

    Repetto, P.; Rosado, M.; Gabbasov, R.; Fuentes-Carrera, I.

    2010-04-15

    In this work, we present scanning Fabry-Perot (FP) H{alpha} observations of the isolated interacting galaxy pair NGC 5278/79 obtained with the PUMA FP interferometer. We derived velocity fields and rotation curves for both galaxies. For NGC 5278 we also obtained the residual velocity map to investigate the non-circular motions, and estimated its mass by fitting the rotation curve with disk+halo components. We test three different types of halos (pseudo-isothermal, Hernquist, and Navarro-Frenk-White) and obtain satisfactory fits to the rotation curve for all profiles. The amount of dark matter required by the pseudo-isothermal profile is about 10 times smaller than that for the other two halo distributions. Finally, our kinematical results together with the analysis of dust lane distribution and of surface brightness profiles along the minor axis allowed us to determine univocally that both components of the interacting pair are trailing spirals.

  12. The Interacting Galaxy Pair KPG 390: Hα Kinematics

    NASA Astrophysics Data System (ADS)

    Repetto, P.; Rosado, M.; Gabbasov, R.; Fuentes-Carrera, I.

    2010-04-01

    In this work, we present scanning Fabry-Perot (FP) Hα observations of the isolated interacting galaxy pair NGC 5278/79 obtained with the PUMA FP interferometer. We derived velocity fields and rotation curves for both galaxies. For NGC 5278 we also obtained the residual velocity map to investigate the non-circular motions, and estimated its mass by fitting the rotation curve with disk+halo components. We test three different types of halos (pseudo-isothermal, Hernquist, and Navarro-Frenk-White) and obtain satisfactory fits to the rotation curve for all profiles. The amount of dark matter required by the pseudo-isothermal profile is about 10 times smaller than that for the other two halo distributions. Finally, our kinematical results together with the analysis of dust lane distribution and of surface brightness profiles along the minor axis allowed us to determine univocally that both components of the interacting pair are trailing spirals.

  13. Atom-Pair Kinetics with Strong Electric-Dipole Interactions.

    PubMed

    Thaicharoen, N; Gonçalves, L F; Raithel, G

    2016-05-27

    Rydberg-atom ensembles are switched from a weakly to a strongly interacting regime via adiabatic transformation of the atoms from an approximately nonpolar into a highly dipolar quantum state. The resultant electric dipole-dipole forces are probed using a device akin to a field ion microscope. Ion imaging and pair-correlation analysis reveal the kinetics of the interacting atoms. Dumbbell-shaped pair-correlation images demonstrate the anisotropy of the binary dipolar force. The dipolar C_{3} coefficient, derived from the time dependence of the images, agrees with the value calculated from the permanent electric-dipole moment of the atoms. The results indicate many-body dynamics akin to disorder-induced heating in strongly coupled particle systems. PMID:27284655

  14. Diffusion in Coulomb crystals.

    PubMed

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous. PMID:21867316

  15. Non-separable pairing interaction kernels applied to superconducting cuprates

    NASA Astrophysics Data System (ADS)

    Haley, Stephen B.; Fink, Herman J.

    2014-05-01

    A pairing Hamiltonian H(Γ) with a non-separable interaction kernel Γ produces HTS for relatively weak interactions. The doping and temperature dependence of Γ(x,T) and the chemical potential μ(x) is determined by a probabilistic filling of the electronic states in the cuprate unit cell. A diverse set of HTS and normal state properties is examined, including the SC phase transition boundary TC(x), SC gap Δ(x,T), entropy S(x,T), specific heat C(x,T), and spin susceptibility χs(x,T). Detailed x,T agreement with cuprate experiment is obtained for all properties.

  16. Examining the dynamic interactions on volatilities of paired stock markets

    NASA Astrophysics Data System (ADS)

    Lee, Jun Shean; Sek, Siok Kun

    2015-02-01

    We conduct empirical analyses to investigate the interaction between volatilities of paired stock markets. The main objective of this study is to reveal possibility of spillover effects among stock markets which can determine the performances of stock returns and trade volumes of stocks. In particular, we seek to investigate if there exist two-way causal relationships on the volatilities in two stock markets in two groups of countries, i.e. between emerging markets of ASEAN-5 and between emerging and advanced countries. Our study is focused in Malaysia stock market and the paired relationship with its neighbouring countries (ASEAN5) and advanced countries (Japan and U.S.) respectively. The multivariate GARCH(1,1) model is applied in studying the interactions on the volatilities of paired stock markets. The results are compared between neighbouring countries and with that of advanced countries. The results are expected to reveal linkages between volatilities of stock markets and the dynamic relationships across markets. The results provide useful information in studying the performances of stock markets and predicting the stock movements by incorporating the external impacts from foreign stock markets.

  17. Ordered phases in the Holstein-Hubbard model: Interplay of strong Coulomb interaction and electron-phonon coupling

    NASA Astrophysics Data System (ADS)

    Murakami, Yuta; Werner, Philipp; Tsuji, Naoto; Aoki, Hideo

    2013-09-01

    We study the Holstein-Hubbard model at half filling to explore ordered phases including superconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are strong (comparable to the electronic bandwidth). The model is solved in the dynamical mean-field approximation with a continuous-time quantum Monte Carlo impurity solver. We determine the superconducting transition temperature Tc and the SC order parameter and show that the phonon-induced retardation or the strong Coulomb interaction leads to a significant reduction and shift of the Tc dome against the effective electron-electron interaction Ueff given by the Hubbard U reduced by the phonon-mediated attraction in the static limit. This behavior is analyzed by comparison to an effective static model in the polaron representation with a renormalized bandwidth. In addition, we discuss the superconducting gap Δ and 2Δ/Tc to reveal the effect of the retardation and the Coulomb interaction. We also determine the finite-temperature phase diagram including AF and CO. In the moderate-coupling regime, there is a hysteretic region of AF and CO around Ueff=0, while the two phases are separated by a paramagnetic metal in the weak-coupling regime and a paramagnetic insulator in the strong-coupling regime.

  18. The effect of Coulomb interactions on thermoelectric properties of quantum dots

    SciTech Connect

    Zimbovskaya, Natalya A.

    2014-03-14

    Thermoelectric effects in a quantum dot coupled to the source and drain charge reservoirs are explored using a nonequilibrium Green's functions formalism beyond the Hartree-Fock approximation. Thermal transport is analyzed within a linear response regime. A transition from Coulomb blockade regime to Kondo regime in thermoelectric transport through a single-level quantum dot is traced using unified approximations for the relevant Green's functions.

  19. Interaction between graphene and metamaterials: split rings vs. wire pairs

    SciTech Connect

    Zou, Yanhong; Tassin, Philippe; Koschny, Thomas; Soukoulis, Costas

    2012-05-14

    We have recently shown that graphene is unsuitable to replace metals in the current-carrying elements of metamaterials. At the other hand, experiments have demonstrated that a layer of graphene can modify the optical response of a metal-based metamaterial. Here we study this electromagnetic interaction between metamaterials and graphene. We show that the weak optical response of graphene can be modified dramatically by coupling to the strong resonant fields in metallic structures. A crucial element determining the interaction strength is the orientation of the resonant fields. If the resonant electric field is predominantly parallel to the graphene sheet (e.g., in a complementary split-ring metamaterial), the metamaterial’s resonance can be strongly damped. If the resonant field is predominantly perpendicular to the graphene sheet (e.g., in a wire-pair metamaterial), no significant interaction exists.

  20. Screened Coulomb interactions in metallic alloys. II. Screening beyond the single-site and atomic-sphere approximations

    NASA Astrophysics Data System (ADS)

    Ruban, A. V.; Simak, S. I.; Korzhavyi, P. A.; Skriver, H. L.

    2002-06-01

    A quantitative description of the configurational part of the total energy of metallic alloys with substantial atomic size difference cannot be achieved in the atomic-sphere approximation: It needs to be corrected at least for the multipole-moment interactions in the Madelung part of the one-electron potential and energy. In the case of a random alloy such interactions can be accounted for only by lifting the atomic-sphere and single-site approximations, in order to include the polarization due to local environment effects. Nevertheless, a simple parametrization of the screened Coulomb interactions for the ordinary single-site methods, including the generalized perturbation method, is still possible. We obtained such a parametrization for bulk and surface NiPt alloys, which allows one to obtain quantitatively accurate effective interactions in this system.

  1. Interaction-induced pair hyperpolarizabilities by spherical irreducible tensors

    NASA Astrophysics Data System (ADS)

    Bancewicz, Tadeusz

    1999-10-01

    Starting from the electrostatic part of the intermolecular multipole interaction energy we derived irreducible spherical tensor formulas for the first-order long-range, interaction-induced first and second pair hyperpolarizabilities ΔβLM and ΔγLM for arbitrary shape monomers. For atoms a general relation is obtained for the dipolei-2k-pole hyperpolarizability tensor Z(i+k) of arbitrary order, between its irreducible spherical components Z00[((((11)a11)a2…)ai-21)kk] and the Cartesian counterpart Zzz…z(i+k). For isotropic systems the expressions for Δβzzz and Δγzzzz are in full agreement with the Cartesian tensor results of Buckingham, Concannon and Hands [J. Phys. Chem. 98, 10455 (1994)] and Li et al. [J. Chem. Phys. 105, 10954 (1996)]. Our irreducible spherical tensor results for ΔβLM and ΔγLM are very desirable when dealing with molecular rotations, e.g., in spectral line shape calculations of interaction-induced hyper-Rayleigh and/or hyper-Raman light scattering. Finally we show how our spherical tensor formula for ΔβLM can be used for calculation of, one molecule forbidden, hyper-Rayleigh and hyper-Raman (A1 vibration) pair hyperpolarizability Δβzzz for molecules of octahedral symmetry Oh.

  2. Bound states for a Coulomb-type potential induced by the interaction between a moving electric quadrupole moment and a magnetic field

    SciTech Connect

    Bakke, K.

    2014-02-15

    We discuss the arising of bound states solutions of the Schrödinger equation due to the presence of a Coulomb-type potential induced by the interaction between a moving electric quadrupole moment and a magnetic field. Furthermore, we study the influence of the Coulomb-type potential on the harmonic oscillator by showing a quantum effect characterized by the dependence of the angular frequency on the quantum numbers of the system, whose meaning is that not all values of the angular frequency are allowed. -- Highlights: • Interaction between a moving electric quadrupole moment and a magnetic field. • Arising of bound states solutions due to the presence of a Coulomb-type potential. • Influence of the Coulomb-type potential on the harmonic oscillator. • Dependence of the angular frequency on the quantum numbers of the system.

  3. Spin-orbit interaction in bremsstrahlung and its effect on the electron motion in a strong Coulomb field

    NASA Astrophysics Data System (ADS)

    Kovtun, Oleksiy; Tioukine, Valeri; Surzhykov, Andrey; Yerokhin, Vladimir A.; Cederwall, Bo; Tashenov, Stanislav

    2015-12-01

    Linear polarization of bremsstrahlung x rays produced in collisions of longitudinally polarized 2.1-MeV electrons with gold atoms was studied using the Compton scattering technique. We observed that the angle of x-ray polarization is strongly correlated with the incoming electron polarization. This correlation reveals the dominance of the spin-orbit interaction in bremsstrahlung and indicates a striking effect of the electron spin on the electron motion in a strong Coulomb field. The results confirm the validity of the theoretical predictions in a computationally challenging energy regime.

  4. Spatial Patterns in Rydberg Excitations from Logarithmic Pair Interactions.

    PubMed

    Lechner, Wolfgang; Zoller, Peter

    2015-09-18

    The collective excitations in ensembles of dissipative, laser driven ultracold atoms exhibit crystal-like patterns, a many-body effect of the Rydberg blockade mechanism. These crystalline structures are revealed in an experiment from a postselection of configurations with fixed numbers of excitations. Here, we show that these subensembles can be well represented by ensembles of effective particles that interact via logarithmic pair potentials. This allows one to study the emergent patterns with a small number of effective particles to determine the phases of Rydberg crystals and to systematically study contributions from N-body terms. PMID:26430998

  5. Equilibrium cluster fluids: pair interactions via inverse design.

    PubMed

    Jadrich, R B; Bollinger, J A; Lindquist, B A; Truskett, T M

    2015-12-28

    Inverse methods of statistical mechanics are becoming productive tools in the design of materials with specific microstructures or properties. While initial studies have focused on solid-state design targets (e.g., assembly of colloidal superlattices), one can alternatively design fluid states with desired morphologies. This work addresses the latter and demonstrates how a simple iterative Boltzmann inversion strategy can be used to determine the isotropic pair potential that reproduces the radial distribution function of a fluid of amorphous clusters with prescribed size. The inverse designed pair potential of this "ideal" cluster fluid, with its broad attractive well and narrow repulsive barrier at larger separations, is qualitatively different from the so-called SALR form most commonly associated with equilibrium cluster formation in colloids, which features short-range attractive (SA) and long-range repulsive (LR) contributions. These differences reflect alternative mechanisms for promoting cluster formation with an isotropic pair potential, and they in turn produce structured fluids with qualitatively different static and dynamic properties. Specifically, equilibrium simulations show that the amorphous clusters resulting from the inverse designed potentials display more uniformity in size and shape, and they also show greater spatial and temporal resolution than those resulting from SALR interactions. PMID:26434352

  6. Strong Interactions of Photon Pairs in Cavity QED

    NASA Astrophysics Data System (ADS)

    Kimble, H. J.

    2008-05-01

    The charge and spin degrees of freedom of massive particles have relatively large long-range interactions, which enable nonlinear coupling between pairs of atoms, ions, electrons, and diverse quasi-particles. By contrast, photons have vanishingly small cross-sections for direct coupling. Instead, photon interactions must be mediated by a material system. Even then,typical materials produce photon-photon couplings that are orders of magnitude too small for nontrivial dynamics with individual photon pairs. The leading exception to this state of affairs is cavity quantum electrodynamics (cQED), where strong interactions between light and matter at the single-photon level have enabled a wide set of scientific advances [1]. My presentation will describe two experiments in the Caltech Quantum Optics Group where strong interactions of photon pairs have been observed. The work in Ref. [2] provided the initial realization of photon blockade for an atomic system by using a Fabry-Perot cavity containing one atom strongly coupled to the cavity field. The underlying blockade mechanism was the quantum anharmonicity of the ladder of energy levels for the composite atom-cavity system. Beyond this structural effect, a new % dynamical mechanism was identified in Ref. [3] for which photon transport is regulated by the conditional state of one intracavity atom, leading to an efficient mechanism that is insensitive to many experimental imperfections and which achieves high efficiency for single-photon transport. The experiment utilized the interaction of an atom with the fields of a microtoroidal resonator [4]. Regulation was achieved by way of an interference effect involving the directly transmitted optical field, the intracavity field in the absence of the atom, and the polarization field radiated by the atom, with the requisite nonlinearity provided by the quantum character of the emission from one atom.[1] R. Miller, T. E. Northup, K. M. Birnbaum, A. Boca, A. D. Boozer, and H. J

  7. The effect of Coulomb interactions on nonlinear thermovoltage and thermocurrent in quantum dots

    NASA Astrophysics Data System (ADS)

    Zimbovskaya, Natalya A.

    2015-06-01

    In the present work, we theoretically study the nonlinear regime of charge transport through a quantum dot coupled to the source and drain reservoirs. The investigation is carried out using a nonequilibrium Green's function formalism beyond the Hartree-Fock approximation. Employed approximations for the relevant Green's functions allow to trace a transition from Coulomb blockade regime to Kondo regime in the thermoelectric transport. Effects arising when electrons move in response to thermal gradient applied across the system are discussed, including experimentally observed thermovoltage zeros.

