Globally Coupled Chaotic Maps with Constant Force

International Nuclear Information System (INIS)

Li Jinghui

2008-01-01

We investigate the motion of the globally coupled maps (logistic map) with a constant force. It is shown that the constant force can cause multi-synchronization for the globally coupled chaotic maps studied by us.

Modification of interlayer exchange coupling in Fe/V/Fe trilayers using hydrogen

Energy Technology Data Exchange (ETDEWEB)

Skoryna, J., E-mail: jskoryna@ifmpan.poznan.pl [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17 St., 60-179 Poznań (Poland); Marczyńska, A. [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17 St., 60-179 Poznań (Poland); Lewandowski, M. [NanoBioMedical Centre, Adam Mickiewicz University, Umultowska 85 St., 61-614 Poznań (Poland); Smardz, L. [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17 St., 60-179 Poznań (Poland)

2015-10-05

Highlights: • Magnetic films and multilayers. • Thin films. • Hydrogen absorbing materials. • Magnetic measurements. • Exchange coupling. - Abstract: Fe/V/Fe trilayers with constant-thickness Fe and step-like wedged V sublayers were prepared at room temperature using UHV magnetron sputtering. The bottom Fe layer grows onto oxidised Si(1 0 0) substrate and shows relatively high coercivity. The top Fe layer grows on vanadium spacer and shows considerably lower coercivity. The planar growth of the Fe and V sublayers was confirmed in-situ by X-ray photoelectron spectroscopy. Results show that the Fe sublayers are weakly exchange coupled for d{sub V} > 1.4 nm. Results on the coercivity studies as a function of the V interlayer thickness show near d{sub V} ∼ 1.95 nm (∼2.45 nm) weak antiferromagnetic (ferromagnetic) coupling, respectively. The hydrogenation of the Fe/V/Fe trilayers leads to increase of the strength of the ferromagnetic interlayer exchange coupling.

Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

Science.gov (United States)

Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

2011-11-14

We have recently developed a methodology for the calculation of exchange coupling constants J in weakly interacting polynuclear metal clusters. The method is based on unrestricted and restricted second order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) and is here applied to eight binuclear copper systems. Comparison of the SF-CV(2)-DFT results with experiment and with results obtained from other DFT and wave function based methods has been made. Restricted SF-CV(2)-DFT with the BH&HLYP functional yields consistently J values in excellent agreement with experiment. The results acquired from this scheme are comparable in quality to those obtained by accurate multi-reference wave function methodologies such as difference dedicated configuration interaction and the complete active space with second-order perturbation theory. © 2011 American Institute of Physics

Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory

International Nuclear Information System (INIS)

Cauchy, Thomas; Ruiz, Eliseo; Alvarez, Santiago

2006-01-01

Theoretical methods based on density functional theory have been employed to analyze the exchange interactions in an Fe 6 complex. The calculated exchange coupling constants are consistent with an S=5 ground state and agree well with those reported previously for other Fe III polynuclear complexes. Ferromagnetic interactions may appear through exchange pathways formed by two bridging hydroxo or oxo ligands

Renormalization group equations with multiple coupling constants

International Nuclear Information System (INIS)

Ghika, G.; Visinescu, M.

1975-01-01

The main purpose of this paper is to study the renormalization group equations of a renormalizable field theory with multiple coupling constants. A method for the investigation of the asymptotic stability is presented. This method is applied to a gauge theory with Yukawa and self-quartic couplings of scalar mesons in order to find the domains of asymptotic freedom. An asymptotic expansion for the solutions which tend to the origin of the coupling constants is given

Sensitivity of molecular vibrational dynamics to energy exchange rate constants

International Nuclear Information System (INIS)

Billing, G D; Coletti, C; Kurnosov, A K; Napartovich, A P

2003-01-01

The sensitivity of molecular vibrational population dynamics, governing the CO laser operated in fundamental and overtone transitions, to vibration-to-vibration rate constants is investigated. With this aim, three rate constant sets have been used, differing in their completeness (i.e. accounting for single-quantum exchange only, or for multi-quantum exchange with a limited number of rate constants obtained by semiclassical calculations, and, finally, with an exhaustive set of rate constants including asymmetric exchange processes, as well) and in the employed interaction potential. The most complete set among these three is introduced in this paper. An existing earlier kinetic model was updated to include the latter new data. Comparison of data produced by kinetic modelling with the above mentioned sets of rate constants shows that the vibrational distribution function, and, in particular, the CO overtone laser characteristics, are very sensitive to the choice of the model. The most complete model predicts slower evolution of the vibrational distribution, in qualitative agreement with experiments

Coupling constants deduced for the resonances in kaon photo-production

International Nuclear Information System (INIS)

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

2004-01-01

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

Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide

DEFF Research Database (Denmark)

Kjær, Hanna; Nielsen, Monia R.; Pagola, Gabriel I.

2012-01-01

In this paper we present the so far most extended investigation of the calculation of the coupling constant polarizability of a molecule. The components of the coupling constant polarizability are derivatives of the NMR indirect nuclear spin-spin coupling constant with respect to an external elec...

Strong coupling constant extraction from high-multiplicity Z +jets observables

Science.gov (United States)

Johnson, Mark; Maître, Daniel

2018-03-01

We present a strong coupling constant extraction at next-to-leading order QCD accuracy using ATLAS Z +2 ,3,4 jets data. This is the first extraction using processes with a dependency on high powers of the coupling constant. We obtain values of the strong coupling constant at the Z mass compatible with the world average and with uncertainties commensurate with other next-to-leading order extractions at hadron colliders. Our most conservative result for the strong coupling constant is αS(MZ)=0.117 8-0.0043+0.0051 .

The holographic dictionary for Beta functions of multi-trace coupling constants

Energy Technology Data Exchange (ETDEWEB)

Aharony, Ofer [Department of Particle Physics and Astrophysics,Weizmann Institute of Science, Rehovot 7610001 (Israel); Gur-Ari, Guy [Department of Particle Physics and Astrophysics,Weizmann Institute of Science, Rehovot 7610001 (Israel); Stanford Institute for Theoretical Physics, Stanford University, Stanford, California 94305 (United States); Klinghoffer, Nizan [Department of Particle Physics and Astrophysics,Weizmann Institute of Science, Rehovot 7610001 (Israel)

2015-05-06

Field theories with weakly coupled holographic duals, such as large N gauge theories, have a natural separation of their operators into ‘single-trace operators’ (dual to single-particle states) and ‘multi-trace operators’ (dual to multi-particle states). There are examples of large N gauge theories where the beta functions of single-trace coupling constants all vanish, but marginal multi-trace coupling constants have non-vanishing beta functions that spoil conformal invariance (even when all multi-trace coupling constants vanish). The holographic dual of such theories should be a classical solution in anti-de Sitter space, in which the boundary conditions that correspond to the multi-trace coupling constants depend on the cutoff scale, in a way that spoils conformal invariance. We argue that this is realized through specific bulk coupling constants that lead to a running of the multi-trace coupling constants. This fills a missing entry in the holographic dictionary.

Long-range carbon-proton spin-spin coupling constants in conformational analysis

International Nuclear Information System (INIS)

Spoormaker, T.

1979-01-01

The author has collected a reliable set of data on long range 13 C- 1 H coupling constants in aliphatic compounds and developed the use of long range 13 C- 1 H coupling constants as a tool in the conformational analysis of aliphatic compounds. An empirical determination of the torsion angle dependence of the vicinal 13 C- 1 H coupling constant for model compounds is described and the dependence of long range 13 C- 1 H coupling constants on the electronegativity of substituents attached to the coupling pathway reported for the monohalogen substituted ethanes and propanes. The electronegativity dependence of the vicinal 13 C- 1 H coupling was studied in monosubstituted propanes whose substituents are elements from the first row of the periodic table and it is shown that the vicinal 13 C- 1 H coupling constant in aliphatic systems is a constitutive property. The geminal 13 C- 1 H coupling constants in ethyl, isopropyl and tert-butyl compounds, which have been substituted by an element of the first row of the periodic table or a haline atom, are reported and the influence of electronegative substituents on the vicinal 13 C- 1 H coupling constants in the individual rotamers of 13 CH 3 -C(X)H-C(Y)H- 1 H fragments discussed. The application of long range 13 C- 1 H coupling constants to the conformational analysis of CMP-N-Acetylneuraminic acid and 2,6-dichloro-1,4-oxathiane is described. (Auth.)

Behaviour of coupling constants at high temperature in supersymmetric theories

International Nuclear Information System (INIS)

Swee Ping Chia.

1986-04-01

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

Coupling constants (Tdn) and (Td*n) for local potentials

International Nuclear Information System (INIS)

Belyaev, V.B.; Irgaziev, B.F.; Orlov, Yu.V.

1976-01-01

The coupling constants (Tdn) and (Td*n) are found solving the Faddeev equations with local potentials. It is shown that the polinomial extrapolation of the wave function to the nonphysical region of the variable Q 2 turns not to be sure for determination of the coupling constants

Determination of the π3He3H coupling constant

International Nuclear Information System (INIS)

Nichitiu, F.; Sapozhnikov, M.G.

1977-01-01

Despersion relations for the real part of the antisymmetric amplitude of the π +-3 He scattering have been used in order to determine the π 3 He 3 H coupling constant. The coupling constant value determined by this method is larger than the elementary pion-nucleon coupling constant, but is in good agreement with the value obtained by another method. The obtained value is f 2 sub(π 3 He 3 H) = 0.12+-0.01. Shown is the importance of using the Coulomb corrections for dispersion relation calculations because the value of π 3 He 3 H coupling constant obtained with corrected total cross sections is larger by about 0.014 than the one obtained without these corrections. The best energy ranges for future π 3 He experiments are commented

/sup 13/C-/sup 13/C spin-spin coupling constants in structural investigations. V. The direct carbon-carbon coupling constants in the vinyl group

Energy Technology Data Exchange (ETDEWEB)

Krivdin, L.B.; Shcherbakov, V.V.; Kalabin, G.A.

1988-03-10

The direct spin-spin coupling constants in the vinyl group were measured in 100 mono-substituted ethylene derivatives. The inductive effect of the substituent was found to be the major factor in the variation of this constant and, in some cases, the stereospecific effect of the unshared electron pairs of heteratoms makes a significant contribution to the /sup 13/C-/sup 13/C coupling constants.

Spin Quantum Tunneling via Entangled States in a Dimer of Exchange-Coupled Single-Molecule Magnets

Science.gov (United States)

Tiron, R.; Wernsdorfer, W.; Foguet-Albiol, D.; Aliaga-Alcalde, N.; Christou, G.

2003-11-01

A new family of supramolecular, antiferromagnetically exchange-coupled dimers of single-molecule magnets (SMMs) has recently been reported. Each SMM acts as a bias on its neighbor, shifting the quantum tunneling resonances of the individual SMMs. Hysteresis loop measurements on a single crystal of SMM dimers have now established quantum tunneling of the magnetization via entangled states of the dimer. This shows that the dimer really does behave as a quantum mechanically coupled dimer, and also allows the measurement of the longitudinal and transverse superexchange coupling constants.

Mimicking the cosmological constant: Constant curvature spherical solutions in a nonminimally coupled model

International Nuclear Information System (INIS)

Bertolami, Orfeu; Paramos, Jorge

2011-01-01

The purpose of this study is to describe a perfect fluid matter distribution that leads to a constant curvature region, thanks to the effect of a nonminimal coupling. This distribution exhibits a density profile within the range found in the interstellar medium and an adequate matching of the metric components at its boundary. By identifying this constant curvature with the value of the cosmological constant and superimposing the spherical distributions arising from different matter sources throughout the universe, one is able to mimic a large-scale homogeneous cosmological constant solution.

Calculation of the Green functions by the coupling constant dispersion relations

International Nuclear Information System (INIS)

Bogomalny, E.B.