  8. Electronic transport through a Majorana bound state coupled to a T-shaped quantum-dot system with Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Huo, Dong-Ming

    2016-07-01

    Using the Green's function technique, we respectively investigate the electron transport properties of two spin components through the system of a T-shaped double quantum dot structure coupled to a Majorana bound state, in which only one quantum dot is connected with two metallic leads. We explore the interplay between the Fano effect and the MBSs for different dot-MBS coupling strength λ, dot-dot coupling strength t, and MBS-MBS coupling strength ɛM in the noninteracting case. Then the Coulomb interaction and magnetic field effect on the conductance spectra are investigated. Our results indicate that G↓(ω) is not affected by the Majorana bound states, but a "0.5" conductance signature occurs in the vicinities of Fermi level of G↑(ω). This robust property persists for a wide range of dot-dot coupling strength and dot-MBS coupling strength, but it can be destroyed by Coulomb interaction in quantum dots. By adjusting the size and direction of magnetic field around the quantum dots, the "0.5" conductance signature damaged by U can be restored. At last, the spin magnetic moments of two dots by applying external magnetic field are also predicted.

  9. Effect of Coulomb interaction on time of flight of cold antiprotons launched from an ion trap

    NASA Technical Reports Server (NTRS)

    Camp, J. B.; Witteborn, F. C.

    1993-01-01

    Time-of-flight spectra for Maxwell-Boltzman (MB) distributions of antiprotons initially held in an ion trap and detected after being launched through a 50-cm-long shielding drift tube have been calculated. The distributions used are of temperature 0.4-40 K, cubic length 0.003-3.0 cm, and number 10-100 particles. The mutual Coulomb repulsion of the particles causes a reduction in the number of late arrival particles expected from the MB velocity distribution. The Coulomb energy is not equally divided among the particles during the expansion. The energy is transferred preferentially to the outer particles so that the reduction in the number of slow particles is not necessarily large. The reduction factor is found to be greater than unity when the potential energy of the trapped ions is greater than about 5 percent of the ions' kinetic energy and is about 2 for the launch parameters of the Los Alamos antiproton gravity experiment.

  10. Repulsive interactions in quantum Hall systems as a pairing problem

    NASA Astrophysics Data System (ADS)

    Ortiz, G.; Nussinov, Z.; Dukelsky, J.; Seidel, A.

    2013-10-01

    A subtle relation between quantum Hall physics and the phenomenon of pairing is unveiled. By use of second quantization, we establish a connection between (i) a broad class of rotationally symmetric two-body interactions within the lowest Landau level and (ii) integrable hyperbolic Richardson-Gaudin-type Hamiltonians that arise in (px+ipy) superconductivity. Specifically, we show that general Haldane pseudopotentials (and their sums) can be expressed as a sum of repulsive noncommuting (px+ipy)-type pairing Hamiltonians. The determination of the spectrum and individual null spaces of each of these noncommuting Richardson-Gaudin-type Hamiltonians is nontrivial yet is Bethe ansatz solvable. For the Laughlin sequence, it is observed that this problem is frustration free and zero-energy ground states lie in the common null space of all of these noncommuting Hamiltonians. This property allows for the use of a new truncated basis of pairing configurations in which to express Laughlin states at general filling factors. We prove separability of arbitrary Haldane pseudopotentials, providing explicit expressions for their second quantized forms, and further show by explicit construction how to exploit the topological equivalence between different geometries (disk, cylinder, and sphere) sharing the same topological genus number, in the second quantized formalism, through similarity transformations. As an application of the second quantized approach, we establish a “squeezing principle” that applies to the zero modes of a general class of Hamiltonians, which includes but is not limited to Haldane pseudopotentials. We also show how one may establish (bounds on) “incompressible filling factors” for those Hamiltonians. By invoking properties of symmetric polynomials, we provide explicit second quantized quasihole generators; the generators that we find directly relate to bosonic chiral edge modes and further make aspects of dimensional reduction in the quantum Hall systems

  11. Enhanced superconducting pairing interaction in indium-doped tin telluride

    SciTech Connect

    Erickson, A.S.; Chu, J.-H.; Toney, M.F.; Geballe, T.H.; Fisher, I.R.; /SLAC, SSRL /Stanford U., Appl. Phys. Dept. /Stanford U., Geballe Lab.

    2010-02-15

    The ferroelectric degenerate semiconductor Sn{sub 1-{delta}}Te exhibits superconductivity with critical temperatures, T{sub c}, of up to 0.3 K for hole densities of order 10{sup 21} cm{sup -3}. When doped on the tin site with greater than x{sub c} = 1.7(3)% indium atoms, however, superconductivity is observed up to 2 K, though the carrier density does not change significantly. We present specific heat data showing that a stronger pairing interaction is present for x > x{sub c} than for x < x{sub c}. By examining the effect of In dopant atoms on both T{sub c} and the temperature of the ferroelectric structural phase transition, T{sub SPT}, we show that phonon modes related to this transition are not responsible for this T{sub c} enhancement, and discuss a plausible candidate based on the unique properties of the indium impurities.

  12. Enhanced superconducting pairing interaction in indium-doped tin telluride

    SciTech Connect

    Erickson, A.S.

    2010-05-03

    The ferroelectric degenerate semiconductor Sn{sub 1-{delta}}Te exhibits superconductivity with critical temperatures, T{sub c}, of up to 0.3 K for hole densities of order 10{sup 21} cm{sup -3}. When doped on the tin site with greater than x{sub c} = 1.7(3)% indium atoms, however, superconductivity is observed up to 2 K, though the carrier density does not change significantly. We present specific heat data showing that a stronger pairing interaction is present for x > x{sub c} than for x < x{sub c}. By examining the effect of In dopant atoms on both T{sub c} and the temperature of the ferroelectric structural phase transition, T{sub SPT}, we show that phonon modes related to this transition are not responsible for this T{sub c} enhancement, and discuss a plausible candidate based on the unique properties of the indium impurities.

  13. Dynamics and thermodynamics of a pair of interacting magnetic dipoles

    NASA Astrophysics Data System (ADS)

    Schmidt, Heinz-Jürgen; Schröder, Christian; Hägele, Eva; Luban, Marshall

    2015-05-01

    We consider the dynamics and thermodynamics of a pair of magnetic dipoles interacting via their magnetic fields. We consider only the ‘spin’ degrees of freedom; the dipoles are fixed in space. With this restriction it is possible to provide the general solution of the equations of motion in analytical form. Thermodynamic quantities, such as the specific heat and the zero field susceptibility are calculated analytically or by combining low temperature asymptotic series and a complete high temperature expansion. The thermal expectation value of the autocorrelation function is determined for the low temperature regime and short times including terms linear in T. Furthermore, we have performed Monte Carlo simulations for the system under consideration and compared our analytical results with these.

  14. Lone-pair interactions and photodissociation of compressed nitrogen trifluoride

    SciTech Connect

    Kurzydłowski, D.; Wang, H. B.; Eremets, M. I.; Troyan, I. A.

    2014-08-14

    High-pressure behavior of nitrogen trifluoride (NF{sub 3}) was investigated by Raman and IR spectroscopy at pressures up to 55 GPa and room temperature, as well as by periodic calculations up to 100 GPa. Experimentally, we find three solid-solid phase transitions at 9, 18, and 39.5 GPa. Vibrational spectroscopy indicates that in all observed phases NF{sub 3} remains in the molecular form, in contrast to the behavior of compressed ammonia. This finding is confirmed by density functional theory calculations, which also indicate that the phase transitions of compressed NF{sub 3} are governed by the interplay between lone‑pair interactions and efficient molecule packing. Although nitrogen trifluoride is molecular in the whole pressure range studied, we show that it can be photodissociated by mid-IR laser radiation. This finding paves the way for the use of NF{sub 3} as an oxidizing and fluorinating agent in high-pressure reactions.

  15. Charge transport in charge-ordered layered crystals θ-(BEDT-TTF)2MZn(SCN)4 (M=Cs,Rb) : Effects of long-range Coulomb interaction and the Pauli exclusion principle

    NASA Astrophysics Data System (ADS)

    Takahide, Yamaguchi; Kimata, Motoi; Hazama, Kaori; Terashima, Taichi; Uji, Shinya; Konoike, Takako; Yamamoto, Hiroshi M.

    2010-06-01

    We have measured the current-voltage (I-V) characteristics, dielectric properties, and magnetoresistances of insulating layered organic crystals θ-(BEDT-TTF)2MZn(SCN)4 (M=Cs,Rb) , in which electron-electron Coulomb interactions are considered to induce charge ordering. The in-plane I-V characteristics follow the power law with a large exponent that exceeds 10 in the low-temperature limit. The nonlinear I-V characteristics are attributed to electric field induced unbinding of pairs of an electron and a hole that are thermally excited and attracted to each other due to two-dimensional long-range Coulomb interaction. The temperature and frequency dependences of the in-plane dielectric constant for M=Cs are explained by the polarization of the electron-hole bound pairs, consistently with the I-V characteristics. The large dielectric anisotropy ( ≈100 at 0.6 K) observed for M=Cs suggests two-dimensional long-range Coulomb interaction, which is also consistent with the explanation of the nonlinear I-V curves. The organic crystals have a large positive magnetoresistance ratio, e.g., ≈10000% for M=Cs in a magnetic field of 10 T at 0.1 K. The magnetoresistance is nearly independent of the magnetic field orientation despite the highly two-dimensional charge transport, indicating that it is electron-spin related. The magnetoresistance may be caused by magnetic field induced parallel alignment of spins of mobile and localized electrons, both in the highest occupied molecular orbital of a BEDT-TTF molecule, and by the resulting suppression of conduction due to the Pauli exclusion principle.

  16. Modeling the initial conditions of interacting galaxy pairs using Identikit

    NASA Astrophysics Data System (ADS)

    Mortazavi, S. Alireza; Lotz, Jennifer M.; Barnes, Joshua E.; Snyder, Gregory F.

    2016-01-01

    We develop and test an automated technique to model the dynamics of interacting galaxy pairs. We use Identikit as a tool for modelling and matching the morphology and kinematics of the interacting pairs of equal-mass galaxies. In order to reduce the effect of subjective human judgement, we automate the selection of phase space regions used to match simulations to data, and we explore how selection of these regions affects the random uncertainties of parameters in the best-fitting model. In this work, we use an independent set of GADGET SPH simulations as input data to determine the systematic bias in the measured encounter parameters based on the known initial conditions of these simulations. We test both cold gas and young stellar components in the GADGET simulations to explore the effect of choosing H I versus H α as the line-of-sight velocity tracer. We find that we can group the results into tests with good, fair, and poor convergence based on the distribution of parameters of models close to the best-fitting model. For tests with good and fair convergence, we rule out large fractions of parameter space and recover merger stage, eccentricity, pericentric distance, viewing angle, and initial disc orientations within 3σ of the correct value. All of tests on prograde-prograde systems have either good or fair convergence. The results of tests on edge-on discs are less biased than face-on tests. Retrograde and polar systems do not converge and may require constraints from regions other than the tidal tails and bridges.

  17. Thermoelectric transport through a zigzag like chain: Influence of the chain length, the interdot tunneling and the intradot Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Li, Rui-Xue; Ni, Yun; Li, Hai-Dong; Tian, Xing-Ling; Yao, Kai-Lun; Fu, Hua-Hua

    2016-07-01

    We have studied the thermoelectric transport through a zigzaglike chain in the linear response regime using the non-equilibrium Green's function method. This model consists of the main zigzaglike chain and the side radicals coupled with the main chain at the next-near-neighbor sites. The finite-scale effect on the thermoelectric properties has been studied, our results show that thermoelectric efficiency can be enhanced by increasing the chain length. The thermopower and the figure of merit can be enhanced by strengthening the interdot tunneling coupling between the main chain and the side radicals. However, increase of the interdot tunneling coupling in the main chain can weaken the thermoelectric efficiency. Moreover, the thermoelectric efficiency is also strongly dependent on the intradot Coulomb interaction. These results can provide a guidance for the synthesis of thermal devices with high thermoelectric efficiency.

  18. Interacting in Pairs in a Test of Oral Proficiency: Co-Constructing a Better Performance

    ERIC Educational Resources Information Center

    Brooks, Lindsay

    2009-01-01

    This study, framed within sociocultural theory, examines the interaction of adult ESL test-takers in two tests of oral proficiency: one in which they interacted with an examiner (the individual format) and one in which they interacted with another student (the paired format). The data for the eight pairs in this study were drawn from a larger…

  19. The Coulombic Lattice Potential of Ionic Compounds: The Cubic Perovskites.

    ERIC Educational Resources Information Center

    Francisco, E.; And Others

    1988-01-01

    Presents coulombic models representing the particles of a system by point charges interacting through Coulomb's law to explain coulombic lattice potential. Uses rubidium manganese trifluoride as an example of cubic perovskite structure. Discusses the effects on cluster properties. (CW)

  20. A comparison of Coulombic interaction methods in non-equilibrium studies of heat transfer in water

    NASA Astrophysics Data System (ADS)

    Muscatello, Jordan; Bresme, Fernando

    2011-12-01

    We investigate the impact of the treatment of electrostatic interactions on the heat conduction of liquid water. With this purpose, we report a series of non-equilibrium molecular dynamics computer simulations of the Modified Central Force Model of water. We consider both the Ewald summation approach, which includes the full range of the electrostatic interactions, and the Wolf method, which uses a cutoff to truncate the long range contributions. It is shown that the relaxation of the temperature profiles towards the stationary state solution and the equation of state of the liquid are not affected by the treatment of the electrostatic interactions. However, the truncation of the interactions results in lower internal energy fluxes as well as lower thermal conductivities. We also find that the anomalous increase of the thermal conductivity of water with temperature is reproduced by the different methods considered in this work, showing that this physical behavior is independent of the treatment of the long range electrostatic interactions.

  1. Coulomb Damping

    ERIC Educational Resources Information Center

    Fay, Temple H.

    2012-01-01

    Viscous damping is commonly discussed in beginning differential equations and physics texts but dry friction or Coulomb friction is not despite dry friction being encountered in many physical applications. One reason for avoiding this topic is that the equations involve a jump discontinuity in the damping term. In this article, we adopt an energy…

  2. Electron-hydrogen-atom elastic and inelastic scattering with screened Coulomb interaction around the n=2 excitation threshold

    SciTech Connect

    Zhang Songbin; Wang Jianguo; Janev, R. K.

    2010-03-15

    The effects of Coulomb interaction screening on electron-hydrogen-atom elastic and excitation scattering around the n=2 threshold have been investigated by using the R-matrix method with pseudostates. The elastic and excitation collision strengths show dramatic changes when the interaction screening length D varies from {infinity} to 3.8 a.u., as a result of the convergence of {sup 1,3}S Feshbach resonances to the varying 2s threshold and of the transformation of {sup 1,3}P and {sup 1}D Feshbach resonances into shape-type resonances when they pass across the 2s and 2p threshold at certain critical value of D, respectively [S. B. Zhang et al., Phys. Rev. Lett. 104, 023203 (2010)]. The resonance parameters for a large number of D in the range D={infinity}-3.8 a.u. are presented. It is observed that the {sup 1,3}P and {sup 1}D resonance contributions to the elastic and excitation collision strengths decrease rapidly with decreasing D after the resonance passes the critical D value. The contribution of a {sup 1}S{sup e} Feshbach resonance to the elastic or excitation collision strength changes into a cusp after the resonance merges into its parent 2s state and immerses into the background with the further decrease of D.

  3. 3d-4f magnetic interaction with density functional theory plus u approach: local Coulomb correlation and exchange pathways.