1977-01-01

The discontinuities of the Green functions on the cut in the complex plane of the coupling constant are calculated by the steepest descent method. The saddle points are given by the solutions of the classical field equations at those values of the coupling constant for which the classical theory has no ground state. The Green functions at the physical values of the coupling constant are determined by dispersion relations. (Auth.)

A density functional theory study of the magnetic exchange coupling in dinuclear manganese(II) inverse crown structures.

Science.gov (United States)

Vélez, Ederley; Alberola, Antonio; Polo, Víctor

2009-12-17

The magnetic exchange coupling constants between two Mn(II) centers for a set of five inverse crown structures have been investigated by means of a methodology based on broken-symmetry unrestricted density functional theory. These novel and highly unstable compounds present superexchange interactions between two Mn centers, each one with S = 5/2 through anionic "guests" such as oxygen, benzene, or hydrides or through the cationic ring formed by amide ligands and alkali metals (Na, Li). Magnetic exchange couplings calculated at B3LYP/6-31G(d,p) level yield strong antiferromagnetic couplings for compounds linked via an oxygen atom or hydride and very small antiferromagnetic couplings for those linked via a benzene molecule, deprotonated in either 1,4- or 1,3- positions. Analysis of the magnetic orbitals and spin polarization maps provide an understanding of the exchange mechanism between the Mn centers. The dependence of J with respect to 10 different density functional theory potentials employed and the basis set has been analyzed.

Oscillatory exchange coupling in magnetic molecules

International Nuclear Information System (INIS)

Sevincli, H; Senger, R T; Durgun, E; Ciraci, S

2007-01-01

Recently, first-principles calculations based on the spin-dependent density functional theory (DFT) have revealed that the magnetic ground state of a finite linear carbon chain capped by two transition metal (TM) atoms alternates between ferromagnetic and antiferromagnetic configurations depending on the number of carbon atoms. The character of indirect exchange coupling in this nanoscale, quasi-zero-dimensional system is different from those analogous extended structures consisting of magnetic layers separated by a non-magnetic spacer (or magnetic impurities in a non-magnetic host material) and a formulation based on an atomic picture is needed. We present a tight-binding model which provides a theoretical framework to the underlying mechanism of the exchange coupling in molecular structures. The model calculations are capable of reproducing the essential features of the DFT results for the indirect exchange coupling and the atomic magnetic moments in the TM-C n -TM structures as functions of the number of carbon atoms. In nanostructures consisting of a few atoms the concepts of extended wavefunctions and the band theory lose their validity, and hence the oscillatory exchange coupling turns out to be a consequence of quantum interference effects due to the spin-dependent onsite and hopping energies

How precisely can the difference method determine the $\\pi$NN coupling constant?

CERN Document Server

Loiseau, B

2000-01-01

The Coulomb-like backward peak of the neutron-proton scattering differentialcross section is due to one-pion exchange. Extrapolation to the pion pole ofprecise data should allow to obtain the value of the charged pion-nucleoncoupling constant. This was classically attempted by the use of a smoothphysical function, the Chew function, built from the cross section. To improveaccuracy of such an extrapolation one has introduced a difference method. Itconsists of extrapolating the difference between the Chew function based onexperimental data and that built from a model where the pion-nucleon couplingis exactly known. Here we cross-check to which precision can work this novelextrapolation method by applying it to differences between models and betweendata and models. With good reference models and for the 162 MeV neutron-protonUppsala single energy precise data with a normalisation error of 2.3 , thevalue of the charged pion-nucleon coupling constant is obtained with anaccuracy close to 1.8

Micromagnetic simulation of exchange coupled ferri-/ferromagnetic heterostructures

Energy Technology Data Exchange (ETDEWEB)

Oezelt, Harald, E-mail: harald.oezelt@fhstp.ac.at [Industrial Simulation, St. Pölten University of Applied Sciences, Matthias Corvinus-Straße 15, A-3100 St. Pölten (Austria); Kovacs, Alexander; Reichel, Franz; Fischbacher, Johann; Bance, Simon [Industrial Simulation, St. Pölten University of Applied Sciences, Matthias Corvinus-Straße 15, A-3100 St. Pölten (Austria); Gusenbauer, Markus [Center for Integrated Sensor Systems, Danube University Krems, Viktor Kaplan-Straße 2, A-2700 Wiener Neustadt (Austria); Schubert, Christian; Albrecht, Manfred [Institute of Physics, Chemnitz University of Technology, Reichenhainer Straße 70, D-09126 Chemnitz (Germany); Institute of Physics, University of Augsburg, Universitätsstraße 1, D-86159 Augsburg (Germany); Schrefl, Thomas [Industrial Simulation, St. Pölten University of Applied Sciences, Matthias Corvinus-Straße 15, A-3100 St. Pölten (Austria); Center for Integrated Sensor Systems, Danube University Krems, Viktor Kaplan-Straße 2, A-2700 Wiener Neustadt (Austria)

2015-05-01

Exchange coupled ferri-/ferromagnetic heterostructures are a possible material composition for future magnetic storage and sensor applications. In order to understand the driving mechanisms in the demagnetization process, we perform micromagnetic simulations by employing the Landau–Lifshitz–Gilbert equation. The magnetization reversal is dominated by pinning events within the amorphous ferrimagnetic layer and at the interface between the ferrimagnetic and the ferromagnetic layer. The shape of the computed magnetization reversal loop corresponds well with experimental data, if a spatial variation of the exchange coupling across the ferri-/ferromagnetic interface is assumed. - Highlights: • We present a model for exchange coupled ferri-/ferromagnetic heterostructures. • We incorporate the microstructural features of the amorphous ferrimagnet. • A distribution of interface exchange coupling is assumed to fit experimental data. • The reversal is dominated by pinning within the ferrimagnet and at the interface.

Exchange bias in nearly perpendicularly coupled ferromagnetic/ferromagnetic system

International Nuclear Information System (INIS)

Bu, K.M.; Kwon, H.Y.; Oh, S.W.; Won, C.

2012-01-01

Exchange bias phenomena appear not only in ferromagnetic/antiferromagnetic systems but also in ferromagnetic/ferromagnetic systems in which two layers are nearly perpendicularly coupled. We investigated the origin of the symmetry-breaking mechanism and the relationship between the exchange bias and the system's energy parameters. We compared the results of computational Monte Carlo simulations with those of theoretical model calculation. We found that the exchange bias exhibited nonlinear behaviors, including sign reversal and singularities. These complicated behaviors were caused by two distinct magnetization processes depending on the interlayer coupling strength. The exchange bias reached a maximum at the transition between the two magnetization processes. - Highlights: ► Exchange bias phenomena are found in perpendicularly coupled F/F systems. ► Exchange bias exhibits nonlinear behaviors, including sign reversal and singularities. ► These complicated behaviors were caused by two distinct magnetization processes. ► Exchange bias reached a maximum at the transition between the two magnetization processes. ► We established an equation to maximize the exchange bias in perpendicularly coupled F/F system.

Running couplings and operator mixing in the gravitational corrections to coupling constants

International Nuclear Information System (INIS)

Anber, Mohamed M.; Donoghue, John F.; El-Houssieny, Mohamed

2011-01-01

The use of a running coupling constant in renormalizable theories is well known, but the implementation of this idea for effective field theories with a dimensional coupling constant is, in general, less useful. Nevertheless, there are multiple attempts to define running couplings, including the effects of gravity, with varying conclusions. We sort through many of the issues involved, most particularly the idea of operator mixing and also the kinematics of crossing, using calculations in Yukawa and λφ 4 theories as illustrative examples. We remain in the perturbative regime. In some theories with a high permutation symmetry, such as λφ 4 , a reasonable running coupling can be defined. However, in most cases, such as Yukawa and gauge theories, a running coupling fails to correctly account for the energy dependence of the interaction strength. As a by-product we also contrast on-shell and off-shell renormalization schemes and show that operators which are normally discarded, such as those that vanish by the equations of motion, are required for off-shell renormalization of effective field theories. Our results suggest that the inclusion of gravity in the running of couplings is not useful or universal in the description of physical processes.

The (φ4)3+1 theory with infinitesimal bare coupling constants

International Nuclear Information System (INIS)

Yotsuyanagi, I.

1987-01-01

We study the (φ 4 ) 3+1 theory by means of a variational method improved with a BCS-type vacuum state. We examine the theory with both negative and positive infinitesimal bare coupling constants, where the theory has been suggested to exist nontrivially and stably in the infinite ultraviolet cutoff limit. When the cutoff is sent to infinity, we find the instability of the vacuum energy at the end point value of the variational parameter in the case of the negative bare coupling constant. For the positive bare coupling constant, we can renormalize the vacuum energy without using the extremal condition with respect to the variational mass parameter. We do not find an instability for the whole range of parameters including the end point. We still have a possibility that the theory with this bare coupling constant is nontrivial and stable. (orig.)

Spectra of magnetic chain graphs: coupling constant perturbations

Czech Academy of Sciences Publication Activity Database

Exner, Pavel; Manko, S. S.

2015-01-01

Roč. 48, č. 12 (2015), s. 125302 ISSN 1751-8113 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : quantum graph * magnetic field * coupling constant perturbation * eigenvalues in gaps * weak coupling Subject RIV: BE - Theoretical Physics Impact factor: 1.933, year: 2015

gsub(ωrhoπ) coupling constant from QCD sum rules

International Nuclear Information System (INIS)

Eletsky, V.L.; Ioffe, B.L.; Kogan, Ya.I.

1982-01-01

QCD sum rules for the vertex function of two vector and one axial vector currents are used to calculate the gsub(ωrhoπ) coupling constant (where gsub(ωrhoπ) is a transition coupling constant for ω → rhoπ process). The obtained value, gsub(ωrhoπ) approximately 17 GeV -1 is in a good agreement with experimental data

Signatures of van der Waals binding: A coupling-constant scaling analysis

Science.gov (United States)

Jiao, Yang; Schröder, Elsebeth; Hyldgaard, Per

2018-02-01

The van der Waals (vdW) density functional (vdW-DF) method [Rep. Prog. Phys. 78, 066501 (2015), 10.1088/0034-4885/78/6/066501] describes dispersion or vdW binding by tracking the effects of an electrodynamic coupling among pairs of electrons and their associated exchange-correlation holes. This is done in a nonlocal-correlation energy term Ecnl, which permits density functional theory calculation in the Kohn-Sham scheme. However, to map the nature of vdW forces in a fully interacting materials system, it is necessary to also account for associated kinetic-correlation energy effects. Here, we present a coupling-constant scaling analysis, which permits us to compute the kinetic-correlation energy Tcnl that is specific to the vdW-DF account of nonlocal correlations. We thus provide a more complete spatially resolved analysis of the electrodynamical-coupling nature of nonlocal-correlation binding, including vdW attraction, in both covalently and noncovalently bonded systems. We find that kinetic-correlation energy effects play a significant role in the account of vdW or dispersion interactions among molecules. Furthermore, our mapping shows that the total nonlocal-correlation binding is concentrated to pockets in the sparse electron distribution located between the material fragments.

Calculation of exchange constants in manganese ferrite (MnFe2O4)

International Nuclear Information System (INIS)

Zuo Xu; Barbiellini, Bernardo; Vittoria, Carmine

2004-01-01

The exchange constants and electronic structure of manganese ferrite (MnFe 2 O 4 ) were calculated using Becke's density functional. The total exchange energy consists of Hartree-Fock (HF) and Becke's density functional terms. We introduced one parameter w as the weight of HF's contribution. We also introduced a parameter α to scale the radial part of the 3d wave functions of Fe 3+ ions. By varying w and α the calculated exchange constants were quantitatively fitted to the experimental values of a spinel ferrite for the first time. Direct (d-d) and indirect (d-p-d) hopping are controlled by the parameters w and α

The influence of temperature and P/P0 upon cationic exchange constants

International Nuclear Information System (INIS)

Blanc, P.; Vieillard, P.; Gailhanou, H.; Gaboreau, S.; Gaucher, E.C.; Giffaut, E.

2010-01-01

Document available in extended abstract form only. The knowledge of thermodynamic properties of clay minerals forming clay materials is important in the context of a disposal within clayey formations (Callovo-Oxfordian argillite) or for clayey barriers. Different experiments have been previously performed concerning the long term behavior of clay materials, indicating that strong transformations are influenced by the alkaline solutions issued from the cementitious materials. But the first stages of the transformations affect the hydration and exchange capacity of the mineral, which are closely related to their retention properties. This work aims at assessing the influence of temperature and relative humidity upon the thermodynamic functions related to cationic exchange and hydration reactions. It is carried out within the framework of the Thermochimie project, aiming at defining a consistent thermodynamic database for modeling purposes. This work is an extension of the thermodynamic of hydration study carried out by Vieillard et al. (2010). Using the same, regular, solid solution model developed by the authors, we first consider the influence of temperature on the hydration reaction by expressing the hydration constant LogK hyd (T) according to the enthalpy and entropy of hydration and to the gas constant. Predicted isotherms are then compared with experimental data acquired on the MX80 smectite at 40, 60, 75, 90 and 100 deg. C. We now consider a cationic exchange reaction between cations A+ and B+, with z cations per mole of smectite and y2 and y1 mole of water per mole of smectite for A and B end members, respectively. The exchange constant LogK A/B , for a given temperature and relative humidity, is expressed as a function of the difference between anhydrous end members, and of the difference between anhydrous end-members activities. A comparison with room temperature exchange constants derived from experiments suggests that discrepancies are related to

Coupling-constant flows and dynamical symmetry breaking

International Nuclear Information System (INIS)

Yamagishi, H.

1981-01-01

The Coleman-Weinberg theory is reformulated in terms of flows in coupling-constant space. It is shown that the existence of dynamical symmetry breaking is governed essentially by the b functions. An application is made to the massless Weinberg-Salam model

Interlayer exchange coupling, dipolar coupling and magnetoresistance in Fe/MgO/Fe trilayers with a subnanometer MgO barrier

Energy Technology Data Exchange (ETDEWEB)

Kozioł-Rachwał, A. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); National Institute of Advanced Industrial Science and Technology, Spintronics Research Center, Tsukuba, Ibaraki 305-8568 (Japan); Skowroński, W.; Frankowski, M. [AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Chęciński, J. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Ziętek, S.; Rzeszut, P. [AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Ślęzak, M.; Matlak, K.; Ślęzak, T. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); Stobiecki, T. [AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Korecki, J. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, ul. Niezapominajek 8, 30-239 Kraków (Poland)

2017-02-15

Fe/MgO/Fe trilayers with a subnanometer MgO tunnel barrier were grown by molecular beam epitaxy. Longitudinal magnetooptic Kerr effect measurements confirmed the existence of the antiferromagnetic interlayer exchange coupling (IEC) between the Fe layers for 2 Åcoupling was enhanced for the trilayer grown on a homoepitaxial MgO buffer layer, and its IEC constant was estimated to be −3.3 erg/cm{sup 2} at a MgO thickness of 2.7 Å. After magnetic characterization, the sample was patterned into circular-shaped pillars with diameters ranging from 200 nm to 520 nm. We showed that the dipolar coupling that appeared after the nanofabrication process modified the effective coupling between layers, and we determined dependence of the dipolar coupling on the pillar diameter. Finally, magnetoresistance (MR) was measured as a function of MgO thickness (d{sub MgO}), and a non-zero MR was found for the MgO as thin as 3.4 Å. Extrapolation of the MR (d{sub MgO}) dependence to MR=0 allowed us to determine the length of the pinholes in our sample, which was estimated to be (3.2±0.5) Å. - Highlights: • Strong antiferromagnetic (AFM) interlayer exchange coupling (IEC) between Fe layers in Fe/MgO/Fe. • After nanofabrication the effective AFM IEC is enhanced due to the dipolar coupling. • The dipolar coupling that appeared after the nanofabrication process modified the effective coupling between layers. • Non-zero magnetoresistance values registered for the Fe/MgO/Fe trilayers with the MgO spacers as thin as 3.4 Å.

Prediction of ion-exchange column breakthrough curves by constant-pattern wave approach.

Science.gov (United States)

Lee, I-Hsien; Kuan, Yu-Chung; Chern, Jia-Ming

2008-03-21

The release of heavy metals from industrial wastewaters represents one of major threats to environment. Compared with chemical precipitation method, fixed-bed ion-exchange process can effectively remove heavy metals from wastewaters and generate no hazardous sludge. In order to design and operate fixed-bed ion-exchange processes successfully, it is very important to understand the column dynamics. In this study, the column experiments for Cu2+/H+, Zn2+/H+, and Cd2+/H+ systems using Amberlite IR-120 were performed to measure the breakthrough curves under varying operating conditions. The experimental results showed that total cation concentration in the mobile-phase played a key role on the breakthrough curves; a higher feed concentration resulted in an earlier breakthrough. Furthermore, the column dynamics was also predicted by self-sharpening and constant-pattern wave models. The self-sharpening wave model assuming local ion-exchange equilibrium could provide a simple and quick estimation for the breakthrough volume, but the predicted breakthrough curves did not match the experimental data very well. On the contrary, the constant-pattern wave model using a constant driving force model for finite ion-exchange rate provided a better fit to the experimental data. The obtained liquid-phase mass transfer coefficient was correlated to the flow velocity and other operating parameters; the breakthrough curves under varying operating conditions could thus be predicted by the constant-pattern wave model using the correlation.

Can coupling constants be related

International Nuclear Information System (INIS)

Nandi, Satyanarayan; Ng, Wing-Chiu.

1978-06-01

We analyze the conditions under which several coupling constants in field theory can be related to each other. When the relation is independent of the renormalization point, the relation between any g and g' must satisfy a differential equation as follows from the renormalization group equations. Using this differential equation, we investigate the criteria for the feasibility of a power-series relation for various theories, especially the Weinberg-Salam type (including Higgs bosons) with an arbitrary number of quark and lepton flavors. (orig./WL) [de

Density-dependent coupling constants and charge symmetry breaking

International Nuclear Information System (INIS)

Barreiro, L.A.

2001-01-01

The effect of the medium in the coupling constants implicate in a charge symmetry breaking on nuclear interactions. The amount of energy due to this modification can explain the Nolen-Schiffer anomaly. (author)

Running coupling constants of the Luttinger liquid

International Nuclear Information System (INIS)

Boose, D.; Jacquot, J.L.; Polonyi, J.

2005-01-01

We compute the one-loop expressions of two running coupling constants of the Luttinger model. The obtained expressions have a nontrivial momentum dependence with Landau poles. The reason for the discrepancy between our results and those of other studies, which find that the scaling laws are trivial, is explained

Measurement of the strong coupling constant using τ decays

Science.gov (United States)

Buskulic, D.; Decamp, D.; Goy, C.; Lees, J.-P.; Minard, M.-N.; Mours, B.; Pietrzyk, B.; Alemany, R.; Ariztizabal, F.; Comas, P.; Crespo, J. M.; Delfino, M.; Fernandez, E.; Fernandez-Bosman, M.; Gaitan, V.; Garrido, Ll.; Mattison, T.; Pacheco, A.; Padilla, C.; Pascual, A.; Creanza, D.; de Palma, M.; Farilla, A.; Iaselli, G.; Maggi, G.; Maggi, M.; Natali, S.; Nuzzo, S.; Quattromini, M.; Ranieri, A.; Raso, G.; Romano, F.; Ruggieri, F.; Selvaggi, G.; Silvestris, L.; Tempesta, P.; Zito, G.; Chai, Y.; Hu, H.; Huang, D.; Huang, X.; Lin, J.; Wang, T.; Xie, Y.; Xu, D.; Xu, R.; Zhang, J.; Zhang, L.; Zhao, W.; Bauerdick, L. A. T.; Blucher, E.; Bonvicini, G.; Boudreau, J.; Casper, D.; Drevermann, H.; Forty, R. W.; Ganis, G.; Gay, C.; Hagelberg, R.; Harvey, J.; Haywood, S.; Hilgart, J.; Jacobsen, R.; Jost, B.; Knobloch, J.; Lehraus, I.; Lohse, T.; Lusiani, A.; Martinez, M.; Mato, P.; Meinhard, H.; Minten, A.; Miotto, A.; Miquel, R.; Moser, H.-G.; Palazzi, P.; Perlas, J. A.; Pusztaszeri, J.-F.; Ranjard, F.; Redlinger, G.; Rolandi, L.; Rothberg, J.; Ruan, T.; Saich, M.; Schlatter, D.; Schmelling, M.; Sefkow, F.; Tejessy, W.; Wachsmuth, H.; Wiedenmann, W.; Wildish, T.; Witzeling, W.; Wotschack, J.; Ajaltouni, Z.; Badaud, F.; Bardadin-Otwinowska, M.; El Fellous, R.; Falvard, A.; Gay, P.; Guicheney, C.; Henrard, P.; Jousset, J.; Michel, B.; Montret, J.-C.; Pallin, D.; Perret, P.; Podlyski, F.; Proriol, J.; Prulhière, F.; Saadi, F.; Fearnley, T.; Hansen, J. D.; Hansen, J. R.; Hansen, P. H.; Møllerud, R.; Nilsson, B. S.; Efthymiopoulos, I.; Kyriakis, A.; Simopoulou, E.; Vayaki, A.; Zachariadou, K.; Badier, J.; Blondel, A.; Bonneaud, G.; Brient, J. C.; Fouque, G.; Orteu, S.; Rougé, A.; Rumpf, M.; Tanaka, R.; Verderi, M.; Videau, H.; Candlin, D. J.; Parsons, M. I.; Veitch, E.; Moneta, L.; Parrini, G.; Corden, M.; Georgiopoulos, C.; Ikeda, M.; Lannutti, J.; Levinthal, D.; Mermikides, M.; Sawyer, L.; Wasserbaech, S.; Antonelli, A.; Baldini, R.; Bencivenni, G.; Bologna, G.; Bossi, F.; Campana, P.; Capon, G.; Cerutti, F.; Chiarella, V.; D'Ettorre-Piazzoli, B.; Felici, G.; Laurelli, P.; Mannocchi, G.; Murtas, F.; Murtas, G. P.; Passalacqua, L.; Pepe-Altarelli, M.; Picchi, P.; Colrain, P.; Ten Have, I.; Lynch, J. G.; Maitland, W.; Morton, W. T.; Raine, C.; Reeves, P.; Scarr, J. M.; Smith, K.; Smith, M. G.; Thompson, A. S.; Turnbull, R. M.; Brandl, B.; Braun, O.; Geweniger, C.; Hanke, P.; Hepp, V.; Kluge, E. E.; Maumary, Y.; Putzer, A.; Rensch, B.; Stahl, A.; Tittel, K.; Wunsch, M.; Belk, A. T.; Beuselinck, R.; Binnie, D. M.; Cameron, W.; Cattaneo, M.; Colling, D. J.; Dornan, P. J.; Dugeay, S.; Greene, A. M.; Hassard, J. F.; Lieske, N. M.; Nash, J.; Payne, D. G.; Phillips, M. J.; Sedgbeer, J. K.; Tomalin, I. R.; Wright, A. G.; Girtler, P.; Kneringer, E.; Kuhn, D.; Rudolph, G.; Bowdery, C. K.; Brodbeck, T. J.; Finch, A. J.; Foster, F.; Hughes, G.; Jackson, D.; Keemer, N. R.; Nuttall, M.; Patel, A.; Sloan, T.; Snow, S. W.; Whelan, E. P.; Kleinknecht, K.; Raab, J.; Renk, B.; Sander, H.-G.; Schmidt, H.; Steeg, F.; Walther, S. M.; Wanke, R.; Wolf, B.; Aubert, J.-J.; Bencheikh, A. M.; Benchouk, C.; Bonissent, A.; Carr, J.; Coyle, P.; Drinkard, J.; Etienne, F.; Nicod, D.; Papalexiou, S.; Payre, P.; Roos, L.; Rousseau, D.; Schwemling, P.; Talby, M.; Adlung, S.; Assmann, R.; Bauer, C.; Blum, W.; Brown, D.; Cattaneo, P.; Dehning, B.; Dietl, H.; Dydak, F.; Frank, M.; Halley, A. W.; Lauber, J.; Lütjens, G.; Lutz, G.; Männer, W.; Richter, R.; Rotscheidt, H.; Schröder, J.; Schwarz, A. S.; Settles, R.; Seywerd, H.; Stierlin, U.; Stiegler, U.; Denis, R. St.; Wolf, G.; Boucrot, J.; Callot, O.; Cordier, A.; Davier, M.; Duflot, L.; Grivaz, J.-F.; Heusse, Ph.; Jaffe, D. E.; Janot, P.; Kim, D. W.; Le Diberder, F.; Lefrançois, J.; Lutz, A.-M.; Schune, M.-H.; Veillet, J.-J.; Videau, I.; Zhang, Z.; Abbaneo, D.; Bagliesi, G.; Batignani, G.; Bosisio, L.; Bottigli, U.; Bozzi, C.; Calderini, G.; Carpinelli, M.; Ciocci, M. A.; Dell'Orso, R.; Ferrante, I.; Fidecaro, F.; Foà, L.; Focardi, E.; Forti, F.; Giassi, A.; Giorgi, M. A.; Gregorio, A.; Ligabue, F.; Mannelli, E. B.; Marrocchesi, P. S.; Messineo, A.; Palla, F.; Rizzo, G.; Sanguinetti, G.; Spagnolo, P.; Steinberger, J.; Tenchini, R.; Tonelli, G.; Triggiani, G.; Vannini, C.; Venturi, A.; Verdini, P. G.; Walsh, J.; Betteridge, A. P.; Carter, J. M.; Green, M. G.; March, P. V.; Mir, Ll. M.; Medcalf, T.; Quazi, I. S.; Strong, J. A.; West, L. R.; Botterill, D. R.; Clifft, R. W.; Edgecock, T. R.; Edwards, M.; Fisher, S. M.; Jones, T. J.; Norton, P. R.; Salmon, D. P.; Thompson, J. C.; Bloch-Devaux, B.; Colas, P.; Duarte, H.; Kozanecki, W.; Lançon, E.; Lemaire, M. C.; Locci, E.; Perez, P.; Perrier, F.; Rander, J.; Renardy, J.-F.; Rosowsky, A.; Roussarie, A.; Schuller, J.-P.; Schwindling, J.; Si Mohand, D.; Vallage, B.; Johnson, R. P.; Litke, A. M.; Taylor, G.; Wear, J.; Ashman, J. G.; Babbage, W.; Booth, C. N.; Buttar, C.; Carney, R. E.; Cartwright, S.; Combley, F.; Hatfield, F.; Thompson, L. F.; Barberio, E.; Böhrer, A.; Brandt, S.; Cowan, G.; Grupen, C.; Lutters, G.; Rivera, F.; Schäfer, U.; Smolik, L.; Della Marina, R.; Giannini, G.; Gobbo, B.; Ragusa, F.; Bellantoni, L.; Chen, W.; Cinabro, D.; Conway, J. S.; Cowen, D. F.; Feng, Z.; Ferguson, D. P. S.; Gao, Y. S.; Grahl, J.; Harton, J. L.; Jared, R. C.; Leclaire, B. W.; Lishka, C.; Pan, Y. B.; Pater, J. R.; Saadi, Y.; Sharma, V.; Schmitt, M.; Shi, Z. H.; Walsh, A. M.; Weber, F. V.; Lan Wu, Sau; Wu, X.; Zheng, M.; Zobernig, G.; Aleph Collaboration