    PubMed

    Zhang, Yachao; Yang, Yang; Jiang, Hong

    2013-12-12

    The 3d-4f exchange interaction plays an important role in many lanthanide based molecular magnetic materials such as single-molecule magnets and magnetic refrigerants. In this work, we study the 3d-4f magnetic exchange interactions in a series of Cu(II)-Gd(III) (3d(9)-4f(7)) dinuclear complexes based on the numerical atomic basis-norm-conserving pseudopotential method and density functional theory plus the Hubbard U correction approach (DFT+U). We obtain improved description of the 4f electrons by including the semicore 5s5p states in the valence part of the Gd-pseudopotential. The Hubbard U correction is employed to treat the strongly correlated Cu-3d and Gd-4f electrons, which significantly improve the agreement of the predicted exchange constants, J, with experiment, indicating the importance of accurate description of the local Coulomb correlation. The high efficiency of the DFT+U approach enables us to perform calculations with molecular crystals, which in general improve the agreement between theory and experiment, achieving a mean absolute error smaller than 2 cm(-1). In addition, through analyzing the physical effects of U, we identify two magnetic exchange pathways. One is ferromagnetic and involves an interaction between the Cu-3d, O-2p (bridge ligand), and the majority-spin Gd-5d orbitals. The other one is antiferromagnetic and involves Cu-3d, O-2p, and the empty minority-spin Gd-4f orbitals, which is suppressed by the planar Cu-O-O-Gd structure. This study demonstrates the accuracy of the DFT+U method for evaluating the 3d-4f exchange interactions, provides a better understanding of the exchange mechanism in the Cu(II)-Gd(III) complexes, and paves the way for exploiting the magnetic properties of the 3d-4f compounds containing lanthanides other than Gd. PMID:24274078

  4. Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model

    NASA Astrophysics Data System (ADS)

    Lee, Hunpyo; Jeschke, Harald O.; Valentí, Roser

    2016-06-01

    We have studied a disordered Nc×Nc plaquette Hubbard model on a two-dimensional square lattice at half-filling using a coherent potential approximation (CPA) in combination with a single-site dynamical mean field theory (DMFT) approach with a paramagnetic bath. Such a model conveniently interpolates between the ionic Hubbard model at Nc=√{2 } and the Anderson model at Nc=∞ and enables the analysis of the various limiting properties. We confirmed that within the CPA approach a band insulator behavior appears for noninteracting strongly disordered systems with a small plaquette size Nc=4 , while the paramagnetic Anderson insulator with nearly gapless density of states is present for large plaquette sizes Nc=48 . When the interaction U is turned on in the strongly fluctuating random potential regions, the electrons on the low energy states push each other into high energy states in DMFT in a paramagnetic bath and correlated metallic states with a quasiparticle peak and Hubbard bands emerge, though a larger critical interaction U is needed to obtain this state from the paramagnetic Anderson insulator (Nc=48 ) than from the band insulator (Nc=4 ). Finally, we observe a Mott insulator behavior in the strong interaction U regions for both Nc=4 and Nc=48 independent of the disorder strength. We discuss the application of this model to real materials.

  5. The Importance of Discourse Style in Pairing Students for Interactive Communicative Tasks.

    ERIC Educational Resources Information Center

    Spelman, Mary

    A study analyzed the discourse of four pairs of students participating in dyadic interactive communicative tasks (ICTs) to discover if and how their discourse styles influenced the dynamics of interaction. Students were paired according to their teacher's evaluation of their discourse style as active or non-active, and were designated sender or…

  6. Phase stability of Fe and Mn within density-functional theory plus on-site Coulomb interaction approaches

    NASA Astrophysics Data System (ADS)

    Stojić, N. L.; Binggeli, N. L.

    Approaches based on the density-functional theory and including the on-site Coulomb interaction U have been extensively used to describe strongly correlated systems. Moreover, it has been shown that even in the case of moderate correlations, present for example in some of the 3d transition metals, this and similar methods can improve upon the local-density and generalized-gradient approximation (LDA and GGA) results. We investigate, by means of the LDA+U and GGA+U approaches, the phase stability of Fe and Mn, for which it is known that the LDA predicts a wrong ground state. In particular, we compare two different double-counting corrections, the so called "fully-localized limit" (FLL) and "around mean-field" (AMF). We find that the LDA and the LDA+UAMF do not yield the correct ground state, while the LDA+UFLL, GGA+UAMF and GGA+UFLL for specific ranges of effective U values, typically around 1 eV, give the correct phase stability, and in general, an improved description of the equilibrium volume and magnetic moment, compared to the GGA values.

  7. Effective on-site Coulomb interaction and electron configurations in transition-metal complexes from constraint density functional theory

    NASA Astrophysics Data System (ADS)

    Nawa, Kenji; Nakamura, Kohji; Akiyama, Toru; Ito, Tomonori; Weinert, Michael

    Effective on-site Coulomb interactions (Ueff) and electron configurations in the localized d and f orbitals of metal complexes in transition-metal oxides and organometallic molecules, play a key role in the first-principles search for the true ground-state. However, wide ranges of values in the Ueff parameter of a material, even in the same ionic state, are often reported. Here, we revisit this issue from constraint density functional theory (DFT) by using the full-potential linearized augmented plane wave method. The Ueff parameters for prototypical transition-metal oxides, TMO (TM =Mn, Fe, Co, Ni), were calculated by the second derivative of the total energy functional with respect to the d occupation numbers inside the muffin-tin (MT) spheres as a function of the sphere radius. We find that the calculated Ueff values depend significantly on the MT radius, with a variation of more than 3 eV when the MT radius changes from 2.0 to 2.7 a.u., but importantly an identical valence band structure can be produced in all the cases, with an approximate scaling of Ueff. This indicates that a simple transferability of the Ueff value among different calculation methods is not allowed. We further extend the constraint DFT to treat various electron configurations of the localized d-orbitals in organometallic molecules, TMCp2 (TM =Cr, Mn, Fe, Co, Ni), and find that the calculated Ueff values can reproduce the experimentally determined ground-state electron configurations.

  8. Heterogeneous dynamics and stretched exponential decay of spatio-temporal correlations for Coulomb-interacting particles in confined geometries

    NASA Astrophysics Data System (ADS)

    Ghosal, Amit; Ash, Biswarup; Chakrabarti, Jaydeb

    2015-03-01

    We investigate the dynamics of Coulomb-interacting confined particles over a range of temperatures capturing the crossover from a Wigner molecule to a liquid-like phase. Dynamical signatures, derived from the Van-Hove correlations, develop pivotal understanding of the phases as well as the intervening crossover, which are inaccessible from the study of static correlations alone. The motion of the particles shows frustrations, produces heterogeneities depending on the observation time-scales and temperatures and results into a non-Gaussian behavior. The extent and nature of the departure of the behavior of spatio-temporal correlations from the conventional wisdom depends crucially on the symmetry of the confinements. In particular, we find that the decay of correlations follow a stretched-exponential form in traps that lack any symmetry. Our data offers a broad support to a theoretical model that integrates the non-Gaussian behavior arising from the convolution of Gaussian fluctuations weighted by appropriate diffusivities, consistent with local dynamics. The richness of information from the dynamic correlation will be shown to improve the understanding of melting in confined systems in a powerful manner.

  9. On the limit of existence of Borromean binding in three-particle systems with screened Coulomb interactions

    NASA Astrophysics Data System (ADS)

    Pawlak, Mariusz; Bylicki, Mirosław; Mukherjee, Prasanta K.

    2014-05-01

    Molecular-type systems, (m1)±(m2)±(m3)∓, consisting of three particles of masses mi and of unit electric charges with the Coulomb interactions weakened by the Debye screening are considered. Existence and range of Borromean binding in symmetric systems (of masses m1 = m2) is investigated with respect to the masses of their constituents. It is shown that such systems can exist in Borromean ground states if the mass ratio q = m3/m1 is less or equal to 1.668. This improves considerably the lower bound to the limit of existence of the Borromean binding of symmetric systems suggested by Pont and Serra (2009 Phys. Rev. A 79 032508) as q ⩽ 1. Qualitative meaning of the improvement is that the Borromean binding occurs not only for systems where two identical particles are heavier than the third one but it is also possible for systems of the opposite mass relation. The range of screening parameter in which a system is Borromean known as a Borromean window is also determined for μ+μ+e-, π+π+μ-, π+μ-μ- and e+e-e-.

  10. An entropic understanding of Coulomb force

    NASA Astrophysics Data System (ADS)

    Cho, Jin-Ho; Kim, Hyosung

    2012-02-01

    Exploiting Verlinde's proposal on the entropic understanding of Newton's law, we show that Coulomb force could also be understood as an entropically emergent force (rather than as a fundamental force). We apply Kaluza-Klein idea to Verlinde's formalism to obtain Coulomb interaction in the lower dimensions. The kinematics concerning the Kaluza-Klein momenta separates the interaction due to the momentum flow from the gravitational interaction. The momentum-charge conversion relation results in the precise form of Coulomb interaction.

  11. Dirac Hamiltonian and Reissner-Nordström metric: Coulomb interaction in curved space-time

    NASA Astrophysics Data System (ADS)

    Noble, J. H.; Jentschura, U. D.

    2016-03-01

    We investigate the spin-1 /2 relativistic quantum dynamics in the curved space-time generated by a central massive charged object (black hole). This necessitates a study of the coupling of a Dirac particle to the Reissner-Nordström space-time geometry and the simultaneous covariant coupling to the central electrostatic field. The relativistic Dirac Hamiltonian for the Reissner-Nordström geometry is derived. A Foldy-Wouthuysen transformation reveals the presence of gravitational and electrogravitational spin-orbit coupling terms which generalize the Fokker precession terms found for the Dirac-Schwarzschild Hamiltonian, and other electrogravitational correction terms to the potential proportional to αnG , where α is the fine-structure constant and G is the gravitational coupling constant. The particle-antiparticle symmetry found for the Dirac-Schwarzschild geometry (and for other geometries which do not include electromagnetic interactions) is shown to be explicitly broken due to the electrostatic coupling. The resulting spectrum of radially symmetric, electrostatically bound systems (with gravitational corrections) is evaluated for example cases.

  12. A number-projected model with generalized pairing interaction in application to rotating nuclei

    SciTech Connect

    Satula, W. |||; Wyss, R.

    1996-12-31

    A cranked mean-field model that takes into account both T=1 and T=0 pairing interactions is presented. The like-particle pairing interaction is described by means of a standard seniority force. The neutron-proton channel includes simultaneously correlations among particles moving in time reversed orbits (T=1) and identical orbits (T=0). The coupling between different pairing channels and nuclear rotation is taken into account selfconsistently. Approximate number-projection is included by means of the Lipkin-Nogami method. The transitions between different pairing phases are discussed as a function of neutron/proton excess, T{sub z}, and rotational frequency, {Dirac_h}{omega}.

  13. Interactions between pairs of bacteriocins from lactic bacteria.

    PubMed

    Mulet-Powell, N; Lacoste-Armynot, A M; Viñas, M; Simeon de Buochberg, M

    1998-09-01

    Activity of pairs of crude extracts of lactic acid bacteria (LAB) containing different bacteriocins (nisin, pediocin AcH, lacticin 481, lactacin F, and lactacin B) was measured against 10 different indicator strains. Experiments were carried out both in liquid and on solid media. Both synergisms and antagonisms were observed. Lacticin 481 produced mainly antagonistic effects whereas pediocin AcH produced mainly synergistic effects. The use of more than one LAB bacteriocin as a combination biopreservative might be envisaged. PMID:9766080

  14. Coulomb interaction of acceptors in Cd{sub 1−x}Mn{sub x}Te/CdTe quantum dot

    SciTech Connect

    Kalpana, P.; Nithiananthi, P. Jayakumar, K.; Reuben, A. Merwyn Jasper D.

    2014-04-24

    The investigation on the effect of confining potential like isotropic harmonic oscillator type potential on the binding and the Coulomb interaction energy of the double acceptors in the presence of magnetic field in a Cd{sub 1−x}Mn{sub x}Te/CdTe Spherical Quantum Dot has been made for the Mn ion composition x=0.3 and compared with the results obtained from the square well type potential using variational procedure in the effective mass approximation.

  15. A Monte Carlo simulation of Coulomb collisions and wave-particle interactions in space plasma at high latitudes

    NASA Astrophysics Data System (ADS)

    Barghouthi, Imad Ahmad

    In study 1, a Monte Carlo simulation was used to investigate the behavior of O(+) ions that are E x B-drifting through a background of neutral O, with the effect of O(+) (Coulomb) self-collisions included. Wide ranges of the ion-to-neutral density ratio n(sub i)/n(sub n) and electrostatic field E were considered in order to investigate the change of ion behavior with respect to the solar cycle and altitude. For low altitudes and/or solar minimum (n(sub i)/n(sub n) less than or equal to 10(exp -5)), the effect of self-collisions is negligible. For higher values of n(sub i)/n(sub n), the effect of self-collisions becomes significant and, hence, the non-Maxwellian features of the O(+) distributions are reduced. In study 2, the steady-state flow of the polar wind protons through a background of O(+) ions was studied. The Fokker-Planck expression was used to represent H(+)-0(+) Coulomb collisions. The transition layer between the collision-dominated and the collisionless regions plays a pivotal role in the behavior of the H(+) flow. In the transition region, the shape of H(+) distribution changes in a complicated manner from Maxwellian to 'kidney bean.' The flow also changes from subsonic to supersonic within the transition region. The heat fluxes of parallel and perpendicular energies change rapidly from their maximum (positive) to their minimum (negative) values within the same transition region. In study 3, a Monte Carlo simulation was developed in order to study the effect of the wave-particle interactions (WPI) on O(+) and H(+) ions outflow in the polar wind. The simulation also considered the other mechanisms included in the classical polar wind studies such as gravity, polarization electrostatic field, and divergence of geomagnetic field lines. Also, an altitude dependent wave spectral density was adopted. The main conclusions are (1) the O(+) velocity distribution develops conic features at high altitudes; (2) the O(+) ions are preferentially energized; (3) the

  16. a Monte Carlo Simulation of Coulomb Collisions and Wave-Particle Interactions in Space Plasma at High Latitudes

    NASA Astrophysics Data System (ADS)

    Barghouthi, Imad Ahmad

    In study I, a Monte Carlo simulation was used to investigate the behavior of O^+ ions that are E x B-drifting through a background of neutral O, with the effect of O^+(Coulomb) self-collisions included. Wide ranges of the ion-to-neutral density ratio n_{i}/n _{n} and electrostatic field E were considered in order to investigate the change of ion behavior with respect to the solar cycle and altitude. For low altitudes and/or solar minimum (n_{i }/n_{n} <= 10 ^{-5}), the effect of self-collisions is negligible. For higher values of n_ {i}/n_{n}, the effect of self-collisions becomes significant and, hence, the non-Maxwellian features of the O^+ distributions are reduced. In study II, the steady-state flow of the polar wind protons through a background of O^+ ions was studied. The Fokker-Planck expression was used to represent H^+-O ^+ Coulomb collisions. The transition layer between the collision-dominated and the collisionless regions plays a pivotal role in the behavior of the H^+ flow. In the transition region, the shape of H ^+ distribution changes in a complicated manner from Maxwellian to "kidney bean". The flow also changes from subsonic to supersonic within the transition region. The heat fluxes of parallel and perpendicular energies change rapidly from their maximum (positive) to their minimum (negative) values within the same transition region. In study III, a Monte Carlo simulation was developed in order to study the effect of the wave-particle interactions (WPI) on O^+ and H^+ ions outflow in the polar wind. The simulation also considered the other mechanisms included in the classical polar wind studies such as gravity, polarization electrostatic field, and divergence of geomagnetic field lines. Also, an altitude dependent wave spectral density was adopted. The main conclusions are (1) the O^+ velocity distribution develops conic features at high altitudes; (2) the O^+ ions are preferentially energized; (3) the escape flux of O^+ increased by a factor of

  17. Beyond Gaussian pair fluctuation theory for strongly interacting Fermi gases

    NASA Astrophysics Data System (ADS)

    Mulkerin, Brendan C.; Liu, Xia-Ji; Hu, Hui

    2016-07-01

    Interacting Fermi systems in the strongly correlated regime play a fundamental role in many areas of physics and are of particular interest to the condensed matter community. Though weakly interacting fermions are understood, strongly correlated fermions are difficult to describe theoretically as there is no small interaction parameter to expand about. Existing strong-coupling theories rely heavily on the so-called many-body T -matrix approximation that sums ladder-type Feynman diagrams. Here, by acknowledging the fact that the effective interparticle interaction (i.e., the vertex function) becomes smaller above three dimensions, we propose an alternative way to reorganize Feynman diagrams and develop a theoretical framework for interacting Fermi gases beyond the ladder approximation. As an application, we solve the equation of state for three- and two-dimensional strongly interacting fermions and find excellent agreement with experimental [M. J. H. Ku et al., Science 335, 563 (2012), 10.1126/science.1214987] and other theoretical results above temperatures of 0.5 TF .

  18. Coulomb stress interactions among M≥5.9 earthquakes in the Gorda deformation zone and on the Mendocino Fracture Zone, Cascadia megathrust, and northern San Andreas fault

    USGS Publications Warehouse

    Rollins, John C.; Stein, Ross S.

    2010-01-01

    The Gorda deformation zone, a 50,000 km2 area of diffuse shear and rotation offshore northernmost California, has been the site of 20 M ≥ 5.9 earthquakes on four different fault orientations since 1976, including four M ≥ 7 shocks. This is the highest rate of large earthquakes in the contiguous United States. We calculate that the source faults of six recent M ≥ 5.9 earthquakes had experienced ≥0.6 bar Coulomb stress increases imparted by earthquakes that struck less than 9 months beforehand. Control tests indicate that ≥0.6 bar Coulomb stress interactions between M ≥ 5.9 earthquakes separated by Mw = 7.3 Trinidad earthquake are consistent with the locations of M ≥ 5.9 earthquakes in the Gorda zone until at least 1995, as well as earthquakes on the Mendocino Fault Zone in 1994 and 2000. Coulomb stress changes imparted by the 1980 earthquake are also consistent with its distinct elbow-shaped aftershock pattern. From these observations, we derive generalized static stress interactions among right-lateral, left-lateral and thrust faults near triple junctions.

  19. Theory of strongly correlated electron systems. I. Intersite Coulomb interaction and the approximation of renormalized fermions in total energy calculations

    NASA Astrophysics Data System (ADS)

    Sandalov, I.; Lundin, U.; Eriksson, O.

    The diagrammatic strong-coupling perturbation theory (SCPT) for correlated electron systems is developed for intersite Coulomb interaction and for a nonorthogonal basis set. The construction is based on iterations of exact closed equations for many-electron Green functions (GFs) for Hubbard operators in terms of functional derivatives with respect to external sources. The graphs, which do not contain the contributions from the fluctuations of the local population numbers of the ion states, play a special role: a one-to-one correspondence is found between the subset of such graphs for the many-electron GFs and the complete set of Feynman graphs of weak-coupling perturbation theory (WCPT) for single-electron GFs. This fact is used for formulation of the approximation of renormalized Fermions (ARF) in which the many-electron quasi-particles behave analogously to normal Fermions. Then, by analyzing: (a) Sham's equation, which connects the self-energy and the exchange-correlation potential in density functional theory (DFT); and (b) the Galitskii and Migdal expressions for the total energy, written within WCPT and within ARF SCPT, a way we suggest a method to improve the description of the systems with correlated electrons within the local density approximation (LDA) to DFT. The formulation, in terms of renormalized Fermions LDA (RF LDA), is obtained by introducing the spectral weights of the many-electron GFs into the definitions of the charge density, the overlap matrices, effective mixing and hopping matrix elements, into existing electronic structure codes, whereas the weights themselves have to be found from an additional set of equations. Compared with LDA+U and self-interaction correction (SIC) methods, RF LDA has the advantage of taking into account the transfer of spectral weights, and, when formulated in terms of GFs, also allows for consideration of excitations and nonzero temperature. Going beyond the ARF SCPT, as well as RF LDA, and taking into account the

  20. Quasi-stationary states and a classification of the range of pair interactions

    SciTech Connect

    Gabrielli, A.; Joyce, M.; Marcos, B.

    2011-03-24

    Systems of long-range interacting particles present typically 'quasi-stationary' states (QSS). Investigating their lifetime for a generic pair interaction V(r{yields}{infinity}){approx}1/r{sup {gamma}} we give a classification of the range of the interactions according to the dynamical properties of the system.

  1. Calculation of the Coulomb Fission Cross Sections for Pb-Pb and Bi-Pb Interactions at 158 A GeV

    NASA Technical Reports Server (NTRS)

    Poyser, William J.; Ahern, Sean C.; Norbury, John W.; Tripathi, R. K.

    2002-01-01

    The Weizsacker-Williams (WW) method of virtual quanta is used to make approximate cross section calculations for peripheral relativistic heavy-ion collisions. We calculated the Coulomb fission cross sections for projectile ions of Pb-208 and Bi-209 with energies of 158 A GeV interacting with a Pb-208 target. We also calculated the electromagnetic absorption cross section for Pb-208 ion interacting as described. For comparison we use both the full WW method and a standard approximate WW method. The approximate WW method in larger cross sections compared to the more accurate full WW method.

  2. A dynamical proximity analysis of interacting galaxy pairs

    NASA Technical Reports Server (NTRS)

    Chatterjee, Tapan K.

    1990-01-01

    Using the impulsive approximation to study the velocity changes of stars during disk-sphere collisions and a method due to Bottlinger to study the post collision orbits of stars, the formation of various types of interacting galaxies is studied as a function of the distance of closest approach between the two galaxies.

  3. Interplay between the pairing and quadrupole interactions in the algebraic realization of the microscopic shell model

    NASA Astrophysics Data System (ADS)

    Drumev, Kalin; Georgieva, Ana

    2015-04-01

    We explore the algebraic realization of the Pairing-Plus-Quadrupole Model/PQM/ in the framework of the Elliott‘s SU(3) Model with the aim to obtain the complementary and competing features of the two interactions through the relation between the pairing and the SU(3) bases. First, we establish a correspondence between the SO(8) pairing basis and the Elliott's SU(3) basis. It is derived from their complementarity to the same LST coupling chain of the shell-model number-conserving algebra. The probability distribution of the SU(3) basis states within the SO(8) pairing states is also obtained and allows the investigation of the interplay between the pairing and quadrupole interactions in the Hamiltonian of the PQM, containing both of them as limiting cases. The description of some realistic N∼Z nuclear systems is investigated in a SU(3)-symmetry-adapted basis within a model space of one and two oscillator shells.

  4. Modeling growth paths of interacting crack pairs in elastic media.

    PubMed

    Ghelichi, Ramin; Kamrin, Ken

    2015-10-28

    The problem of predicting the growth of a system of cracks, each crack influencing the growth of the others, arises in multiple fields. We develop an analytical framework toward this aim, which we apply to the 'En-Passant' family of crack growth problems, in which a pair of initially parallel, offset cracks propagate nontrivially toward each other under far-field opening stress. We utilize boundary integral and perturbation methods of linear elasticity, linear elastic fracture mechanics, and common crack opening criteria to calculate the first analytical model for curved En-Passant crack paths. The integral system is reduced under a hierarchy of approximations, producing three methods of increasing simplicity for computing crack paths. The last such method is a major highlight of this work, using an asymptotic matching argument to predict crack paths based on superposition of simple, single-crack fields. Within the corresponding limits of the three methods, all three are shown to agree with each other. We provide comparisons to exact results and existing experimental data to verify certain approximation steps. PMID:26330342

  5. Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis.

    PubMed

    Marekha, Bogdan A; Kalugin, Oleg N; Idrissi, Abdenacer

    2015-07-14

    Ionic liquids (ILs) being composed of bulky multiatomic ions reveal a plethora of non-covalent interactions which determine their microscopic structure. In order to establish the main peculiarities of these interactions in an IL-environment, we have performed quantum chemical calculations for a set of representative model molecular clusters. These calculations were coupled with advanced methods of analysis of the electron density distribution, namely, the quantum theory of atoms in molecules (QTAIM) and the non-covalent interaction (NCI; J. Am. Chem. Soc., 2010, 132, 6499) approaches. The former allows for profound quantitative characterization of non-covalent interactions between atoms while the latter gives an overview of spatial extent, delocalization, and relative strength of such interactions. The studied systems consist of 1-butyl-3-methylimidazolium (Bmim(+)) cations and different perfluorinated anions: tetrafluoroborate (BF4(-)), hexafluorophosphate (PF6(-)), trifluoromethanesulfonate (TfO(-)), and bis(trifluoromethanesulfonyl)imide (TFSI(-)). IL ion pairs and ion pair dimers were considered as model structures for the neat ILs and large aggregates. Weak electrostatic hydrogen bonding was found between the anions and the imidazolium ring hydrogen atoms of cations. Weaker but still appreciable hydrogen bonding was also noted for hydrogen atoms adjacent to the imidazolium ring alkyl groups of Bmim(+). The relative strength of the hydrogen bonding is higher in BmimTfO and BmimBF4 ILs than in BmimPF6 and BmimTFSI, whereas BmimTfO and BmimTFSI reveal higher sensitivity of hydrogen bonding at the different hydrogen atoms of the imidazolium ring. PMID:26059822

  6. Effective pairing interaction in semi-infinite nuclear matter in the Brueckner approach: Model {delta}-shaped NN interaction

    SciTech Connect

    Baldo, M.; Lombardo, U.; Saperstein, E.E.; Zverev, M.V.

    1995-09-01

    The problem of pairing in semi-infinite nuclear matter is considered in the Brueckner approach. Equations for effective pairing interaction in semi-infinite matter are derived for the case of the separable representation of realistic NN interaction. The propagator of two noninteracting particles in a semi-infinite potential well is calculated numerically. The equation for effective interaction is solved for a model 8-shaped NN interaction, which correctly reproduces NN scattering in the low-energy limit. 15 refs., 10 figs.

  7. Extremely strong bipolar optical interactions in paired graphene nanoribbons.

    PubMed

    Lu, Wanli; Chen, Huajin; Liu, Shiyang; Zi, Jian; Lin, Zhifang

    2016-03-28

    Graphene is an excellent multi-functional platform for electrons, photons, and phonons due to exceptional electronic, photonic, and thermal properties. When combining its extraordinary mechanical characteristics with optical properties, graphene-based nanostructures can serve as an appealing platform for optomechanical applications at the nanoscale. Here, we demonstrate, using full-wave simulations, the emergence of extremely strong bipolar optical forces, or, optical binding and anti-binding, between a pair of coupled graphene nanoribbons, due to the remarkable confinement and enhancement of optical fields arising from the large effective mode indices. In particular, the binding and anti-binding forces, which are about two orders of magnitude stronger than that in metamaterials and high-Q resonators, can be tailored by selective excitation of either the even or the odd optical modes, achievable by tuning the relative phase of the lightwaves propagating along the two ribbons. Based on the coupled mode theory, we derive analytical formulae for the bipolar optical forces, which agree well with the numerical results. The attractive optical binding force F(y)(b) and the repulsive anti-binding force F(y)(a) exhibit a remarkably different dependence on the gap distance g between the nanoribbons and the Fermi energy E(F), in the forms of F(y)(b) ∝ 1/√(g³E(F)) and F(y)(a) ∝ 1/E(F)(2). With E(F) dynamically tunable by bias voltage, the bipolar forces may provide a flexible handle for active control of the nanoscale optomechanical effects, and also, might be significant for optoelectronic and optothermal applications as well. PMID:26948095

  8. Higher angular momentum pairing from transverse gauge interactions

    NASA Astrophysics Data System (ADS)

    Chung, Suk Bum; Mandal, Ipsita; Raghu, Srinivas; Chakravarty, Sudip

    2013-07-01

    In this paper, we study the superconductivity of nonrelativistic fermions at finite-density coupled to a transverse U(1) gauge field, with the effective interaction including the Landau-damping. This model, first studied by Holstein, Norton, and Pincus [Phys. Rev. B1098-012110.1103/PhysRevB.8.2649 8, 2649 (1973)] has been known as an example of a non-Fermi liquid, i.e., a metallic state in which the decay rate of a quasiparticle is large compared to the characteristic quasiparticle energy; other examples of the non-Fermi liquid includes the two dimensional (2d) electron gas in a magnetic field at ν=1/2 and the normal state of optimally doped cuprate superconductors. Our study thus addresses the question of whether or not non-Fermi liquids, like Fermi liquids, are unstable towards the formation of superconductivity. The results are (i) the non-Fermi liquid is stable against superconductivity below a critical gauge coupling, (ii) above this critical coupling, the ground state is an unconventional superconductor with angular momentum ℓ≥2. Our results are obtained from a solution of the Dyson-Nambu equation. Note that in this problem there is a quantum critical point between a non-Fermi liquid state and the superconducting state, as the critical coupling is nonzero. This is in contrast to a weakly coupled metal, which exhibits superconductivity for infinitesimally weak interaction regardless of its sign.

  9. Isolated Galaxies versus Interacting Pairs with MaNGA

    NASA Astrophysics Data System (ADS)

    Fernández, María; Yuan, Fangting; Shen, Shiyin; Yin, Jun; Chang, Ruixiang; Feng, Shuai

    2015-10-01

    We present preliminary results of the spectral analysis on the radial distributions of the star formation history in both, a galaxy merger and a spiral isolated galaxy observed with MaNGA. We find that the central part of the isolated galaxy is composed by older stellar population ($\\sim$2 Gyr) than in the outskirts ($\\sim$7 Gyr). Also, the time-scale is gradually larger from 1 Gyr in the inner part to 3 Gyr in the outer regions of the galaxy. In the case of the merger, the stellar population in the central region is older than in the tails, presenting a longer time-scale in comparison to central part in the isolated galaxy. Our results are in agreement with a scenario where spiral galaxies are built from inside-out. In the case of the merger, we find evidence that interactions enhance star formation in the central part of the galaxy.

  10. Effect of spin-orbit and on-site Coulomb interactions on the electronic structure and lattice dynamics of uranium monocarbide

    NASA Astrophysics Data System (ADS)

    Wdowik, U. D.; Piekarz, P.; Legut, D.; Jagło, G.

    2016-08-01

    Uranium monocarbide, a potential fuel material for the generation IV reactors, is investigated within density functional theory. Its electronic, magnetic, elastic, and phonon properties are analyzed and discussed in terms of spin-orbit interaction and localized versus itinerant behavior of the 5 f electrons. The localization of the 5 f states is tuned by varying the local Coulomb repulsion interaction parameter. We demonstrate that the theoretical electronic structure, elastic constants, phonon dispersions, and their densities of states can reproduce accurately the results of x-ray photoemission and bremsstrahlung isochromat measurements as well as inelastic neutron scattering experiments only when the 5 f states experience the spin-orbit interaction and simultaneously remain partially localized. The partial localization of the 5 f electrons could be represented by a moderate value of the on-site Coulomb interaction parameter of about 2 eV. The results of the present studies indicate that both strong electron correlations and spin-orbit effects are crucial for realistic theoretical description of the ground-state properties of uranium carbide.

  11. An Application of the Direct Coulomb Electron Pair Production Process to the Energy Measurement of the "VH-Group" in the "Knee" Region of the "All-Particle" Energy Spectrum

    NASA Technical Reports Server (NTRS)

    Derrickson, J. H.; Wu, J.; Christl, M. J.; Fountain, W. F.; Parnell, T. A.

    1999-01-01

    The "all-particle" cosmic ray energy spectrum appears to be exhibiting a significant change in the spectral index just above approximately 3000 TeV. This could indicate (1) a change in the propagation of the cosmic rays in the galactic medium, and/or (2) the upper limit of the supernova shock wave acceleration mechanism, and/or (3) a new source of high-energy cosmic rays. Air shower and JACEE data indicate the spectral change is associated with a composition change to a heavier element mixture whereas DICE does not indicate this. A detector concept will be presented that utilizes the energy dependence of the production of direct Coulomb electron-positron pairs by energetic heavy ions. Monte Carlo simulations of a direct electron pair detector consisting of Pb target foils interleaved with planes of 1-mm square scintillating optical fibers will be discussed. The goal is to design a large area, non-saturating instrument to measure the energy spectrum of the individual cosmic ray elements in the "VH-group" for energies greater than 10 TeV/nucleon.

  12. Efficient table lookup without inverse square roots for calculation of pair wise atomic interactions in classical simulations.