1993-06-01

The strong coupling constant is determined from the leptonic branching ratios, the lifetime, and the invariant mass distribution of the hadronic final state of the τ lepton, using data accumulated at LEP with the ALEPH detector. The strong coupling constant measurement, αs( mτ2) = 0.330±0.046, evolved to the Z mass yields αs( MZ2) = 0.188±0.005. The error includes experimental and theoretical uncertainties, the latter evaluated in the framework of the Shifman, Vainshtein and Zakharov (SVZ) approach. The method allows the non-perturbative contribution to the hadronic decay rate to be determined to be 0.3±0.5%.

Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

Science.gov (United States)

Adam, Ahmad Y.; Yachmenev, Andrey; Yurchenko, Sergei N.; Jensen, Per

2015-12-01

We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH3 radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH3 in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant's equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.

Non-minimally coupled varying constants quantum cosmologies

International Nuclear Information System (INIS)

Balcerzak, Adam

2015-01-01

We consider gravity theory with varying speed of light and varying gravitational constant. Both constants are represented by non-minimally coupled scalar fields. We examine the cosmological evolution in the near curvature singularity regime. We find that at the curvature singularity the speed of light goes to infinity while the gravitational constant vanishes. This corresponds to the Newton's Mechanics limit represented by one of the vertex of the Bronshtein-Zelmanov-Okun cube [1,2]. The cosmological evolution includes both the pre-big-bang and post-big-bang phases separated by the curvature singularity. We also investigate the quantum counterpart of the considered theory and find the probability of transition of the universe from the collapsing pre-big-bang phase to the expanding post-big-bang phase

Kerr microscopy study of exchange-coupled FePt/Fe exchange spring magnets

Energy Technology Data Exchange (ETDEWEB)

Hussain, Zaineb; Kumar, Dileep [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001 (India); Reddy, V. Raghavendra, E-mail: varimalla@yahoo.com [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001 (India); Gupta, Ajay [Amity Center for Spintronic Materials, Amity University, Noida 201303 (India)

2017-05-15

Magnetization reversal and magnetic microstructure of top soft magnetic layer (Fe) in exchange spring coupled L1{sub 0} FePt/Fe is studied using high resolution Kerr microscopy. With remnant state of the hard magnetic layer (L1{sub 0} FePt) as initial condition, magnetization loops along with magnetic domains are recorded for the top soft magnetic layer (Fe) using Kerr microscopy. Considerable shifting of Fe layer hysteresis loop from center which is similar to exchange bias phenomena is observed. It is also observed that one can tune the magnitude of hysteresis shift by reaching the remanent state from different saturating fields (H{sub SAT}) and also by varying the angle between measuring field and H{sub SAT}. The hysteresis loops and magnetic domains of top soft Fe layer demonstrate unambiguously that soft magnetic layer at remanent state in such exchange coupled system is having unidirectional anisotropy. An analogy is drawn and the observations are explained in terms of established model of exchange bias phenomena framed for field-cooled ferromagnetic - antiferromagnetic bilayer systems. - Highlights: • Kerr microscopy of top soft magnetic Fe layer in exchange spring coupled L1{sub 0} FePt (30 nm)/Fe (22 nm) is reported. • Considerable shifting of Fe layer hysteresis loop from center which is similar to exchange bias phenomena is observed. • Tuneable nature of magnitude of hysteresis shift is shown. • It is unambiguously shown that the top soft Fe magnetic layer at remanent state is having unidirectional anisotropy.

Study of switching behavior of exchange-coupled nanomagnets by transverse magnetization metrology

Science.gov (United States)

Dey, Himadri S.; Csaba, Gyorgy; Bernstein, Gary H.; Porod, Wolfgang

2017-05-01

We investigate the static switching modes of nanomagnets patterned from antiferromagnetically exchange-coupled magnetic multilayers, and compare them to nanomagnets having only dipole coupling between the ferromagnetic layers. Vibrating sample magnetometry experiments, supported by micromagnetic simulations, reveal two distinct switching mechanisms between the exchange-coupled and only dipole-coupled nanomagnets. The exchange-coupled nanomagnets exhibit gradual switching of the layers, dictated by the strong antiferromagnetic exchange coupling present between the layers. However, the layers of the only dipole-coupled nanomagnets show abrupt nucleation/growth type switching. A comprehensive understanding of the switching modes of such layered and patterned systems can add new insight into the reversal mechanisms of similar systems employed for spintronic and magneto-logic device applications.

Chemical exchange effects during refocusing pulses in constant-time CPMG relaxation dispersion experiments

International Nuclear Information System (INIS)

Myint, Wazo; Ishima, Rieko

2009-01-01

In the analysis of the constant-time Carr-Purcell-Meiboom-Gill (CT-CPMG) relaxation dispersion experiment, chemical exchange parameters, such as rate of exchange and population of the exchanging species, are typically optimized using equations that predict experimental relaxation rates recorded as a function of effective field strength. In this process, the effect of chemical exchange during the CPMG pulses is typically assumed to be the same as during the free-precession. This approximation may introduce systematic errors into the analysis of data because the number of CPMG pulses is incremented during the constant-time relaxation period, and the total pulse duration therefore varies as a function of the effective field strength. In order to estimate the size of such errors, we simulate the time-dependence of magnetization during the entire constant time period, explicitly taking into account the effect of the CPMG pulses on the spin relaxation rate. We show that in general the difference in the relaxation dispersion profile calculated using a practical pulse width from that calculated using an extremely short pulse width is small, but under certain circumstances can exceed 1 s -1 . The difference increases significantly when CPMG pulses are miscalibrated

Dependence of the Spin Transfer Torque Switching Current Density on the Exchange Stiffness Constant

OpenAIRE

You, Chun-Yeol

2012-01-01

We investigate the dependence of the switching current density on the exchange stiffness constant in the spin transfer torque magnetic tunneling junction structure with micromagnetic simulations. Since the widely accepted analytic expression of the switching current density is based on the macro-spin model, there is no dependence of the exchange stiffness constant. When the switching is occurred, however, the spin configuration forms C-, S-type, or complicated domain structures. Since the spi...

A new scheme for the running coupling constant in gauge theories using Wilson loops

Energy Technology Data Exchange (ETDEWEB)

Kurachi, Masafumi [Los Alamos National Laboratory; Bilgici, Erek [AUSTRIA; Flachi, Antonion [KYOTO UNIV; Itou, Etsuko [KOGAKUIN UNIV; David Lin, C J [NATIONAL CHIAO-TUNG UNIV; Matsufuru, Hideo [KEK; Ohki, Hiroshi [KYOTO UNIV; Onogi, Tetsuya [KYOTO UNIV; Yamazaki, Takeshi [UNIV OF TSUKUBA

2009-01-01

We propose a new renormalization scheme of the running coupling constant in general gauge theories defined by using the Wilson loops. The renormalized coupling constant is obtained from the Cretz ratio in lattice simulations and the corresponding perturbative coefficient at the leading order. The latter calculation is performed by adopting the zeta-function resummation techniques. We make a benchmark test of our scheme in quenched QCD with the plaquette gauge action. The running of the coupling constant is determined by applying the step scaling procedure. Using several methods to improve the statistical accuracy, we show that the running coupling constant can be determined in a wide range of energy scales with relatively small number of gauge configurations.

Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

Energy Technology Data Exchange (ETDEWEB)

Adam, Ahmad Y.; Jensen, Per, E-mail: jensen@uni-wuppertal.de [Fakultät Mathematik und Naturwissenschaften, Physikalische und Theoretische Chemie, Bergische Universität Wuppertal, D-42097 Wuppertal (Germany); Yachmenev, Andrey; Yurchenko, Sergei N. [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

2015-12-28

We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH{sub 3} radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH{sub 3} in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.

Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

International Nuclear Information System (INIS)

Adam, Ahmad Y.; Jensen, Per; Yachmenev, Andrey; Yurchenko, Sergei N.