    PubMed

    Nilsson, Lennart

    2009-07-15

    A major bottleneck in classical atomistic simulations of biomolecular systems is the calculation of the pair wise nonbonded (Coulomb, van der Waals) interactions. This remains an issue even when methods are used (e.g., lattice summation or spherical cutoffs) in which the number of interactions is reduced from O(N(2)) to O(NlogN) or O(N). The interaction forces and energies can either be calculated directly each time they are needed or retrieved using precomputed values in a lookup table; the choice between direct calculation and table lookup methods depends on the characteristics of the system studied (total number of particles and the number of particle kinds) as well as the hardware used (CPU speed, size and speed of cache, and main memory). A recently developed lookup table code, implemented in portable and easily maintained FORTRAN 95 in the CHARMM program (www.charmm.org), achieves a 1.5- to 2-fold speedup compared with standard calculations using highly optimized FORTRAN code in real molecular dynamics simulations for a wide range of molecular system sizes. No approximations other than the finite resolution of the tables are introduced, and linear interpolation in a table with the relatively modest density of 100 points/A(2) yields the same accuracy as the standard double precision calculations. For proteins in explicit water a less dense table (10 points/A(2)) is 10-20% faster than using the larger table, and only slightly less accurate. The lookup table is even faster than hand coded assembler routines in most cases, mainly due to a significantly smaller operation count inside the inner loop. PMID:19072764

  13. The estimations of electron-positron pair's production at the high-intensity laser interactions with matter

    SciTech Connect

    Gryaznykh, D. A.; Kandiev, Y. Z.; Lykov, V. A.

    1997-04-15

    The processes of electron-positron pairs generation induced by laser radiation of 10{sup 18}-10{sup 20} W/cm{sup 2} are studied. The results of pairs production in Coulomb field of nucleus by relativistic electrons are presented. The estimations of positrons generation and yield from targets considering production from electrons and bremsstrahlung photons are made. The PRIZMA-code simulations performed using Monte-Carlo method confirm the estimations. The positrons yield of 10{sup 8}-10{sup 10} from high-Z targets irradiated by picosecond lasers of power 10{sup 2}-10{sup 3} TW is found to be possible.

  14. Interrelations between the pairing and quadrupole interactions in the microscopic Shell Model

    NASA Astrophysics Data System (ADS)

    Drumev, K. P.; Georgieva, A. I.

    2016-01-01

    We explore the dynamical symmetries of the shell model number conserving algebra, which define three types of pairing and quadrupole phases, with the aim to obtain the prevailing phase or phase transition for the real nuclear systems in a single shell. This is achieved by establishing a correspondence between each of the pairing bases with the Elliott's SU(3) basis that describes collective rotation of nuclear systems. This allows for a complete classification of the basis states of different number of particles in all the limiting cases. The probability distribution of the SU(3) basis states within theirs corresponding pairing states is also obtained. The relative strengths of dynamically symmetric quadrupole-quadrupole interaction in respect to the isoscalar, isovector and total pairing interactions define a control parameter, which estimates the importance of each term of the Hamiltonian in the correct reproduction of the experimental data for the considered nuclei.

  15. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

    SciTech Connect

    Mao, James X; Lee, Anita S; Kitchin, John R; Nulwala, Hunaid B; Luebke, David R; Damodaran, Krishnan

    2013-04-24

    Density Functional Theory is used to investigate a weakly coordinating room-temperature ionic liquid, 1-ethyl-3-methyl imidazolium tetracyanoborate ([Emim]{sup +}[TCB]{sup -}). Four locally stable conformers of the ion pair were located. Atoms-in-molecules (AIM) and electron density analysis indicated the existence of several hydrogen bonds. Further investigation through the Natural Bond Orbital (NBO) and Natural Energy Decomposition Analysis (NEDA) calculations provided insight into the origin of interactions in the [Emim]{sup +}[TCB]{sup -} ion pair. Strength of molecular interactions in the ionic liquid was correlated with frequency shifts of the characteristic vibrations of the ion pair. Harmonic vibrations of the ion pair were also compared with the experimental Raman and Infrared spectra. Vibrational frequencies were assigned by visualizing displacements of atoms around their equilibrium positions and through Potential Energy Distribution (PED) analysis.

  16. Collective Modes and f-Wave Pairing Interactions in Superfluid {sup 3}He

    SciTech Connect

    Davis, J. P.; Choi, H.; Pollanen, J.; Halperin, W. P.

    2006-09-15

    Precision measurements of collective mode frequencies in superfluid {sup 3}He-B are sensitive to quasiparticle and f-wave pairing interactions. Measurements were performed at various pressures using interference of transverse sound in an acoustic cavity. We fit the measured collective mode frequencies, which depend on the strength of f-wave pairing and the Fermi liquid parameter F{sub 2}{sup s}, to theoretical predictions and discuss what implications these values have for observing new order parameter collective modes.

  17. Quantifying Electrical Interactions between Cardiomyocytes and Other Cells in Micropatterned Cell Pairs

    PubMed Central

    Nguyen, Hung; Badie, Nima; McSpadden, Luke; Pedrotty, Dawn; Bursac, Nenad

    2014-01-01

    Micropatterning is a powerful technique to control cell shape and position on a culture substrate. In this chapter, we describe the method to reproducibly create large numbers of micropatterned heterotypic cell pairs with defined size, shape, and length of cell–cell contact. These cell pairs can be utilized in patch clamp recordings to quantify electrical interactions between cardiomyocytes and non-cardiomyocytes. PMID:25070342

  18. Photon emission and pair production in the interaction of ultra-intense lasers with electrons

    NASA Astrophysics Data System (ADS)

    Jirka, Martin; Klimo, Ondrej; Bulanov, Sergei; Weber, Stefan

    2015-11-01

    With the advent of 10 PW laser facilities, new regimes of laser-matter interaction are opening since QED effects come into play. Due to the radiation reaction which takes place in ultra-intense laser-matter interactions, charged particles lose their energy by emitting high-energy photons. These photons can in the strong laser field create electron-positron pairs via Breit-Wheeler process. One possible interaction scenario leading to efficient generation of pairs is the interaction of two colliding laser pulses with an electron target lying in the common focal spot. In our PIC simulations, gamma-ray photon emission and pair production are studied for different laser wavelengths, intensities and both laser polarization. According to our results, linearly polarized laser pulses seem to be more convenient for efficient pair creation. The role of ions contained in the target and its density are also assessed. Results are compared with the different interaction configuration when the energetic electron bunch interacts with one counter-propagating laser pulse. This research has been partially supported by the Czech Science Foundation (Project No. 15-02964S).

  19. Complex-Scaling Treatment for Doubly Excited Inter-Shell Resonances in H- Interacting with Screened Coulomb (Yukawa) Potentials

    NASA Astrophysics Data System (ADS)

    Ho, Y. K.; Kar, S.

    2012-10-01

    The doubly-excited inter-shell resonance states of the hydrogen negative ion with screened Coulomb potentials are investigated in the framework of complex-scaling method. Highly correlated wave functions with terms up to 1078 in Hylleraas coordinates are used. The resonance parameters for the 2 s3 s 1 S e associated with the H ( N = 2) threshold and the 3 s4 s 1 S e state associated with the H ( N = 3) threshold for various screening strengths are reported. Comparisons are made with other available data in the literature.

  20. Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues

    SciTech Connect

    Leszczynski, Jerzy; Sponer, Judit; Sponer, Jiri; Sumpter, Bobby G; Fuentes-Cabrera, Miguel A; Vazquez-Mayagoitia, Alvaro

    2010-01-01

    Recent experimental studies on the Watson Crick type base pairing of triazine and aminopyrimidine derivatives suggest that acid/base properties of the constituent bases might be related to the duplex stabilities measured in solution. Herein we use high-level quantum chemical calculations and molecular dynamics simulations to evaluate the base pairing and stacking interactions of seven selected base pairs, which are common in that they are stabilized by two NH O hydrogen bonds separated by one NH N hydrogen bond. We show that neither the base pairing nor the base stacking interaction energies correlate with the reported pKa data of the bases and the melting points of the duplexes. This suggests that the experimentally observed correlation between the melting point data of the duplexes and the pKa values of the constituent bases is not rooted in the intrinsic base pairing and stacking properties. The physical chemistry origin of the observed experimental correlation thus remains unexplained and requires further investigations. In addition, since our calculations are carried out with extrapolation to the complete basis set of atomic orbitals and with inclusion of higher electron correlation effects, they provide reference data for stacking and base pairing energies of non-natural bases.

  1. Nucleon-pair states of even-even Sn isotopes based on realistic effective interactions

    NASA Astrophysics Data System (ADS)

    Cheng, Y. Y.; Qi, C.; Zhao, Y. M.; Arima, A.

    2016-08-01

    In this paper we study yrast states of 128,126,124Sn and 104,106,108Sn by using the monopole-optimized realistic interactions in terms of both the shell model (SM) and the nucleon-pair approximation (NPA). For yrast states of 128,126Sn and 104,106Sn, we calculate the overlaps between the wave functions obtained in the full SM space and those obtained in the truncated NPA space, and find that most of these overlaps are very close to 1. Very interestingly, for most of these states with positive parity and even spin or with negative parity and odd spin, the SM wave function is found to be well represented by one nucleon-pair basis state, viz., a simple picture of "nucleon-pair states" (nucleon-pair configuration without mixings) emerges. In 128,126Sn, the positive-parity (or negative-parity) yrast states with spin J >10 (or J >7 ) are found to be well described by breaking one or two S pairs in the 101+ (or 71-) state, i.e., the yrast state of seniority-two, spin-maximum, and positive-parity (or negative-parity), into non-S pair(s). Similar regularity is also pointed out for 104,106Sn. The evolution of E 2 transition rates between low-lying states in 128,126,124Sn is discussed in terms of the seniority scheme.

  2. Study of atomic dipole-dipole interactions via measurement of atom-pair kinetics

    NASA Astrophysics Data System (ADS)

    Thaicharoen, Nithiwadee; Gonçalves, Luís Felipe; Raithel, Georg

    2016-05-01

    We observe atom-pair kinetics due to binary dipolar forces by direct imaging of the center-of-mass positions of the individual Rydberg atoms and pair-correlation analysis. To prepare a highly dipolar quantum state, Rydberg-atom ensembles are switched from a weakly- into a strongly-interacting regime via adiabatic state transformation. The transformed atoms exhibit a large permanent electric dipole moment that is locked to the direction of an applied electric field. The resultant electric dipole-dipole forces reveal dumbbell-shaped pair correlation images that demonstrate the anisotropy of the binary dipolar force. The dipole-dipole interaction coefficient C3, derived from the time dependence of the images, agrees with the value calculated from the known permanent electric-dipole moment of the atoms. The observations also show the dynamics reminiscent of disorder-induced heating in strongly coupled particle systems.

  3. Dielectric-dependent screened Hartree-Fock exchange potential and Slater-formula with Coulomb-hole interaction for energy band structure calculations.

    PubMed

    Shimazaki, Tomomi; Nakajima, Takahito

    2014-09-21

    We previously reported a screened Hartree-Fock (HF) exchange potential for energy band structure calculations [T. Shimazaki and Y. Asai, J. Chem. Phys. 130, 164702 (2009); T. Shimazaki and Y. Asai, J. Chem. Phys. 132, 224105 (2010)]. In this paper, we discuss the Coulomb-hole (COH) interaction and screened Slater-formula and determine the energy band diagrams of several semiconductors, such as diamond, silicon, AlAs, AlP, GaAs, GaP, and InP, based on the screened HF exchange potential and Slater-formula with COH interaction, to demonstrate the adequacy of those theoretical concepts. The screened HF exchange potential and Slater-formula are derived from a simplified dielectric function and, therefore, include the dielectric constant in their expressions. We also present a self-consistent calculation technique to automatically determine the dielectric constant, which is incorporated into each self-consistent field step. PMID:25240347

  4. The Role of CH···O Coulombic Interactions in Determining Rotameric Conformations of Phenyl Substituted 1,3-Dioxanes and Tetrahydropyrans.

    PubMed

    Wiberg, Kenneth B; Lambert, Kyle M; Bailey, William F

    2015-08-21

    The rotameric conformations of the phenyl ring in both the axial and the equatorial conformers of phenyl substituted 1,3-dioxanes and tetrahydropyrans are compared with those of the corresponding phenylcyclohexanes at the MP2/6-311+G* level. The compounds with an axial phenyl commonly adopt a conformation in which the plane of the aromatic ring is perpendicular to the benzylic C-H bond. However, axial 5-phenyl-1,3-dioxane adopts a "parallel" conformation that allows an ortho hydrogen to be proximate to the two ring oxygens, leading to attractive CH···O interactions. Stabilizing Coulombic interactions of this sort are found with many of the oxygen-containing six-membered rings that were investigated. PMID:26182246

  5. Dielectric-dependent screened Hartree-Fock exchange potential and Slater-formula with Coulomb-hole interaction for energy band structure calculations

    NASA Astrophysics Data System (ADS)

    Shimazaki, Tomomi; Nakajima, Takahito

    2014-09-01

    We previously reported a screened Hartree-Fock (HF) exchange potential for energy band structure calculations [T. Shimazaki and Y. Asai, J. Chem. Phys. 130, 164702 (2009); T. Shimazaki and Y. Asai, J. Chem. Phys. 132, 224105 (2010)]. In this paper, we discuss the Coulomb-hole (COH) interaction and screened Slater-formula and determine the energy band diagrams of several semiconductors, such as diamond, silicon, AlAs, AlP, GaAs, GaP, and InP, based on the screened HF exchange potential and Slater-formula with COH interaction, to demonstrate the adequacy of those theoretical concepts. The screened HF exchange potential and Slater-formula are derived from a simplified dielectric function and, therefore, include the dielectric constant in their expressions. We also present a self-consistent calculation technique to automatically determine the dielectric constant, which is incorporated into each self-consistent field step.

  6. Cooperative Interactions in Peer Tutoring: Patterns and Sequences in Paired Writing

    ERIC Educational Resources Information Center

    Duran, David

    2010-01-01

    The research analyzes the interaction of 24 students (12 pairs) of secondary students when using peer tutoring techniques to learn Catalan. Students worked together in a program to produce an authentic writing experience. Significant increases were observed in pre- and posttest Catalan attainment scores of students. An analysis of the…

  7. The Quantity and Quality of Language Practice in Typical Interactive Pair/Group Tasks

    ERIC Educational Resources Information Center

    Collins, Laura; White, Joanna

    2014-01-01

    This article reports on a study examining the language practice opportunities that occurred during a range of paired and small group interactive tasks in an intensive English as a Second Language (ESL) class of francophone Grade 6 students. The analysis focussed on the opportunities the tasks provided for the use of two complex and challenging…

  8. Spin and pseudospin symmetric Dirac particles in the field of Tietz—Hua potential including Coulomb tensor interaction

    NASA Astrophysics Data System (ADS)

    Sameer, M. Ikhdair; Majid, Hamzavi

    2013-09-01

    Approximate analytical solutions of the Dirac equation for Tietz—Hua (TH) potential including Coulomb-like tensor (CLT) potential with arbitrary spin—orbit quantum number κ are obtained within the Pekeris approximation scheme to deal with the spin—orbit coupling terms κ(κ ± 1)r-2. Under the exact spin and pseudospin symmetric limitation, bound state energy eigenvalues and associated unnormalized two-component wave functions of the Dirac particle in the field of both attractive and repulsive TH potential with tensor potential are found using the parametric Nikiforov—Uvarov (NU) method. The cases of the Morse oscillator with tensor potential, the generalized Morse oscillator with tensor potential, and the non-relativistic limits have been investigated.

  9. Stereoscopic Investigations of 3D Coulomb Balls

    SciTech Connect

    Kaeding, Sebastian; Melzer, Andre; Arp, Oliver; Block, Dietmar; Piel, Alexander

    2005-10-31

    In dusty plasmas particles are arranged due to the influence of external forces and the Coulomb interaction. Recently Arp et al. were able to generate 3D spherical dust clouds, so-called Coulomb balls. Here, we present measurements that reveal the full 3D particle trajectories from stereoscopic imaging.

  10. Dopamine and opioid systems interact within the nucleus accumbens to maintain monogamous pair bonds

    PubMed Central

    Resendez, Shanna L; Keyes, Piper C; Day, Jeremy J; Hambro, Caely; Austin, Curtis J; Maina, Francis K; Eidson, Lori N; Porter-Stransky, Kirsten A; Nevárez, Natalie; McLean, J William; Kuhnmuench, Morgan A; Murphy, Anne Z; Mathews, Tiffany A; Aragona, Brandon J

    2016-01-01

    Prairie vole breeder pairs form monogamous pair bonds, which are maintained through the expression of selective aggression toward novel conspecifics. Here, we utilize behavioral and anatomical techniques to extend the current understanding of neural mechanisms that mediate pair bond maintenance. For both sexes, we show that pair bonding up-regulates mRNA expression for genes encoding D1-like dopamine (DA) receptors and dynorphin as well as enhances stimulated DA release within the nucleus accumbens (NAc). We next show that D1-like receptor regulation of selective aggression is mediated through downstream activation of kappa-opioid receptors (KORs) and that activation of these receptors mediates social avoidance. Finally, we also identified sex-specific alterations in KOR binding density within the NAc shell of paired males and demonstrate that this alteration contributes to the neuroprotective effect of pair bonding against drug reward. Together, these findings suggest motivational and valence processing systems interact to mediate the maintenance of social bonds. DOI: http://dx.doi.org/10.7554/eLife.15325.001 PMID:27371827

  11. Computation of the high temperature Coulomb density matrix in periodic boundary conditions

    NASA Astrophysics Data System (ADS)

    Militzer, B.

    2016-07-01

    The high temperature many-body density matrix is fundamental to path integral computation. The pair approximation, where the interaction part is written as a product of pair density matrices, is commonly used and is accurate to order τ2, where τ is the step size in the imaginary time. Here we present a method for systems with Coulomb interactions in periodic boundary conditions that consistently treats the all interactions with the same level of accuracy. It is shown that this leads to a more accurate high temperature solution of the Bloch equation. The method is applied to many-body simulation and tests for the isolated hydrogen atom and molecule are presented.

  12. Non-invasive determination of external forces in vortex-pair-cylinder interactions

    NASA Astrophysics Data System (ADS)

    Hartmann, D.; Schröder, W.; Shashikanth, B. N.

    2012-06-01

    Expressions for the conserved linear and angular momenta of a dynamically coupled fluid + solid system are derived. Based on the knowledge of the flow velocity field, these expressions allow the determination of the external forces exerted on a body moving in the fluid such as, e.g., swimming fish. The verification of the derived conserved quantities is done numerically. The interaction of a vortex pair with a circular cylinder in various configurations of motions representing a generic test case for a dynamically coupled fluid + solid system is investigated in a weakly compressible Navier-Stokes setting using a Cartesian cut-cell method, i.e., the moving circular cylinder is represented by cut cells on a moving mesh. The objectives of this study are twofold. The first objective is to show the robustness of the derived expressions for the conserved linear and angular momenta with respect to bounded and discrete data sets. The second objective is to study the coupled dynamics of the vortex pair and a neutrally buoyant cylinder free to move in response to the fluid stresses exerted on its surface. A comparison of the vortex-body interaction with the case of a fixed circular cylinder evidences significant differences in the vortex dynamics. When the cylinder is fixed strong secondary vorticity is generated resulting in a repeating process between the primary vortex pair and the cylinder. In the neutrally buoyant cylinder case, a stable structure consisting of the primary vortex pair and secondary vorticity shear layers stays attached to the moving cylinder. In addition to these fundamental cases, the vortex-pair-cylinder interaction is studied for locomotion at constant speed and locomotion at constant thrust. It is shown that a similar vortex structure like in the neutrally buoyant cylinder case is obtained when the cylinder moves away from the approaching vortex pair at a constant speed smaller than the vortex pair translational velocity. Finally, the idealized

  13. Evidence for Phonon Mediated Pairing Interaction in the Halo of the Nucleus {sup 11}Li

    SciTech Connect

    Potel, G.; Barranco, F.; Vigezzi, E.; Broglia, R. A.

    2010-10-22

    With the help of a unified nuclear-structure-direct-reaction theory we analyze the reaction {sup 1}H({sup 11}Li,{sup 9}Li){sup 3}H. The two halo neutrons are correlated through the bare and the induced (medium polarization) pairing interaction. By considering all dominant reaction channels leading to the population of the 1/2{sup -} (2.69 MeV) first excited state of {sup 9}Li, namely, multistep transfer (successive, simultaneous, and nonorthogonality), breakup, and inelastic channels, it is possible to show that the experiment provides direct evidence of phonon mediated pairing.

  14. Effects of the plasma profiles on photon and pair production in ultrahigh intensity laser solid interaction

    SciTech Connect

    Tian, Y. X.; Jin, X. L. Yan, W. Z.; Li, J. Q.; Li, B.; Yu, J. Q.

    2015-12-15

    The model of photon and pair production in strong field quantum electrodynamics is implemented into our 1D3V particle-in-cell code with Monte Carlo algorithm. Using this code, the evolution of the particles in ultrahigh intensity laser (∼10{sup 23} W/cm{sup 2}) interaction with aluminum foil target is observed. Four different initial plasma profiles are considered in the simulations. The effects of initial plasma profiles on photon and pair production, energy spectra, and energy evolution are analyzed. The results imply that one can set an optimal initial plasma profile to obtain the desired photon distributions.

  15. Role of ion-pair interactions on asphaltene stabilization by alkylbenzenesulfonic acids.

    PubMed

    Goual, Lamia; Sedghi, Mohammad

    2015-02-15

    The dispersion of asphaltenes by dodecylbenzenesulfonic acid (DBSA) has been the subject of several studies in the past. However, it is unclear how these interactions affect the structure of asphaltenes and why asphaltene aggregates are larger in the presence of ionic DBSA. The main goal of this study was to address these points using a combination of high-resolution transmission electron microscopy (HRTEM) and molecular dynamics (MD) simulations. Another objective was to compare ionic DBSA (i.e., dodecylbenzenesulfonate or DBS(-)) to nonionic amphiphiles such as alkylphenols. A striking similarity between dodecylbenzenesulfonate and alkylphenols was that both favored the formation of filamentary rather than globular asphaltene flocculates. However the mechanism by which those filaments formed was very different. Two strong electrostatic interactions between DBSA and asphaltenes were found: (i) those between protonated asphaltenes (i.e., AH(+)) and DBS(-) molecules, which were fifteen times stronger than asphaltene-alkylphenol interactions, and (ii) those between two asphaltene-dispersant pairs (i.e., AH(+)-DBS(-) ion pairs), which did not exist with alkylphenols. These interactions promoted the formation of large and compact asphaltene flocculates, as compared to small and loose ones formed without DBSA. Flocculates with DBSA could further bind to each other through ion-pair interactions. The binding occurred in series (generating long filaments) or in parallel (generating lateral ramifications). However the series configuration was energetically favored due to less steric effects generated by the side aliphatic chains of asphaltenes and DBSA. PMID:25460685

  16. Coulomb attraction in optical spectra of quantum discs

    NASA Astrophysics Data System (ADS)

    Adolph, B.; Glutsch, S.; Bechstedt, F.

    1994-06-01

    We present a theory which describes the influence of the Coulomb interaction on the optical spectra of quantum discs within the envelope function formalism. Starting from a non-local Elliott formula luminescence is traced back to two-particle wave functions and energies. They are solutions of the corresponding Schrödinger equation for an electron-hole pair under the influence of the Coulomb attraction and confinement potentials determined by the spatial variation of the band edges of the considered microstructure. We present a complete numerical solution of the two-particle problem for flat quantum dots, i.e. discs for which the size quantization in growth direction is much stronger than that in the xy-plane. We discuss two different situations, single discs with infinite and finite confinement potentials. Resulting theoretical lineshapes are compared with luminescence spectra obtained recently for quantum discs fabricated by laser-induced thermal cation interdiffusion in quantum-well structures.

  17. Studies of Coulomb Gauge QCD

    SciTech Connect

    Adam P. Szczepaniak; Eric S. Swanson

    2000-12-12

    Here we will discuss how the nonabelian Coulomb kernel exhibits confinement already at the mean field level. In the heavy quark limit residual interactions between heavy quarks and transverse gluons are spin dependent i.e., relativistic and can be calculated using the Foldy-Wouthuysen transformation. This makes the Coulomb gauge suitable for studying the nonrelativistic limit. Finally it is possible to use standard mean field techniques to define quasiparticle excitations, which, as we discuss below, have similar properties to what is usually assumed about constituent quarks in the light quark sector.

  18. Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.

    PubMed

    Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D; Wang, Yuping; McGonigal, Paul R; Frasconi, Marco; Barnes, Jonathan C; Fahrenbach, Albert C; Wasielewski, Michael R; Goddard, William A; Stoddart, J Fraser

    2016-07-01

    The results of a systematic investigation of trisradical tricationic complexes formed between cyclobis(paraquat-p-phenylene) bisradical dicationic (CBPQT(2(•+))) rings and a series of 18 dumbbells, containing centrally located 4,4'-bipyridinium radical cationic (BIPY(•+)) units within oligomethylene chains terminated for the most part by charged 3,5-dimethylpyridinium (PY(+)) and/or neutral 3,5-dimethylphenyl (PH) groups, are reported. The complexes were obtained by treating equimolar amounts of the CBPQT(4+) ring and the dumbbells containing BIPY(2+) units with zinc dust in acetonitrile solutions. Whereas UV-Vis-NIR spectra revealed absorption bands centered on ca. 1100 nm with quite different intensities for the 1:1 complexes depending on the constitutions and charges on the dumbbells, titration experiments showed that the association constants (Ka) for complex formation vary over a wide range, from 800 M(-1) for the weakest to 180 000 M(-1) for the strongest. While Coulombic repulsions emanating from PY(+) groups located at the ends of some of the dumbbells undoubtedly contribute to the destabilization of the trisradical tricationic complexes, solid-state superstructures support the contention that those dumbbells with neutral PH groups at the ends of flexible and appropriately constituted links to the BIPY(•+) units stand to gain some additional stabilization from C-H···π interactions between the CBPQT(2(•+)) rings and the PH termini on the dumbbells. The findings reported in this Article demonstrate how structural changes implemented remotely from the BIPY(•+) units influence their non-covalent bonding interactions with CBPQT(2(•+)) rings. Different secondary effects (Coulombic repulsions versus C-H···π interactions) are uncovered, and their contributions to both binding strengths associated with trisradical interactions and the kinetics of associations and dissociations are discussed at some length, supported by extensive DFT

  19. Improved Shell models for screened Coulomb balls

    NASA Astrophysics Data System (ADS)

    Bonitz, M.; Kaehlert, H.; Henning, C.; Baumgartner, H.; Filinov, A.

    2006-10-01

    Spherical Coulomb crystals in dusty plasmas [1] are well described by an isotropic Yukawa-type pair interaction and an external parabolic confinement as was shown by extensive molecular dynamics simulations [2]. A much simpler description is possible with analytical shell models which have been derived for Yukawas plasmas in [3,4]. Here we analyze improved Yukawa shell models which include correlations along the lines proposed for Coulomb crystals in [5]. The shell configurations are efficiently evaluated using a Monte Carlo procedure. [1] O. Arp, A. Piel and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] M. Bonitz, D. Block, O. Arp, V. Golunychiy, H. Baumgartner, P. Ludwig, A. Piel and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006). [3] H. Totsuji, C. Totsuji, T. Ogawa, and K. Tsuruta, Phys. Rev. E 71, 045401 (2005). [4] C. Henning, M. Bonitz, A. Piel, P. Ludwig, H. Baumgartner, V. Golubnichiy, and D. Block, submitted to Phys. Rev. E [5] W.D. Kraeft and M. Bonitz, J. Phys. Conf. Ser. 35, 94 (2006).

  20. New nucleotide pairs for stable DNA triplexes stabilized by stacking interaction.

    PubMed

    Mizuta, Masahiro; Banba, Jun-ichi; Kanamori, Takashi; Tawarada, Ryuya; Ohkubo, Akihiro; Sekine, Mitsuo; Seio, Kohji

    2008-07-30

    New nucleotide pairs applicable to formation of DNA triplexes were developed. We designed oligonucleotides incorporating 5-aryl deoxycytidine derivatives (dC5Ars) and cyclic deoxycytidine derivatives, dCPPP and dCPPI, having an expanded aromatic area, as the second strand. As pairing partners, two types of abasic residues (C3: propylene linker, phi: abasic base) were chosen. It was concluded that, when the 5-aryl-modified cytosine bases paired with the abasic sites in TFOs in a space-fitting manner, the stability of the resulting triplexes significantly increased. The recognition of C3 toward dC5Ars was selective because of the stacking interactions between their aromatic part and the nucleobases flanking the abasic site. These results indicate the potential utility of new nucleotide triplets for DNA triplex formation, which might expand the variety of structures and sequences and might be useful for biorelated fields such as DNA nanotechnologies. PMID:18611007

  1. Generation of periodic ultrashort electron bunches and strongly asymmetric ion Coulomb explosion in nanometer foils interacting with ultra-intense laser pulse

    SciTech Connect

    Tian Youwei; Yu Wei; Xu Han; Lei Anle; Shen Baifei; Wang Xin; Lu Peixiang; Senecha, Vinod

    2008-05-15

    The interaction of a linearly polarized intense laser pulse with an ultrathin nanometer plasma layer is investigated to understand the physics of the ion acceleration. It is shown by the computer simulation that the plasma response to the laser pulse comprises two steps. First, due to the vxB effect, electrons in the plasma layer are extracted and periodic ultrashort relativistic electron bunches are generated every half of a laser period. Second, strongly asymmetric Coulomb explosion of ions in the foil occurs due to the strong electrostatic charge separation, once the foil is burnt through. Followed by the laser accelerated electron bunch, the ion expansion in the forward direction occurs along the laser beam that is much stronger as compared to the backward direction.

  2. Density-functional calculation of effective Coulomb interactions in nonmetallic systems: Application to Mn in CdTe, CdS, and ZnO

    NASA Astrophysics Data System (ADS)

    Gunnarsson, O.; Postnikov, A. V.; Andersen, O. K.

    1989-11-01

    The effective Coulomb interaction U between the 3d electrons of Mn impurities in CdTe, CdS, and ZnO is calculated. The influence of the host on the renormalization of U is studied. It is shown that the screening due to charge transfer to the Mn atom is very efficient for Mn in CdTe, less efficient for Mn in CdS, and rather inefficient for ZnO. This is related to the increasing ionic character, which makes charge transfer to Mn increasingly difficult. The total effect of all charge-transfer processes, including charge transfer to the ligand atoms, is nevertheless substantial even for Mn in ZnO.