2015-01-01

We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH 3 radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH 3 in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role

Failure of standard approximations of the exchange coupling in nanostructures

DEFF Research Database (Denmark)

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

2007-01-01

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

Goldberger-Treiman constraint criterion for hyperon coupling constants

International Nuclear Information System (INIS)

General, Ignacio J.; Cotanch, Stephen R.

2004-01-01

The generalized Goldberger-Treiman relation is combined with the Dashen-Weinstein sum rule to provide a constraint equation between the g KΣN and g KΛN coupling constants. A comprehensive examination of the published phenomenological and theoretical hyperon couplings has yielded a much smaller set of values, spanning the intervals 0.80≤g KΣN /√(4π)≤2.72 and -3.90≤g KΛN /√(4π)≤-1.84, consistent with this criterion. The broken SU F (3) and Goldberger-Treiman hyperon couplings satisfy the constraint along with predictions from a Taylor series extrapolation using the same momentum variation as exhibited by g πNN

Pure spin current manipulation in antiferromagnetically exchange coupled heterostructures

Science.gov (United States)

Avilés-Félix, L.; Butera, A.; González-Chávez, D. E.; Sommer, R. L.; Gómez, J. E.

2018-03-01

We present a model to describe the spin currents generated by ferromagnet/spacer/ferromagnet exchange coupled trilayer systems and heavy metal layers with strong spin-orbit coupling. By exploiting the magnitude of the exchange coupling (oscillatory RKKY-like coupling) and the spin-flop transition in the magnetization process, it has been possible to produce spin currents polarized in arbitrary directions. The spin-flop transition of the trilayer system originates pure spin currents whose polarization vector depends on the exchange field and the magnetization equilibrium angles. We also discuss a protocol to control the polarization sign of the pure spin current injected into the metallic layer by changing the initial conditions of magnetization of the ferromagnetic layers previously to the spin pumping and inverse spin Hall effect experiments. The small differences in the ferromagnetic layers lead to a change in the magnetization vector rotation that permits the control of the sign of the induced voltage components due to the inverse spin Hall effect. Our results can lead to important advances in hybrid spintronic devices with new functionalities, particularly, the ability to control microscopic parameters such as the polarization direction and the sign of the pure spin current through the variation of macroscopic parameters, such as the external magnetic field or the thickness of the spacer in antiferromagnetic exchange coupled systems.

New QCD sum rules for nucleon axial-vector coupling constants

International Nuclear Information System (INIS)

Lee, F.X.; Leinweber, D.B.; Jin, X.

1997-01-01

Two new sets of QCD sum rules for the nucleon axial-vector coupling constants are derived using the external-field technique and generalized interpolating fields. An in-depth study of the predicative ability of these sum rules is carried out using a Monte Carlo based uncertainty analysis. The results show that the standard implementation of the QCD sum rule method has only marginal predicative power for the nucleon axial-vector coupling constants, as the relative errors are large. The errors range from approximately 50% to 100% compared to the nucleon mass obtained from the same method, which has only a 10%- 25% error. The origin of the large errors is examined. Previous analyses of these coupling constants are based on sum rules that have poor operator product expansion convergence and large continuum contributions. Preferred sum rules are identified and their predictions are obtained. We also investigate the new sum rules with an alternative treatment of the problematic transitions which are not exponentially suppressed in the standard treatment. The alternative treatment provides exponential suppression of their contributions relative to the ground state. Implications for other nucleon current matrix elements are also discussed. copyright 1997 The American Physical Society

Magnetic exchange in {Gd(III)-radical} complexes: method assessment, mechanism of coupling and magneto-structural correlations.

Science.gov (United States)

Gupta, Tulika; Rajeshkumar, Thayalan; Rajaraman, Gopalan

2014-07-28

Density functional studies have been performed on ten different {Gd(III)-radical} complexes exhibiting both ferro and antiferromagnetic exchange interaction with an aim to assess a suitable exchange-correlation functional within DFT formalism. This study has also been extended to probe the mechanism of magnetic coupling and to develop suitable magneto-structural correlations for this pair. Our method assessments reveal the following order of increasing accuracy for the evaluation of J values compared to experimental coupling constants: B(40HF)LYP X3LYP < B3LYP < B2PLYP. Grimme's double-hybrid functional is found to be superior compared to other functionals tested and this is followed very closely by the conventional hybrid B3LYP functional. At the basis set front, our calculations reveal that the incorporation of relativistic effect is important in these calculations and the relativistically corrected effective core potential (ECP) basis set is found to yield better Js compared to other methods. The supposedly empty 5d/6s/6p orbitals of Gd(III) are found to play an important role in the mechanism of magnetic coupling and different contributions to the exchange terms are probed using Molecular Orbital (MO) and Natural Bond Orbital (NBO) analysis. Magneto-structural correlations for Gd-O distances, Gd-O-N angles and Gd-O-N-C dihedral angles are developed where the bond angles as well as dihedral angle parameters are found to dictate the sign and strength of the magnetic coupling in this series.

Number of generations related to coupling constants by confusion

International Nuclear Information System (INIS)

Bennett, D.L.; Nielsen, H.B.

1987-01-01

In the context of random dynamics, the mechanism of confusion is used to obtain a relation between the number of generations and standard model coupling constants. Preliminary results predict the existence of four generations. (orig.)

The variation of the fine-structure constant from disformal couplings

Energy Technology Data Exchange (ETDEWEB)

De Bruck, Carsten van; Mifsud, Jurgen [Consortium for Fundamental Physics, School of Mathematics and Statistics, University of Sheffield, Hounsfield Road, Sheffield S3 7RH (United Kingdom); Nunes, Nelson J., E-mail: c.vandebruck@sheffield.ac.uk, E-mail: jmifsud1@sheffield.ac.uk, E-mail: njnunes@fc.ul.pt [Instituto de Astrofísica e Ciências do Espaço, Faculdade de Ciências da Universidade de Lisboa, Campo Grande, PT1749-016 Lisboa (Portugal)

2015-12-01

We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with the current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory.

The variation of the fine-structure constant from disformal couplings

International Nuclear Information System (INIS)

De Bruck, Carsten van; Mifsud, Jurgen; Nunes, Nelson J.

2015-01-01

We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with the current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory

Exchange coupling and magnetic anisotropy of exchanged-biased quantum tunnelling single-molecule magnet Ni3Mn2 complexes using theoretical methods based on Density Functional Theory.

Science.gov (United States)

Gómez-Coca, Silvia; Ruiz, Eliseo

2012-03-07

The magnetic properties of a new family of single-molecule magnet Ni(3)Mn(2) complexes were studied using theoretical methods based on Density Functional Theory (DFT). The first part of this study is devoted to analysing the exchange coupling constants, focusing on the intramolecular as well as the intermolecular interactions. The calculated intramolecular J values were in excellent agreement with the experimental data, which show that all the couplings are ferromagnetic, leading to an S = 7 ground state. The intermolecular interactions were investigated because the two complexes studied do not show tunnelling at zero magnetic field. Usually, this exchange-biased quantum tunnelling is attributed to the presence of intermolecular interactions calculated with the help of theoretical methods. The results indicate the presence of weak intermolecular antiferromagnetic couplings that cannot explain the ferromagnetic value found experimentally for one of the systems. In the second part, the goal is to analyse magnetic anisotropy through the calculation of the zero-field splitting parameters (D and E), using DFT methods including the spin-orbit effect.

Influence of exchange coupling on current-driven domain wall motion in a nanowire

International Nuclear Information System (INIS)

Komine, Takashi; Takahashi, Kota; Murakami, Hiroshi; Sugita, Ryuji

2010-01-01

In this study, the effect of exchange stiffness constant on current-driven domain wall motion in nanowires with in-plane magnetic anisotropy (IMA) and perpendicular magnetic anisotropy (PMA) has been investigated using micromagnetic simulation. The critical current density in a nanowire with IMA decreases as the exchange stiffness constant decreases because the domain wall width at the upper edge of the nanowire narrows according to the decrease of the exchange stiffness constant. On the other hand, the critical current density in a nanowire with PMA slightly decreases contrary to that of IMA although the domain wall width reasonably decreases as the exchange stiffness constant decreases. The slight reduction rate of the critical current density is due to the increase of the effective hard-axis anisotropy of PMA nanowire.

Determination of the pion-nucleon coupling constant

International Nuclear Information System (INIS)

Samaranayake, V.K.

1977-06-01

Forward dispersion relations are used to determine the pion-nucleon coupling constant and S-wave scattering lengths using a least squares fit with additional parameters introduced to take account of the uncertainties in the calculation of dispersion integrals. The values obtained are: f 2 = (78.0+- 2.1).10 -3 , a 1 -a 3 = (272.4+- 12.3).10 -3 , a 1 +2a 3 = (15.1+-10.4).10 -3

Experimental test of the flavor independence of the quark-gluon coupling constant

International Nuclear Information System (INIS)

Althoff, M.; Braunschweig, W.; Kirschfink, F.J.; Luebelsmeyer, K.; Martyn, H.U.; Rimkus, J.; Rosskamp, P.; Sander, H.G.; Schmitz, D.; Siebke, H.; Wallraff, W.; Duchovni, E.; Karshon, U.; Mikenberg, G.; Mir, R.; Revel, D.; Ronat, E.; Shapira, A.; Yekutieli, G.; Baranko, G.; Barklow, T.; Caldwell, A.; Cherney, M.; Izen, J.M.; Mermikides, M.; Rudolph, G.; Strom, D.; Takashima, M.; Venkataramania, H.; Wicklund, E.; Sau Lan Wu; Zobernig, G.; Eisenberg, Y.; Eskreys, A.; Gather, K.; Hultschig, H.; Joos, P.; Koetz, U.; Kowalski, H.; Ladage, A.; Loehr, B.; Lueke, D.; Maettig, P.; Maettig, P.; Notz, D.; Nowak, R.J.; Pyrlik, J.; Rushton, M.; Schuette, W.; Trines, D.; Wolf, G.; Xiao, C.

1984-01-01

Reconstruction of charged Dsup(*)'s produced inclusively in e + e - annhilations at c.m. energies near 34.4 GeV is accomplished in the decay modes Dsup(*+) -> D 0 π + -> K - π + π 0 π + and Dsup(*+) -> D 0 π + -> K - π + π - π + π + and their charge conjugates. Using these and previously reported Dsup(*+) -> D 0 π + -> K - π + π + and Dsup(*+) -> D 0 π + -> K - π + π + + missing π 0 channels we present evidence for hard gluon bremsstrahlung from charm quarks and show that the ratio of the quark-gluon coupling constant of charm quarks to the coupling constant obtained in the average hadronic event, αsub(s)sup(c)/αsub(s) = 1.00 +- 0.20 +- 0.20. Our result provides evidence that the quark-gluon coupling constant is independent of flavor. (orig.)

Calculation of nuclear spin-spin coupling constants using frozen density embedding

Energy Technology Data Exchange (ETDEWEB)

Götz, Andreas W., E-mail: agoetz@sdsc.edu [San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Dr MC 0505, La Jolla, California 92093-0505 (United States); Autschbach, Jochen [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000 (United States); Visscher, Lucas, E-mail: visscher@chem.vu.nl [Amsterdam Center for Multiscale Modeling (ACMM), VU University Amsterdam, Theoretical Chemistry, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands)

2014-03-14

We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors within the framework of current-spin-density-functional theory. Our approach is based on the frozen-density embedding scheme within density-functional theory and extends a previously reported subsystem-based approach for the calculation of nuclear magnetic resonance shielding tensors to magnetic fields which couple not only to orbital but also spin degrees of freedom. This leads to a formulation in which the electron density, the induced paramagnetic current, and the induced spin-magnetization density are calculated separately for the individual subsystems. This is particularly useful for the inclusion of environmental effects in the calculation of nuclear spin-spin coupling constants. Neglecting the induced paramagnetic current and spin-magnetization density in the environment due to the magnetic moments of the coupled nuclei leads to a very efficient method in which the computationally expensive response calculation has to be performed only for the subsystem of interest. We show that this approach leads to very good results for the calculation of solvent-induced shifts of nuclear spin-spin coupling constants in hydrogen-bonded systems. Also for systems with stronger interactions, frozen-density embedding performs remarkably well, given the approximate nature of currently available functionals for the non-additive kinetic energy. As an example we show results for methylmercury halides which exhibit an exceptionally large shift of the one-bond coupling constants between {sup 199}Hg and {sup 13}C upon coordination of dimethylsulfoxide solvent molecules.