  3. Development of the Physical Activity Interactive Recall (PAIR) for Aboriginal children

    PubMed Central

    Lévesque, Lucie; Cargo, Margaret; Salsberg, Jon

    2004-01-01

    Background Aboriginal children in Canada are at increased risk for type 2 diabetes. Given that physical inactivity is an important modifiable risk factor for type 2 diabetes, prevention efforts targeting Aboriginal children include interventions to enhance physical activity involvement. These types of interventions require adequate assessment of physical activity patterns to identify determinants, detect trends, and evaluate progress towards intervention goals. The purpose of this study was to develop a culturally appropriate interactive computer program to self-report physical activity for Kanien'kehá:ka (Mohawk) children that could be administered in a group setting. This was an ancillary study of the ongoing Kahnawake Schools Diabetes Prevention Project (KSDPP). Methods During Phase I, focus groups were conducted to understand how children describe and graphically depict type, intensity and duration of physical activity. Sixty-six students (40 girls, 26 boys, mean age = 8.8 years, SD = 1.8) from four elementary schools in three eastern Canadian Kanien'kehá:ka communities participated in 15 focus groups. Children were asked to discuss and draw about physical activity. Content analysis of focus groups informed the development of a school-day and non-school-day version of the physical activity interactive recall (PAIR). In Phase II, pilot-tests were conducted in two waves with 17 and 28 children respectively to assess the content validity of PAIR. Observation, videotaping, and interviews were conducted to obtain children's feedback on PAIR content and format. Results Children's representations of activity type and activity intensity were used to compile a total of 30 different physical activity and 14 non-physical activity response choices with accompanying intensity options. Findings from the pilot tests revealed that Kanien'kehá:ka children between nine and 13 years old could answer PAIR without assistance. Content validity of PAIR was judged to be adequate

  4. Development of the Physical Activity Interactive Recall (PAIR) for Aboriginal children.

    PubMed

    Lévesque, Lucie; Cargo, Margaret; Salsberg, Jon

    2004-03-29

    BACKGROUND: Aboriginal children in Canada are at increased risk for type 2 diabetes. Given that physical inactivity is an important modifiable risk factor for type 2 diabetes, prevention efforts targeting Aboriginal children include interventions to enhance physical activity involvement. These types of interventions require adequate assessment of physical activity patterns to identify determinants, detect trends, and evaluate progress towards intervention goals. The purpose of this study was to develop a culturally appropriate interactive computer program to self-report physical activity for Kanien'kehá:ka (Mohawk) children that could be administered in a group setting. This was an ancillary study of the ongoing Kahnawake Schools Diabetes Prevention Project (KSDPP). METHODS: During Phase I, focus groups were conducted to understand how children describe and graphically depict type, intensity and duration of physical activity. Sixty-six students (40 girls, 26 boys, mean age = 8.8 years, SD = 1.8) from four elementary schools in three eastern Canadian Kanien'kehá:ka communities participated in 15 focus groups. Children were asked to discuss and draw about physical activity. Content analysis of focus groups informed the development of a school-day and non-school-day version of the physical activity interactive recall (PAIR). In Phase II, pilot-tests were conducted in two waves with 17 and 28 children respectively to assess the content validity of PAIR. Observation, videotaping, and interviews were conducted to obtain children's feedback on PAIR content and format. RESULTS: Children's representations of activity type and activity intensity were used to compile a total of 30 different physical activity and 14 non-physical activity response choices with accompanying intensity options. Findings from the pilot tests revealed that Kanien'kehá:ka children between nine and 13 years old could answer PAIR without assistance. Content validity of PAIR was judged to be adequate

  5. Exploring the separability of the three-body Coulomb problem in hyperspherical elliptic coordinates

    NASA Astrophysics Data System (ADS)

    Tolstikhin, Oleg I.; Matsuzawa, Michio

    2001-06-01

    An approximate symmetry of the three-body Coulomb problem which reveals itself via approximate separability of the hyperspherical adiabatic (HSA) eigenvalue problem in hyperspherical elliptic (HSE) coordinates (η,ξ) and thus is intimately related to the HSA approximation is discussed. The additional integral of motion responsible for this separability is specific to the Coulomb interaction and generalizes the Laplace-Runge-Lentz vector known from the two-body Coulomb problem and the integral of separation constant of the two-center Coulomb problem. In the zeroth approximation, this symmetry leads to a completely separable representation of the three-body wave function, where each state is labeled by a pair of HSE quantum numbers (nη,nξ) that generalize the spheroidal quantum numbers for diatomic molecules, on the one hand, and the Herrick-Lin quantum numbers for two-electron atoms, on the other. This approximation is illustrated by calculations for a number of three-body Coulomb systems for states with zero total angular momentum. Taking into account the nonadiabatic couplings as well as the nonseparable part of the Coulomb potential by mixing a few separable states permits one to obtain accurate results for systems with arbitrary masses and charges of particles and for a wide spectrum below the three-body breakup threshold.

  6. Study on the impact of pair production interaction on D-T controllable neutron density logging.

    PubMed

    Yu, Huawei; Zhang, Li; Hou, Boran

    2016-05-01

    This paper considers the effect of pair production on the precision of D-T controllable neutron source density logging. Firstly, the principle of the traditional density logging and pulsed neutron density logging are analyzed and then gamma ray cross sections as a function of energy for various minerals are compared. In addition, the advantageous areas of Compton scattering and pair production interactions on high-energy gamma ray pulse height spectrum and the errors of a controllable source density measurement are studied using a Monte Carlo simulation method. The results indicate that density logging mainly utilizes the Compton scattering of gamma rays, while the attenuation of neutron induced gamma rays and the precision of neutron gamma density measurements are affected by pair production interactions, particularly in the gamma rays with energy higher than 2MeV. By selecting 0.2-2MeV energy range and performing proper lithology correction, the effect of pair production can be eliminated effectively and the density measurement error can be rendered close to the precision of chemical source density logging. PMID:26945102

  7. Interactions in ion pairs of protic ionic liquids: Comparison with aprotic ionic liquids

    SciTech Connect

    Tsuzuki, Seiji; Shinoda, Wataru; Miran, Md. Shah; Kinoshita, Hiroshi; Yasuda, Tomohiro; Watanabe, Masayoshi

    2013-11-07

    The stabilization energies for the formation (E{sub form}) of 11 ion pairs of protic and aprotic ionic liquids were studied by MP2/6-311G{sup **} level ab initio calculations to elucidate the difference between the interactions of ions in protic ionic liquids and those in aprotic ionic liquids. The interactions in the ion pairs of protic ionic liquids (diethylmethylammonium [dema] and dimethylpropylammonium [dmpa] based ionic liquids) are stronger than those of aprotic ionic liquids (ethyltrimethylammonium [etma] based ionic liquids). The E{sub form} for the [dema][CF{sub 3}SO{sub 3}] and [dmpa][CF{sub 3}SO{sub 3}] complexes (−95.6 and −96.4 kcal/mol, respectively) are significantly larger (more negative) than that for the [etma][CF{sub 3}SO{sub 3}] complex (−81.0 kcal/mol). The same trend was observed for the calculations of ion pairs of the three cations with the Cl{sup −}, BF{sub 4}{sup −}, TFSA{sup −} anions. The anion has contact with the N–H bond of the dema{sup +} or dmpa{sup +} cations in the most stable geometries of the dema{sup +} and dmpa{sup +} complexes. The optimized geometries, in which the anions locate on the counter side of the cations, are 11.0–18.0 kcal/mol less stable, which shows that the interactions in the ions pairs of protic ionic liquids have strong directionality. The E{sub form} for the less stable geometries for the dema{sup +} and dmpa{sup +} complexes are close to those for the most stable etma{sup +} complexes. The electrostatic interaction, which is the major source of the attraction in the ion pairs, is responsible for the directionality of the interactions and determining the magnitude of the interaction energy. Molecular dynamic simulations of the [dema][TFSA] and [dmpa][TFSA] ionic liquids show that the N–H bonds of the cations have contact with the negatively charged (oxygen and nitrogen) atoms of TFSA{sup −} anion, while the strong directionality of the interactions was not suggested from the simulation

  8. Embodied social interaction constitutes social cognition in pairs of humans: A minimalist virtual reality experiment

    PubMed Central

    Froese, Tom; Iizuka, Hiroyuki; Ikegami, Takashi

    2014-01-01

    Scientists have traditionally limited the mechanisms of social cognition to one brain, but recent approaches claim that interaction also realizes cognitive work. Experiments under constrained virtual settings revealed that interaction dynamics implicitly guide social cognition. Here we show that embodied social interaction can be constitutive of agency detection and of experiencing another's presence. Pairs of participants moved their “avatars” along an invisible virtual line and could make haptic contact with three identical objects, two of which embodied the other's motions, but only one, the other's avatar, also embodied the other's contact sensor and thereby enabled responsive interaction. Co-regulated interactions were significantly correlated with identifications of the other's avatar and reports of the clearest awareness of the other's presence. These results challenge folk psychological notions about the boundaries of mind, but make sense from evolutionary and developmental perspectives: an extendible mind can offload cognitive work into its environment. PMID:24419102

  9. Molecular Interactions in 1-Ethyl-3-methylimidazolium Acetate Ion Pair: A Density Functional Study

    NASA Astrophysics Data System (ADS)

    Dhumal, Nilesh R.; Kim, Hyung J.; Kiefer, Johannes

    2009-08-01

    The density functional method is used to obtain the molecular structure, electron density topography, and vibrational frequencies of the ion pair 1-ethyl-3-methylimidazolium acetate. Different conformers are simulated on the basis of molecular interactions between the 1-ethyl-3-methylimidazolium cation and acetate anion. The lowest energy conformers exhibit strong C-H···O interionic interactions compared with other conformers. Characteristic vibrational frequencies of the ion pair and their shifts with respect to free ions are analyzed via the natural bond orbitals and difference electron density maps coupled with molecular electron density topology. Theoretically scaled vibrational frequencies are also compared with the spontaneous Raman scattering and attenuated total reflection infrared absorption measurements.

  10. The Isolated Interacting Galaxy Pair NGC 5426/27 (Arp 271)

    NASA Astrophysics Data System (ADS)

    Fuentes-Carrera, I.; Rosado, M.; Amram, P.; Dultzin-Hacyan, D.; Bernal, A.; Salo, H.; Laurikainen, E.; Cruz-González, I.; Le Coarer, E.

    2001-03-01

    The isolated interacting galaxy pair NGC 5426/27 (Arp 271) was observed using the scanning Fabry-Perot interferometer PUMA. The velocity field, various kinematical parameters and rotation curve for each galaxy were derived. We found a small bar-like structure in NGC 5426 and a severely distorted velocity field for NGC 5427. A range of possible masses was computed for each galaxy.

  11. Formation of chain structures in systems of charged grains interacting via isotropic pair potentials

    SciTech Connect

    Vaulina, O. S.; Lisina, I. I.; Koss, K. G.

    2013-05-15

    Conditions for the formation of chain structures of charged grains confined in the gravitational field by external electric fields are studied analytically and numerically. The relationships between the parameters of the pair interaction potential, the number of grains, and the electric field gradient in the trap are found. A criterion for the violation of stable equilibrium in a quasi-one-dimensional chain of grains and the formation of a new configuration in the system is proposed.

  12. Finite-N corrections to Vlasov dynamics and the range of pair interactions

    NASA Astrophysics Data System (ADS)

    Gabrielli, Andrea; Joyce, Michael; Morand, Jules

    2014-12-01

    We explore the conditions on a pair interaction for the validity of the Vlasov equation to describe the dynamics of an interacting N -particle system in the large N limit. Using a coarse graining in phase space of the exact Klimontovich equation for the N -particle system, we evaluate, neglecting correlations of density fluctuations, the scalings with N of the terms describing the corrections to the Vlasov equation for the coarse-grained one-particle phase space density. Considering a generic interaction with radial pair force F (r ) , with F (r ) ˜1 /rγ at large scales, and regulated to a bounded behavior below a "softening" scale ɛ , we find that there is an essential qualitative difference between the cases γ d , i.e., depending on the the integrability at large distances of the pair force. In the former case, the corrections to the Vlasov dynamics for a given coarse-grained scale are essentially insensitive to the softening parameter ɛ , while for γ >d the amplitude of these terms is directly regulated by ɛ , and thus by the small scale properties of the interaction. This corresponds to a simple physical criterion for a basic distinction between long-range (γ ≤d ) and short-range (γ >d ) interactions, different from the canonical one (γ ≤d +1 or γ >d +1 ) based on thermodynamic analysis. This alternative classification, based on purely dynamical considerations, is relevant notably to understanding the conditions for the existence of so-called quasistationary states in long-range interacting systems.

  13. Coulomb crystallization in classical and quantum systems

    NASA Astrophysics Data System (ADS)

    Bonitz, Michael

    2007-11-01

    Coulomb crystallization occurs in one-component plasmas when the average interaction energy exceeds the kinetic energy by about two orders of magnitude. A simple road to reach such strong coupling consists in using external confinement potentials the strength of which controls the density. This has been succsessfully realized with ions in traps and storage rings and also in dusty plasma. Recently a three-dimensional spherical confinement could be created [1] which allows to produce spherical dust crystals containing concentric shells. I will give an overview on our recent results for these ``Yukawa balls'' and compare them to experiments. The shell structure of these systems can be very well explained by using an isotropic statically screened pair interaction. Further, the thermodynamic properties of these systems, such as the radial density distribution are discussed based on an analytical theory [3]. I then will discuss Coulomb crystallization in trapped quantum systems, such as mesoscopic electron and electron hole plasmas in coupled layers [4,5]. These systems show a very rich correlation behavior, including liquid and solid like states and bound states (excitons, biexcitons) and their crystals. On the other hand, also collective quantum and spin effects are observed, including Bose-Einstein condensation and superfluidity of bound electron-hole pairs [4]. Finally, I consider Coulomb crystallization in two-component neutral plasmas in three dimensions. I discuss the necessary conditions for crystals of heavy charges to exist in the presence of a light component which typically is in the Fermi gas or liquid state. It can be shown that their exists a critical ratio of the masses of the species of the order of 80 [5] which is confirmed by Quantum Monte Carlo simulations [6]. Familiar examples are crystals of nuclei in the core of White dwarf stars, but the results also suggest the existence of other crystals, including proton or α-particle crystals in dense matter

  14. Cotunneling Drag Effect in Coulomb-Coupled Quantum Dots

    NASA Astrophysics Data System (ADS)

    Keller, A. J.; Lim, J. S.; Sánchez, David; López, Rosa; Amasha, S.; Katine, J. A.; Shtrikman, Hadas; Goldhaber-Gordon, D.

    2016-08-01

    In Coulomb drag, a current flowing in one conductor can induce a voltage across an adjacent conductor via the Coulomb interaction. The mechanisms yielding drag effects are not always understood, even though drag effects are sufficiently general to be seen in many low-dimensional systems. In this Letter, we observe Coulomb drag in a Coulomb-coupled double quantum dot and, through both experimental and theoretical arguments, identify cotunneling as essential to obtaining a correct qualitative understanding of the drag behavior.

  15. Application of Parallel Hybrid Algorithm in Massively Parallel GPGPU—The Improved Effective and Efficient Method for Calculating Coulombic Interactions in Simulations of Many Ions with SIMION

    NASA Astrophysics Data System (ADS)

    Saito, Kenichiro; Koizumi, Eiko; Koizumi, Hideya

    2012-09-01

    In our previous study, we introduced a new hybrid approach to effectively approximate the total force on each ion during a trajectory calculation in mass spectrometry device simulations, and the algorithm worked successfully with SIMION. We took one step further and applied the method in massively parallel general-purpose computing with GPU (GPGPU) to test its performance in simulations with thousands to over a million ions. We took extra care to minimize the barrier synchronization and data transfer between the host (CPU) and the device (GPU) memory, and took full advantage of the latency hiding. Parallel codes were written in CUDA C++ and implemented to SIMION via the user-defined Lua program. In this study, we tested the parallel hybrid algorithm with a couple of basic models and analyzed the performance by comparing it to that of the original, fully-explicit method written in serial code. The Coulomb explosion simulation with 128,000 ions was completed in 309 s, over 700 times faster than the 63 h taken by the original explicit method in which we evaluated two-body Coulomb interactions explicitly on one ion with each of all the other ions. The simulation of 1,024,000 ions was completed in 2650 s. In another example, we applied the hybrid method on a simulation of ions in a simple quadrupole ion storage model with 100,000 ions, and it only took less than 10 d. Based on our estimate, the same simulation is expected to take 5-7 y by the explicit method in serial code.

  16. Longitudinal multiparameter assay of lymphocyte interactions from onset by microfluidic cell pairing and culture.

    PubMed

    Dura, Burak; Servos, Mariah M; Barry, Rachel M; Ploegh, Hidde L; Dougan, Stephanie K; Voldman, Joel

    2016-06-28

    Resolving how the early signaling events initiated by cell-cell interactions are transduced into diverse functional outcomes necessitates correlated measurements at various stages. Typical approaches that rely on bulk cocultures and population-wide correlations, however, only reveal these relationships broadly at the population level, not within each individual cell. Here, we present a microfluidics-based cell-cell interaction assay that enables longitudinal investigation of lymphocyte interactions at the single-cell level through microfluidic cell pairing, on-chip culture, and multiparameter assays, and allows recovery of desired cell pairs by micromanipulation for off-chip culture and analyses. Well-defined initiation of interactions enables probing cellular responses from the very onset, permitting single-cell correlation analyses between early signaling dynamics and later-stage functional outcomes within same cells. We demonstrate the utility of this microfluidic assay with natural killer cells interacting with tumor cells, and our findings suggest a possible role for the strength of early calcium signaling in selective coordination of subsequent cytotoxicity and IFN-gamma production. Collectively, our experiments demonstrate that this new approach is well-suited for resolving the relationships between complex immune responses within each individual cell. PMID:27303033

  17. A Survey of Aspartate Phenylalanine and Glutamate Phenylalanine Interactions in the Protein Data Bank: Searching for Anion Pairs

    SciTech Connect

    Philip, Vivek M; Harris, Jason B; Adams, Rachel M; Nguyen, Don; Spires, Jeremy; Howell, Elizabeth E.; Hinde, Robert J

    2011-01-01

    Protein structures are stabilized using noncovalent interactions. In addition to the traditional noncovalent interactions, newer types of interactions are thought to be present in proteins. One such interaction, an anion pair, in which the positively charged edge of an aromatic ring interacts with an anion, forming a favorable anion quadrupole interaction, has been previously proposed [Jackson, M. R., et al. (2007) J. Phys. Chem. B111, 8242 8249]. To study the role of anion interactions in stabilizing protein structure, we analyzed pairwise interactions between phenylalanine (Phe) and the anionic amino acids, aspartate (Asp) and glutamate (Glu). Particular emphasis was focused on identification of Phe Asp or Glu pairs separated by less than 7 in the high-resolution, nonredundant Protein Data Bank. Simplifying Phe to benzene and Asp or Glu to formate molecules facilitated in silico analysis of the pairs. Kitaura Morokuma energy calculations were performed on roughly 19000 benzene formate pairs and the resulting energies analyzed as a function of distance and angle. Edgewise interactions typically produced strongly stabilizing interaction energies (2 to 7.3 kcal/mol), while interactions involving the ring face resulted in weakly stabilizing to repulsive interaction energies. The strongest, most stabilizing interactions were identified as preferentially occurring in buried residues. Anion pairs are found throughout protein structures, in helices as well as strands. Numerous pairs also had nearby cation interactions as well as potential stacking. While more than 1000 structures did not contain an anion pair, the 3134 remaining structures contained approximately 2.6 anion pairs per protein, suggesting it is a reasonably common motif that could contribute to the overall structural stability of a protein.

  18. An interaction scenario of the galaxy pair NGC 3893/96 (KPG 302): A single passage?

    SciTech Connect

    Gabbasov, R. F.; Rosado, M.; Klapp, J.

    2014-05-20

    Using the data obtained previously from Fabry-Perot interferometry, we study the orbital characteristics of the interacting pair of galaxies KPG 302 with the aim to estimate a possible interaction history, the conditions necessary for the spiral arm formation, and initial satellite mass. We found by performing N-body/smoothed particle hydrodynamics simulations of the interaction that a single passage can produce a grand design spiral pattern in less than 1 Gyr. Although we reproduce most of the features with the single passage, the required satellite to host mass ratio should be ∼1:5, which is not confirmed by the dynamical mass estimate made from the measured rotation curve. We conclude that a more realistic interaction scenario would require several passages in order to explain the mass ratio discrepancy.

  19. 1D Coulomb drag between coupled nanowires formed at oxide interfaces

    NASA Astrophysics Data System (ADS)

    Tang, Yuhe; Tomczyk, Michelle; Huang, Mengchen; Lee, Hyungwoo; Eom, Chang-Beom; Irvin, Patrick; Levy, Jeremy

    ``Coulomb drag'' is a transport phenomenon where Coulomb interaction between two close but electrically isolated conductors induces voltage in one conductor when an electric current is injected in the other conductor. It is a powerful approach to probe electronic correlations. Here we examine 1D electronic correlations in a proximally coupled nanowire system where two parallel nanowires are created with conductive atomic force microscopy at the LaAlO3/SrTiO3 interface. Coulomb drag measurements are made by injecting current into one wire (drive wire) and measuring the induced voltage in the other wire (drag wire). This geometry offers experimental insights into the interplay of electron pairing and superconductivity in reduced dimensions. We gratefully acknowledge financial support from DOE DE-SC0014417 (JL).

  20. Pairing interaction near a nematic quantum critical point of a three-band CuO2 model

    SciTech Connect

    Maier, Thomas A.; Scalapino, Douglas J.

    2014-11-21

    In this paper, we calculate the pairing interaction and the k dependence of the gap function associated with the nematic charge fluctuations of a CuO2 model.We find that the nematic pairing interaction is attractive for small momentum transfer and that it gives rise to d-wave pairing. Finally, as the doping p approaches a quantum critical point, the strength of this pairing increases and higher d-wave harmonics contribute to the k dependence of the superconducting gap function, reflecting the longer range nature of the nematic fluctuations.

  1. Pairing interaction near a nematic quantum critical point of a three-band CuO2 model

    DOE PAGESBeta

    Maier, Thomas A.; Scalapino, Douglas J.

    2014-11-21

    In this paper, we calculate the pairing interaction and the k dependence of the gap function associated with the nematic charge fluctuations of a CuO2 model.We find that the nematic pairing interaction is attractive for small momentum transfer and that it gives rise to d-wave pairing. Finally, as the doping p approaches a quantum critical point, the strength of this pairing increases and higher d-wave harmonics contribute to the k dependence of the superconducting gap function, reflecting the longer range nature of the nematic fluctuations.

  2. Emission of correlated electron pairs from solid surfaces

    NASA Astrophysics Data System (ADS)

    Gollisch, H.; Schwartzenberg, N. V.; Feder, R.

    2006-08-01

    Low-energy electron pairs, which are emitted from solid surfaces upon impact of a photon [ (γ,2e) process] or an electron [ (e,2e) process] carry information on the exchange and screened Coulomb interaction between the two electrons inside the solid. We present a method for calculating such correlated two-electron states as antisymmetrized products of two one-electron states coupled by a “correlation factor,” which depends upon the one-electron quantum numbers and the relative spatial coordinate. The resulting pair correlation functions are illustrated for the cases of two plane-wave electrons interacting via a bare and a screened Coulomb potential. Low-energy electron diffraction-type one-electron states are then coupled in this manner and employed as final pair states in calculations of (e,2e) and (γ,2e) reaction cross sections from the Cu(111) surface. For (e,2e) , the angular distributions calculated without and with Coulomb interaction U exhibit, for antiparallel spins, a distinct correlation hole. For parallel spins, a large hole, which is already present without U , is enhanced. The (γ,2e) distributions, which originate from the screened U inside the solid, have a large central region of enhanced intensity for antiparallel spins, out of which the exchange interaction carves a sizable hole. In all cases, the bare Coulomb repulsion on the way from the surface to the detectors reduces the intensity to zero for equal momenta of the two electrons.

  3. Pairing gaps in the Hartree-Fock-Bogoliubov theory with the Gogny D1S interaction

    NASA Astrophysics Data System (ADS)

    Robledo, L. M.; Bernard, R.; Bertsch, G. F.

    2012-12-01

    As part of a program to study odd-A nuclei in the Hartree-Fock-Bogoliubov (HFB) theory, we have developed a new calculational tool to find the HFB minima of odd-A nuclei based on the gradient method and using interactions of Gogny's form. The HFB minimization includes both time-even and time-odd fields in the energy functional, avoiding the commonly used “filling approximation”. Here we apply the method to calculate neutron pairing gaps in some representative isotope chains of spherical and deformed nuclei, namely the Z=8,50, and 82 spherical chains and the Z=62 and 92 deformed chains. We find that the gradient method is quite robust, permitting us to carry out systematic surveys involving many nuclei. We find that the time-odd field does not have large effect on the pairing gaps calculated with the Gogny D1S interaction. Typically, adding the T-odd field as a perturbation increases the pairing gap by 100 keV, but the re-minimization brings the gap back down. This outcome is very similar to results reported for the Skyrme family of nuclear energy density functionals. Comparing the calculated gaps with the experimental ones, we find that the theoretical errors have both signs implying that the D1S interaction has a reasonable overall strength. However, we find some systematic deficiencies comparing spherical and deformed chains and comparing the lighter chains with the heavier ones. The gaps for heavy spherical nuclei are too high, while those for deformed nuclei tend to be too low. The calculated gaps of spherical nuclei show hardly any A dependence, contrary to the data. Inclusion of the T-odd component of the interaction does not change these qualitative findings.

  4. End of Frustration: Catalytic Precision Polymerization with Highly Interacting Lewis Pairs.

    PubMed

    Knaus, Maximilian G M; Giuman, Marco M; Pöthig, Alexander; Rieger, Bernhard

    2016-06-22

    Herein we report on the catalytic polymerization of diverse Michael-type monomers with high precision by using simple but highly active combinations of phosphorus-containing Lewis bases and organoaluminum compounds. The interacting Lewis pair catalysts enable the control of molecular weight and microstructure of the produced polymers. The reactions show a linear Mn vs consumption plot thus proving a living type polymerization. The initiation has been investigated by end-group analysis with ESI mass spectrometric analysis. With these main-group element Lewis acid base pairs, it is not only possible to polymerize sterically demanding, functionalized as well as heteroatom containing monomers but also, for the first time, to catalytically polymerize extended Michael systems, like 4-vinylpyridine. PMID:27254134

  5. Lone-pairinteractions: analysis of the physical origin and biological implications.

    PubMed

    Novotný, Jan; Bazzi, Sophia; Marek, Radek; Kozelka, Jiří

    2016-07-28

    Lone-pair-π (lp-π) interactions have been suggested to stabilize DNA and protein structures, and to participate in the formation of DNA-protein complexes. To elucidate their physical origin, we have carried out a theoretical multi-approach analysis of two biologically relevant model systems, water-indole and water-uracil complexes, which we compared with the structurally similar chloride-tetracyanobenzene (TCB) complex previously shown to contain a strong charge-transfer (CT) binding component. We demonstrate that the CT component in lp-π interactions between water and indole/uracil is significantly smaller than that stabilizing the Cl(-)-TCB reference system. The strong lp(Cl(-))-π(TCB) orbital interaction is characterized by a small energy gap and an efficient lp-π* overlap. In contrast, in lp-π interactions between water and indole or uracil, the corresponding energy gap is larger and the overlap less efficient. As a result, water-uracil and water-indole interactions are weak forces composed by smaller contributions from all energy components: electrostatics, polarization, dispersion, and charge transfer. In addition, indole exhibits a negative electrostatic potential at its π-face, making lp-π interactions less favorable than O-Hπ hydrogen bonding. Consequently, some of the water-tryptophan contacts observed in X-ray structures of proteins and previously interpreted as lp-π interactions [Luisi, et al., Proteins, 2004, 57, 1-8], might in fact arise from O-Hπ hydrogen bonding. PMID:27411074

  6. DBBP: database of binding pairs in protein-nucleic acid interactions

    PubMed Central

    2014-01-01

    Background Interaction of proteins with other molecules plays an important role in many biological activities. As many structures of protein-DNA complexes and protein-RNA complexes have been determined in the past years, several databases have been constructed to provide structure data of the complexes. However, the information on the binding sites between proteins and nucleic acids is not readily available from the structure data since the data consists mostly of the three-dimensional coordinates of the atoms in the complexes. Results We analyzed the huge amount of structure data for the hydrogen bonding interactions between proteins and nucleic acids and developed a database called DBBP (DataBase of Binding Pairs in protein-nucleic acid interactions, http://bclab.inha.ac.kr/dbbp). DBBP contains 44,955 hydrogen bonds (H-bonds) of protein-DNA interactions and 77,947 H-bonds of protein-RNA interactions. Conclusions Analysis of the huge amount of structure data of protein-nucleic acid complexes is labor-intensive, yet provides useful information for studying protein-nucleic acid interactions. DBBP provides the detailed information of hydrogen-bonding interactions between proteins and nucleic acids at various levels from the atomic level to the residue level. The binding information can be used as a valuable resource for developing a computational method aiming at predicting new binding sites in proteins or nucleic acids. PMID:25474259

  7. Kinetics and fracture resistance of lithiated silicon nanostructure pairs controlled by their mechanical interaction

    SciTech Connect

    Lee, Seok Woo; Lee, Hyun -Wook; Ryu, Ill; Nix, William D.; Gao, Huajian; Cui, Yi

    2015-06-26

    Following an explosion of studies of silicon as a negative electrode for Li-ion batteries, the anomalous volumetric changes and fracture of lithiated single Si particles have attracted significant attention in various fields, including mechanics. However, in real batteries, lithiation occurs simultaneously in clusters of Si in a confined medium. Hence, understanding how the individual Si structures interact during lithiation in a closed space is necessary. Here, we demonstrate physical and mechanical interactions of swelling Si structures during lithiation using well-defined Si nanopillar pairs. Ex situ SEM and in situ TEM studies reveal that compressive stresses change the reaction kinetics so that preferential lithiation occurs at free surfaces when the pillars are mechanically clamped. Such mechanical interactions enhance the fracture resistance of lithiated Si by lessening the tensile stress concentrations in Si structures. Lastly, this study will contribute to improved design of Si structures at the electrode level for high-performance Li-ion batteries.

  8. Photoassociation of a cold-atom-molecule pair: Long-range quadrupole-quadrupole interactions

    SciTech Connect

    Lepers, M.; Dulieu, O.; Kokoouline, V.

    2010-10-15

    The general formalism of the multipolar expansion of electrostatic interactions is applied to the calculation of the potential energy between an excited atom (without fine structure) and a ground-state diatomic molecule at large mutual separations. Both partners exhibit a permanent quadrupole moment so that their mutual long-range interaction is dominated by a quadrupole-quadrupole term, which is attractive enough to bind trimers. Numerical results are given for an excited Cs(6{sup 2}P) atom and a ground-state Cs{sub 2} molecule. The prospects for achieving photoassociation of a cold-atom-dimer pair are thus discussed and found promising. The formalism can be generalized to the long-range interaction between molecules to investigate the formation of cold tetramers.

  9. The influence of arene-ring size on stacking interaction with canonical base pairs

    NASA Astrophysics Data System (ADS)

    Formánek, Martin; Burda, Jaroslav V.

    2014-04-01

    Stacking interactions between aromatic molecules (benzene, p-cymene, biphenyl, and di- and tetra-hydrogen anthracene) and G.C and A.T canonical Watson-Crick (WC) base pairs are explored. Two functionals with dispersion corrections: ω-B97XD and B3LYP-D3 are used. For a comparison also the MP2 and B3LYP-D3/PCM methods were used for the most stable p-cymene…WC geometries. It was found that the stacking interaction increases with the size of π-conjugation system. Its extent is in agreement with experimental finding on anticancer activity of Ru(II) piano-stool complexes where intercalation of these aromatic molecules should play an important role. The explored structures are considered as ternary system so that decomposition of the interaction energy to pairwise and non-additivity contributions is also examined.

  10. Kinetics and fracture resistance of lithiated silicon nanostructure pairs controlled by their mechanical interaction

    PubMed Central

    Lee, Seok Woo; Lee, Hyun-Wook; Ryu, Ill; Nix, William D.; Gao, Huajian; Cui, Yi

    2015-01-01

    Following an explosion of studies of silicon as a negative electrode for Li-ion batteries, the anomalous volumetric changes and fracture of lithiated single Si particles have attracted significant attention in various fields, including mechanics. However, in real batteries, lithiation occurs simultaneously in clusters of Si in a confined medium. Hence, understanding how the individual Si structures interact during lithiation in a closed space is necessary. Here, we demonstrate physical and mechanical interactions of swelling Si structures during lithiation using well-defined Si nanopillar pairs. Ex situ SEM and in situ TEM studies reveal that compressive stresses change the reaction kinetics so that preferential lithiation occurs at free surfaces when the pillars are mechanically clamped. Such mechanical interactions enhance the fracture resistance of lithiated Si by lessening the tensile stress concentrations in Si structures. This study will contribute to improved design of Si structures at the electrode level for high-performance Li-ion batteries. PMID:26112834