Spin quantum tunneling via entangled states in a dimer of exchange coupled single-molecule magnets

Science.gov (United States)

Tiron, R.; Wernsdorfer, W.; Aliaga-Alcalde, N.; Foguet-Albiol, D.; Christou, G.

2004-03-01

A new family of supramolecular, antiferromagnetically exchange-coupled dimers of single-molecule magnets (SMMs) has recently been reported [W. Wernsdorfer, N. Aliaga-Alcalde, D.N. Hendrickson, and G. Christou, Nature 416, 406 (2002)]. Each SMM acts as a bias on its neighbor, shifting the quantum tunneling resonances of the individual SMMs. Hysteresis loop measurements on a single crystal of SMM-dimers have now established quantum tunneling of the magnetization via entangled states of the dimer. This shows that the dimer really does behave as a quantum-mechanically coupled dimer. The transitions are well separated, suggesting long coherence times compared to the time scale of the energy splitting. This result is of great importance if such systems are to be used for quantum computing. It also allows the measurement of the longitudinal and transverse superexchange coupling constants [Phys. Rev. Lett. 91, 227203 (2003)].

Coupling constant corrections in a holographic model of heavy ion collisions

NARCIS (Netherlands)

Grozdanov, Sašo; Schee, Wilke van der

2017-01-01

We initiate a holographic study of coupling-dependent heavy ion collisions by analysing for the first time the effects of leading-order, inverse coupling constant corrections. In the dual description, this amounts to colliding gravitational shock waves in a theory with curvature-squared terms. We

Exchange coupling transformations in Cu (II) heterospin complexes of “breathing crystals” under structural phase transitions

Energy Technology Data Exchange (ETDEWEB)

Morozov, Vitaly A.; Petrova, Marina V.; Lukzen, Nikita N., E-mail: luk@tomo.nsc.ru [International Tomography Center SB RUS, Institutskaya Str. 3a, Novosibirsk, 630090 (Russian Federation); Novosibirsk State University, Pirogova Str. 2, Novosibirsk 630090 (Russian Federation)

2015-08-15

Family of “breathing crystals” is the polymer-chain complexes of Cu(hfac){sub 2} with nitroxides. The polymer chains consist of one-, two- or three-spin clusters. The “breathing crystals” experience simultaneous magnetic and Jahn-Teller type structural phase transitions with change of total cluster spin and drastic change of bond lengths (ca. 10-12%). For the first time the intra-cluster magnetic couplings in ”breathing crystals” have been calculated both by band structure methods GGA + U and hybrid DFT (B3LYP and PBE0) for the isolated exchange clusters. The temperature dependence of the magnetic coupling constant was calculated for two polymer-chain compounds of the “breathing crystal” family - C{sub 21}H{sub 19}CuF{sub 12}N{sub 4}O{sub 6} with the chains containing two-spin clusters and C{sub 22}H{sub 21}CuF{sub 12}N{sub 4}O{sub 6} with the chains of alternating three-spin clusters and one-spin sites. It was found that adding a Hubbard-like parameter not only to the copper 3d electrons but also to the oxygen 2p electrons (GGA + U{sub d} + U{sub p} approach) results in an improved description of exchange coupling in the “breathing crystal” compounds. At the same time treatment of the isolated clusters by a large basis hybrid DFT with high computational cost provides a similar quality fit of the experimental magneto-chemical data as that for the GGA + U{sub d} + U{sub p} band structure calculation scheme. Our calculations also showed that in spite of the abrupt transformation of the magnetic coupling constant under the phase transition, the band gap in the “breathing crystals” remains about the same value with temperature decrease.

Investigation of solvent dynamic effects on the electron self-exchange in two thianthrene couples with large inner reorganization energies.

Science.gov (United States)

Choto, P; Rasmussen, K; Grampp, G

2015-02-07

The large structural difference between thianthrene radical cations and their neutral parent molecules can possibly affect their electron self-exchange reactions. Before this can be investigated experimentally, it is necessary to first understand the influence of the solvent on such electron transfer reactions. To achieve this, the rate constants of the electron self-exchange reactions of the Th˙(+)/Th and MTh˙(+)/MTh (Th = thianthrene, MTh = 2,3,7,8-tetramethoxythianthrene) couples were investigated by means of ESR line broadening experiments in different solvents at 293 K. The diffusion corrected rate constants cover a range of 7.2 × 10(8)≤ket≤ 44 × 10(8) M(-1) s(-1) for Th˙(+)/Th and 2.0 × 10(8)≤ket≤ 11.6 × 10(8) M(-1) s(-1) for MTh˙(+)/MTh, respectively. The results were analysed within the framework of the Marcus Theory and the characteristic reorganization energy, λ, was determined. Both couples clearly show a solvent dynamic effect controlled by the longitudinal relaxation time τL of the solvents. However, the influence of the structural changes, in terms of λ, was smaller than expected at room temperature.

Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

Science.gov (United States)

Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

2015-10-01

Optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.

Temperature and cooling field dependent exchange coupling in [Cr/Gd]{sub 5} multilayers

Energy Technology Data Exchange (ETDEWEB)

Jiao, Z.W.; Chen, H.J.; Jiang, W.D.; Wang, J.F.; Yu, S.J. [Department of Physics, China Jiliang University, Hangzhou (China); Hou, Y.L.; Lu, B.; Ye, Q.L. [Department of Physics, Hangzhou Normal University, Hangzhou (China)

2016-09-15

Exchange coupling has been investigated in the [Cr/Gd]{sub 5} multilayers deposited at 25, 200, and 400 C, where the Neel temperature (T{sub N}) of antiferromagnetic Cr is slightly higher than the Curie temperature (T{sub C}) of ferromagnetic Gd. It was found that the exchange coupling existed not only at T{sub C} < T < T{sub N}, but also above the temperature (T{sub N}) of antiferromagnetic orderings with incommensurate spin-density wave structures transiting to paramagnetic state. These results can be discussed in terms of the crucial role played by the antiferromagnetic spins of Cr with commensurate spin-density wave structures in the vicinity of the Cr/Gd interfaces. Moreover, the exchange coupling of the multilayers grown at different temperatures exhibited different dependencies on the measuring temperature and the cooling field, respectively. Positive exchange bias was observed in the multilayers grown at 200 and 400 C. The interfacial roughness, grain size, and the antiferromagnetic orderings of Cr may be responsible for the anomalous exchange coupling of the multilayers. In addition, the competition between the exchange coupling at Cr/Gd interfaces and the external field-Cr surface magnetic coupling can explain the appearance of negative or positive exchange bias. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

String-coupling constant and dilaton vacuum expectation value in string field theory

International Nuclear Information System (INIS)

Yoneya, Tamiaki

1987-01-01

In the first quantized approaches to strings, it is well known that the string-coupling constant is determined by the vacuum expectation value of the dilaton field. This property, however, has never been demonstrated within the framework of string field theory. An explicit reparametrization of the string field associated with the shifts of the dilaton vacuum expectation value and the string-coupling constant is constructed exhibiting the above property in the light-cone field theory of the closed bosonic string. (orig.)

Vibrational Averaging of the Isotropic Hyperfine Coupling Constants for the Methyl Radical

Science.gov (United States)

Adam, Ahmad; Jensen, Per; Yachmenev, Andrey; Yurchenko, Sergei N.

2014-06-01

Electronic contributions to molecular properties are often considered as the major factor and usually reported in the literature without ro-vibrational corrections. However, there are many cases where the nuclear motion contributions are significant and even larger than the electronic contribution. In order to obtain accurate theoretical predictions, nuclear motion effects on molecular properties need to be taken into account. The computed isotropic hyperfine coupling constants for the nonvibrating methyl radical CH_3 are far from the experimental values. For CH_3, we have calculated the vibrational-state-dependence of the isotropic hyperfine coupling constant in the electronic ground state. The vibrational wavefunctions used in the averaging procedure were obtained variationally with the TROVE program. Analytical representations for the potential energy surfaces and the hyperfine coupling constant surfaces are obtained in least-squares fitting procedures. Thermal averaging has been carried out for molecules in thermal equilibrium, i.e., with Boltzmann-distributed populations. The calculation methods and the results will be discussed in detail.

Comparison of the function of exchange in couples of similar and differing physical attractiveness.

Science.gov (United States)

Murstein, Bernard I; Reif, Jeffrey A; Syracuse-Siewert, Gia

2002-08-01

Couples (22 young, married, 18 young unmarried) completed the Exchange Orientation Scale, which measures how much individuals believe equality of exchange should characterize their social relationships, as well as the Norman Personality Trait Scale, which gives measures for the self and ideal-self. Couples also rated their sexual satisfaction, their partners' physical attractiveness, their own attractiveness, and had their photographs evaluated for attractiveness by disinterested raters. Subgroups were formed of physically attractive couples, couples in which the members were of disparate attractiveness, and couples in which the individuals perceived themselves as equal to their partners in attractiveness or as inferior. In accordance with exchange theory, the hypotheses were (1) unmarried men would show higher exchange scores than married men, (2) attractive men in disparately attractive couples would show greater exchange scores than attractive men in both-attractive couples, (3) attractive members of disparately attractive couples would possess lower self-acceptance and (4) experience greater sexual satisfaction than attractive members of both-attractive couples. Results supported all hypotheses in varying extents.

Coupling constants and the nonrelativistic quark model with charmonium potential

International Nuclear Information System (INIS)

Chaichian, M.; Koegerler, R.

1978-01-01

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

Precise strength of the $\\pi$NN coupling constant

CERN Document Server

Ericson, Torleif Eric Oskar; Rahm, J; Blomgren, J; Olsson, N; Thomas, A W

1998-01-01

We report here a preliminary value for the piNN coupling constant deduced from the GMO sumrule for forward piN scattering. As in our previous determination from np backward differential scattering cross sections we give a critical discussion of the analysis with careful attention not only to the statistical, but also to the systematic uncertainties. Our preliminary evaluation gives $g^2_c$(GMO) = 13.99(24).

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

Science.gov (United States)

Soudackov, Alexander V; Hammes-Schiffer, Sharon

2015-11-21

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

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

International Nuclear Information System (INIS)

Soudackov, Alexander V.; Hammes-Schiffer, Sharon

2015-01-01

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

Capillary electrophoresis - inductively coupled plasma mass spectrometry (CE-ICPMS) coupling to assess pentavalent actinides thermodynamic constants

International Nuclear Information System (INIS)

Topin, S.; Baglan, N.; Aupiais, J.

2009-01-01

Full text: Aiming to investigate plutonium speciation at trace levels, we coupled capillary electrophoresis, a high resolution separation technique with inductively coupled plasma mass spectrometry, a detector with high sensitivity for plutonium. The research work performed to optimize the coupling is discussed based on the following criteria: the migration time, the resolution and the detection limit. The capabilities of the analytical tool are demonstrated by determining thermodynamic constants for pentavalent plutonium, and neptunium as a reference, in the presence of inorganic ligands. (author)

Strong-coupling constant at three loops in momentum subtraction scheme

International Nuclear Information System (INIS)

Chetyrkin, K.G.; Russian Academy of Sciences, Moscow; Kniehl, B.A.; Steinhauser, M.

2008-12-01

In this paper we compute the three-loop corrections to the β function in a momentum subtraction (MOM) scheme with a massive quark. The calculation is performed in the background field formalism applying asymptotic expansions for small and large momenta. Special emphasis is devoted to the relation between the coupling constant in the MOM and MS schemes as well as their ability to describe the phenomenon of decoupling. It is demonstrated by an explicit comparison that the MS scheme can be consistently used to relate the values of the MOM-scheme strong-coupling constant in the energy regions higher and lower than the massive-quark production threshold. This procedure obviates the necessity to know the full mass dependence of the MOM β function and clearly demonstrates the equivalence of both schemes for the description of physics outside the threshold region. (orig.)

Strong-coupling constant at three loops in momentum subtraction scheme

Energy Technology Data Exchange (ETDEWEB)

Chetyrkin, K.G. [Karlsruhe Univ. (T.H.), Karlsruhe Inst. of Technology (KIT) (Germany). Inst. fuer Theoretische Teilchenphysik]|[Russian Academy of Sciences, Moscow (Russian Federation). Inst. for Nuclear Research; Kniehl, B.A. [Hamburg Univ. (Germany). II. Inst. fuer Theoretische Physik; Steinhauser, M. [Karlsruhe Univ. (T.H.), Karlsruhe Inst. of Technology (KIT) (Germany). Inst. fuer Theoretische Teilchenphysik

2008-12-15

In this paper we compute the three-loop corrections to the {beta} function in a momentum subtraction (MOM) scheme with a massive quark. The calculation is performed in the background field formalism applying asymptotic expansions for small and large momenta. Special emphasis is devoted to the relation between the coupling constant in the MOM and MS schemes as well as their ability to describe the phenomenon of decoupling. It is demonstrated by an explicit comparison that the MS scheme can be consistently used to relate the values of the MOM-scheme strong-coupling constant in the energy regions higher and lower than the massive-quark production threshold. This procedure obviates the necessity to know the full mass dependence of the MOM {beta} function and clearly demonstrates the equivalence of both schemes for the description of physics outside the threshold region. (orig.)

Ferromagnetism and interlayer exchange coupling in thin metallic films

Energy Technology Data Exchange (ETDEWEB)

Kienert, Jochen

2008-07-15

This thesis is concerned with the ferromagnetic Kondo lattice (s-d,s-f) model for film geometry. The spin-fermion interaction of this model refers to substances in which localized spins interact with mobile charge carriers like in (dilute) magnetic semiconductors, manganites, or rare-earth compounds. The carrier-mediated, indirect interaction between the localized spins comprises the long-range, oscillatory RKKY exchange interaction in the weak-coupling case and the short-range doubleexchange interaction for strong spin-fermion coupling. Both limits are recovered in this work by mapping the problem onto an effective Heisenberg model. The influence of reduced translational symmetry on the effective exchange interaction and on the magnetic properties of the ferromagnetic Kondo lattice model is investigated. Curie temperatures are obtained for different parameter constellations. The consequences of charge transfer and of lattice relaxation on the magnetic stability at the surface are considered. Since the effective exchange integrals are closely related to the electronic structure in terms of the density of states and of the kinetic energy, the discussion is based on the modifications of these quantities in the dimensionally-reduced case. The important role of spin waves for thin film and surface magnetism is demonstrated. Interlayer exchange coupling represents a particularly interesting and important manifestation of the indirect interaction among localized magnetic moments. The coupling between monatomic layers in thin films is studied in the framework of an RKKY approach. It is decisively determined by the type of in-plane and perpendicular dispersion of the charge carriers and is strongly suppressed above a critical value of the Fermi energy. Finally, the temperature-dependent magnetic stability of thin interlayer-coupled films is addressed and the conditions for a temperature-driven magnetic reorientation transition are discussed. (orig.)

gVSγ coupling constant in light cone QCD

International Nuclear Information System (INIS)

Aydin, C.; Keskin, F.; Yilmaz, A. H.; Aydin, S. H.

2011-01-01

We recalculated the coupling constants g φσγ , g φa 0 γ , g ωσγ , g a 0 ωγ , g ρσγ , and g a 0 ργ by taking into account the contributions of the three-particle up to twist-4 distribution amplitudes of the photon involving quark-gluon and quark-anti-quark-photon fields in the light-cone sum-rule framework.

Precise strength of the πNN coupling constant

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Rahm, J.; Blomgren, J.; Olsson, N.; Thomas, A. W.

1999-01-01

We report here a preliminary value for the πNN coupling constant deduced from the Goldberger-Miyazawa-Oehme sum rule for forward πN scattering. As in our previous determination from np backward differential scattering cross sections we give a critical discussion of the analysis with careful attention not only to the statistical, but also to the systematic uncertainties. Our preliminary evaluation gives g 2 c =13.99(24)

Mean field analysis of exchange coupling in amorphous DyFe2-B alloy ribbons

International Nuclear Information System (INIS)

Lee, J.M.; Jung, J.K.; Lim, S.H.

2001-01-01

Experimental magnetization-temperature curves for melt-spun ribbons of amorphous alloys (Dy 0.33 Fe 0.67 ) 1-x B x with x=0, 0.05, 0.1 and 0.15 (in atomic fraction) are fitted with theoretical equations based on the mean field theory in order to investigate exchange couplings between constituent elements as a function of the B content. The sign of the exchange coupling between Dy and Fe is negative, indicating that the magnetization direction of Dy is antiparallel to that of Fe. The sign of the other two couplings are positive. The exchange coupling between Fe ions are greatest, while that between Dy ions is negligible. The exchange couplings between Fe ions, and between Dy and Fe increase with increasing B content, the increase of the latter being much greater than the former. Resulting, the exchange coupling between Dy and Fe becomes about one half of that between Fe ions at the highest B content. The increase of the exchange coupling between Fe ions may be explained by the increase of the Fe-Fe separation with the increase of the B content. The total magnetization is dominated by the Dy sublattice magnetization. As the B content increases, the magnetization decreases over the whole temperature range, and the Curie temperature also decreases

Scale solutions and coupling constant in electrodynamics of vector particles

International Nuclear Information System (INIS)

Arbuzov, B.A.; Boos, E.E.; Kurennoy, S.S.

1980-01-01

A new approach in nonrenormalizable gauge theories is studied, the electrodynamics of vector particles being taken as an example. One and two-loop approximations in Schwinger-Dyson set of equations are considered with account for conditions imposed by gauge invariance. It is shown, that solutions with scale asymptotics can occur in this case but only for a particular value of coupling constant. This value in solutions obtained is close to the value of the fine structure constant α=1/137

MD2065: Emittance exchange with linear coupling

CERN Document Server

Carver, Lee Robert; Persson, Tobias Hakan Bjorn; Amorim, David; Levens, Tom; Pesah, Arthur Chalom; CERN. Geneva. ATS Department

2018-01-01

In order to better understand the luminosity imbalance between ATLAS and CMS that was observed in 2016, it was proposed to perform a test whereby the horizontal and vertical emittances are exchanged by crossing the tunes in the presence of linear coupling. The luminosity before and after the exchange could be compared to see if the imbalance stems purely from the uneven emittances or if there is an additional mechanism in play. However, due to limited machine availability only tests at injection were able to performed.

The thermal coupling constant and the gap equation in the λ φ 4D model

International Nuclear Information System (INIS)

Ananos, G.N.J.; Malbouisson, A.P.C.; Svaiter, N.F.

1998-05-01

By the concurrent use of two different resummation methods, the composite operator formalism and the Dyson-Schwinger equation, we re-examine the behaviour at finite temperature of the O(N)-symmetric λψ 4 model in a generic D-dimensional Euclidean space. In the cases D = 3 and D = 4, an analysis of the thermal behaviour of the renormalized squared mass and coupling constant are done for all temperatures. It results that the thermal renormalized squared mass is positive and increases monotonically with the temperature. The behavior of the thermal coupling constant is quite different in odd or even dimensional space. In D = 3, the thermal coupling constant decreases up to a minimum value different from zero and ten grows up monotonically as the temperature increases. In the case D = 4, it is found that the thermal renormalized coupling constant tends in the high temperature limit to a constant asymptotic value. Also for general D-dimensional Euclidean space, we are able to obtain a formula for the critical temperature of the second order phase transition. This formula agrees with previous known values at D = 3 and D 4. (author)

School Organization and Institutional Change: Exchange and Power in Loosely Coupled Systems.

Science.gov (United States)

Talbert, Joan E.

This paper presents an exchange-theory view of school authority relations in order to identify patterns of coupling, or interdependencies, within school organizations and to analyze the potential for tighter coupling of administrative and teaching subsystems. The analysis proceeds from an argument that the social-exchange view of administrative…

Muon capture on nuclei and the induced pseudoscalar coupling constant

International Nuclear Information System (INIS)

Hasinoff, M.D.

1996-11-01

Ordinary and radiative muon capture reactions are reviewed with regards to the evidence for a renormalization of the induced pseudoscalar coupling constant inside the nucleus. Emphasis is placed on the new results which have become available since the WEIN-92 conference. (authors)

Direct determinations of the πNN coupling constants

International Nuclear Information System (INIS)

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

1998-01-01

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

Freezing of the QCD coupling constant and the pion form factor

International Nuclear Information System (INIS)

Aguilar, A.C.; Mihara, A.; Natale, A.A.

2003-01-01

The possibility that the QCD coupling constant (α s ) has an infrared finite behavior (freezing) has been extensively studied in recent years. We compare phenomenological values of the 'frozen' the QCD running coupling between different classes of solutions obtained through non-perturbative Schwinger-Dyson Equations. With these solutions were computed QCD predictions for the asymptotic pion form factor which, in turn, were compared with experiment. (author)

A facile way to realize exchange coupling interaction in hard/soft magnetic composites

Energy Technology Data Exchange (ETDEWEB)

Li, Dongyun, E-mail: lidongyun@cjlu.edu.cn [College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Wang, Fan [College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Xia, Ailin, E-mail: alxia@126.com [Anhui Key Laboratory of Metal Materials and Processing, School of Materials Science and Engineering, Anhui University of Technology, Maanshan 243032 (China); Zhang, Lijiao [School of Science, Hebei University of Science and Technology, Shijiazhuang 050018 (China); Li, Tingting; Jin, Chuangui; Liu, Xianguo [Anhui Key Laboratory of Metal Materials and Processing, School of Materials Science and Engineering, Anhui University of Technology, Maanshan 243032 (China)

2016-11-01

SrFe{sub 12}O{sub 19}/CoFe{sub 2}O{sub 4} and SrFe{sub 12}O{sub 19}/Fe–B hard/soft magnetic composites were obtained by using powders synthesized via a hydrothermal and a molten salt method, respectively. The exchange coupling interaction was found to exist in the composites after a facile grinding according to the results of magnetic hysteresis loops and irreversible sloping recoil loops. It can be found that different grinding time affects their magnetic properties slightly. Our study proves that the conditions of realizing exchange coupling interaction may not be so stringent. - Highlights: • SrM/CFO and SrM/Fe–B with exchange coupling were obtained via a grinding way. • Different grinding time affects their magnetic properties slightly. • The conditions of realizing exchange coupling may not be so stringent.

Magnetic behavior of partially exchange-coupled particles

International Nuclear Information System (INIS)

Oliva, M.I.; Bercoff, P.G.; Bertorello, H.R.

2005-01-01

A system of particle pairs with partial exchange coupling is studied, considering identical particles and a fixed angle between their anisotropy axes. The energy of each pair is calculated in terms of the extent of interaction, β, as a function of the applied demagnetizing field. Using the probability per unit time for the inversion of magnetization, the coercive field H c and the viscosity S of the system are calculated. An unexpected result is that fully coupled particles are more stable against temperature than the uncoupled particles

Determination of the pion-nucleon coupling constant and scattering lengths

CERN Document Server

Ericson, Torleif Eric Oskar; Thomas, A W

2002-01-01

We critically evaluate the isovector GMO sum rule for forward pion-nucleon scattering using the recent precision measurements of negatively charged pion-proton and pion-deuteron scattering lengths from pionic atoms. We deduce the charged-pion-nucleon coupling constant, with careful attention to systematic and statistical uncertainties. This determination gives, directly from data a pseudoscalar coupling constant of 14.17+-0.05(statistical)+-0.19(systematic) or a pseudovector one of 0.0786(11). This value is intermediate between that of indirect methods and the direct determination from backward neutron-proton differential scattering cross sections. We also use the pionic atom data to deduce the coherent symmetric and antisymmetric sums of the negatively charged pion-proton and pion-neutron scattering lengths with high precision. The symmetric sum gives 0.0017+-0.0002(statistical)+-0.0008 (systematic) and the antisymmetric one 0.0900+-0.0003(statistical)+-0.0013(systematic), both in units of inverse charged pi...

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

Science.gov (United States)

Phillips, Jordan J; Peralta, Juan E

2014-08-07

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

Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization.

Science.gov (United States)

Phillips, Jordan J; Peralta, Juan E

2012-09-11

Semilocal functionals generally yield poor magnetic exchange couplings for transition-metal complexes, typically overpredicting in magnitude the experimental values. Here we show that semilocal functionals evaluated nonself-consistently on densities from hybrid functionals can yield magnetic exchange couplings that are greatly improved with respect to their self-consistent semilocal values. Furthermore, when semilocal functionals are evaluated nonself-consistently on densities from a "half-and-half" hybrid, their errors with respect to experimental values can actually be lower than those from self-consistent calculations with standard hybrid functionals such as PBEh or TPSSh. This illustrates that despite their notoriously poor performance for exchange couplings, for many systems semilocal functionals are capable of delivering accurate relative energies for magnetic states provided that their electron delocalization error is corrected. However, while self-consistent calculations with hybrids uniformly improve results for all complexes, evaluating nonself-consistently with semilocal functionals does not give a balanced improvement for both ferro- and antiferromagnetically coupled complexes, indicating that there is more at play with the overestimation problem than simply the delocalization error. Additionally, we show that for some systems the conventional wisdom of choice of exchange functional mattering more than correlation does not hold. This combined with results from the nonself-consistent calculations provide insight on clarifying the relative roles of exchange, correlation, and delocalization in calculating magnetic exchange coupling parameters in Kohn-Sham Density Functional Theory.

Conditions for the absence of infinite renormalization in masses and coupling constants

International Nuclear Information System (INIS)

Terrab, E.S.C.

1985-01-01

A model of scalar, pseudo-scalar and spin 1/2 particle interaction is studied. After reformulation of the problem in function of auxiliary fields, perturbative calculations up to one loop are developed, finding out certain relations among characteristics constants of system, which assure (until the considered order) the absence of infinite renormalization in masses and coupling constants. (M.C.K.) [pt

Cosmological dynamics with non-minimally coupled scalar field and a constant potential function

International Nuclear Information System (INIS)

Hrycyna, Orest; Szydłowski, Marek

2015-01-01

Dynamical systems methods are used to investigate global behaviour of the spatially flat Friedmann-Robertson-Walker cosmological model in gravitational theory with a non-minimally coupled scalar field and a constant potential function. We show that the system can be reduced to an autonomous three-dimensional dynamical system and additionally is equipped with an invariant manifold corresponding to an accelerated expansion of the universe. Using this invariant manifold we find an exact solution of the reduced dynamics. We investigate all solutions for all admissible initial conditions using theory of dynamical systems to obtain a classification of all evolutional paths. The right-hand sides of the dynamical system depend crucially on the value of the non-minimal coupling constant therefore we study bifurcation values of this parameter under which the structure of the phase space changes qualitatively. We found a special bifurcation value of the non-minimal coupling constant which is distinguished by dynamics of the model and may suggest some additional symmetry in matter sector of the theory

Cosmological dynamics with non-minimally coupled scalar field and a constant potential function

Energy Technology Data Exchange (ETDEWEB)

Hrycyna, Orest [Theoretical Physics Division, National Centre for Nuclear Research, Hoża 69, 00-681 Warszawa (Poland); Szydłowski, Marek, E-mail: orest.hrycyna@ncbj.gov.pl, E-mail: marek.szydlowski@uj.edu.pl [Astronomical Observatory, Jagiellonian University, Orla 171, 30-244 Kraków (Poland)

2015-11-01

Dynamical systems methods are used to investigate global behaviour of the spatially flat Friedmann-Robertson-Walker cosmological model in gravitational theory with a non-minimally coupled scalar field and a constant potential function. We show that the system can be reduced to an autonomous three-dimensional dynamical system and additionally is equipped with an invariant manifold corresponding to an accelerated expansion of the universe. Using this invariant manifold we find an exact solution of the reduced dynamics. We investigate all solutions for all admissible initial conditions using theory of dynamical systems to obtain a classification of all evolutional paths. The right-hand sides of the dynamical system depend crucially on the value of the non-minimal coupling constant therefore we study bifurcation values of this parameter under which the structure of the phase space changes qualitatively. We found a special bifurcation value of the non-minimal coupling constant which is distinguished by dynamics of the model and may suggest some additional symmetry in matter sector of the theory.

Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.

Science.gov (United States)

Kutateladze, Andrei G; Mukhina, Olga A

2014-09-05

Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. J. Org. Chem. 2011, 76, 4818), offers a framework for achieving practical evaluation of spin-spin coupling constants. We report a faster and more precise parametrization approach utilizing a new basis set for hydrogen atoms optimized in conjunction with (i) inexpensive B3LYP/6-31G(d) molecular geometries, (ii) inexpensive 4-31G basis set for carbon atoms in fc calculations, and (iii) individual parametrization for different atom types/hybridizations, not unlike a force field in molecular mechanics, but designed for the fc's. With the training set of 608 experimental constants we achieved rmsd <0.19 Hz. The methodology performs very well as we illustrate with a set of complex organic natural products, including strychnine (rmsd 0.19 Hz), morphine (rmsd 0.24 Hz), etc. This precision is achieved with much shorter computational times: accurate spin-spin coupling constants for the two conformers of strychnine were computed in parallel on two 16-core nodes of a Linux cluster within 10 min.

Temperature dependence of (+)-catechin pyran ring proton coupling constants as measured by NMR and modeled using GMMX search methodology

Science.gov (United States)

Fred L. Tobiason; Stephen S. Kelley; M. Mark Midland; Richard W. Hemingway

1997-01-01

The pyran ring proton coupling constants for (+)-catechin have been experimentally determined in deuterated methanol over a temperature range of 213 K to 313 K. The experimental coupling constants were simulated to 0.04 Hz on the average at a 90 percent confidence limit using a LAOCOON method. The temperature dependence of the coupling constants was reproduced from the...

EPR of exchange coupled systems

CERN Document Server

Bencini, Alessandro

2012-01-01

From chemistry to solid state physics to biology, the applications of Electron Paramagnetic Resonance (EPR) are relevant to many areas. This unified treatment is based on the spin Hamiltonian approach and makes extensive use of irreducible tensor techniques to analyze systems in which two or more spins are magnetically coupled. This edition contains a new Introduction by coauthor Dante Gatteschi, a pioneer and scholar of molecular magnetism.The first two chapters review the foundations of exchange interactions, followed by examinations of the spectra of pairs and clusters, relaxation in oligon

Influence of the Coulomb interaction on the exchange coupling in granular magnets.

Science.gov (United States)

Udalov, O G; Beloborodov, I S

2017-04-20

We develop a theory of the exchange interaction between ferromagnetic (FM) metallic grains embedded into insulating matrix by taking into account the Coulomb blockade effects. For bulk ferromagnets separated by the insulating layer the exchange interaction strongly depends on the height and thickness of the tunneling barrier created by the insulator. We show that for FM grains embedded into insulating matrix the exchange coupling additionally depends on the dielectric properties of this matrix due to the Coulomb blockade effects. In particular, the FM coupling decreases with decreasing the dielectric permittivity of insulating matrix. We find that the change in the exchange interaction due to the Coulomb blockade effects can be a few tens of percent. Also, we study dependence of the intergrain exchange interaction on the grain size and other parameters of the system.

Direct 13C-1H coupling constants in the vinyl group of 1-vinylpyrazoles

International Nuclear Information System (INIS)

Afonin, A.V.; Voronov, V.K.; Es'kova, L.A.; Domnina, E.S.; Petrova, E.V.; Zasyad'ko, O.V.

1987-01-01

In a continuation of a study of the rotational isomerism of 1-vinylpyrazoles, they studied the direct 13 C- 1 H coupling constants in the vinyl group of 1-vinylpyrazole, 1-vinyl-4-bromopyrazole, 1-vinyl-3-methylpyrazole, 1-vinyl-5-methylpyrazole, 1-vinyl-3,5-dimethylpyrazole, and 1-vinyl-4-nitro-3,5-dimethylpyrazole. The 13 C- 1 H direct coupling constants in the vinyl group of 1-vinylpyrazoles are stereo-specific and vary with change in the conformer ratio

Self-consistent calculation of the coupling constant in the Gross-Pitaevskii equation

International Nuclear Information System (INIS)

Cherny, A.Yu.; Brand, J.

2004-01-01

A method is proposed for a self-consistent evaluation of the coupling constant in the Gross-Pitaevskii equation without involving a pseudopotential replacement. A renormalization of the coupling constant occurs due to medium effects and the trapping potential, e.g., in quasi-1D or quasi-2D systems. It is shown that a simplified version of the Hartree-Fock-Bogoliubov approximation leads to a variational problem for both the condensate and a two-body wave function describing the behavior of a pair of bosons in the Bose-Einstein condensate. The resulting coupled equations are free of unphysical divergences. Particular cases of this scheme that admit analytical estimations are considered and compared to the literature. In addition to the well-known cases of low-dimensional trapping, crossover regimes can be studied. The values of the kinetic, interaction, external, and release energies in low dimensions are also evaluated and contributions due to short-range correlations are found to be substantial

Exchange coupling in hybrid anisotropy magnetic multilayers quantified by vector magnetometry

Energy Technology Data Exchange (ETDEWEB)

Morrison, C., E-mail: C.Morrison.2@warwick.ac.uk; Miles, J. J.; Thomson, T. [School of Computer Science, University of Manchester, Manchester M13 9PL (United Kingdom); Anh Nguyen, T. N. [Materials Physics, School of ICT, KTH Royal Institute of Technology, Electrum 229, 164 40 Kista (Sweden); Spintronics Research Group, Laboratory for Nanotechnology (LNT), VNU-HCM, Ho Chi Minh City (Viet Nam); Fang, Y.; Dumas, R. K. [Department of Physics, University of Gothenburg, 412 96 Gothenburg (Sweden); Åkerman, J. [Materials Physics, School of ICT, KTH Royal Institute of Technology, Electrum 229, 164 40 Kista (Sweden); Department of Physics, University of Gothenburg, 412 96 Gothenburg (Sweden)

2015-05-07

Hybrid anisotropy thin film heterostructures, where layers with perpendicular and in-plane anisotropy are separated by a thin spacer, are novel materials for zero/low field spin torque oscillators and bit patterned media. Here, we report on magnetization reversal and exchange coupling in a archetypal Co/Pd (perpendicular)-NiFe (in-plane) hybrid anisotropy system studied using vector vibrating sample magnetometry. This technique allows us to quantify the magnetization reversal in each individual magnetic layer, and measure of the interlayer exchange as a function of non-magnetic spacer thickness. At large (>1 nm) spacer thicknesses Ruderman-Kittel-Kasuya-Yosida-like exchange dominates, with orange-peel coupling providing a significant contribution only for sub-nm spacer thickness.

The behaviour of effective coupling constants in 'finite' grand unification theories in curved spacetime

International Nuclear Information System (INIS)

Buchbinder, I.L.; Odintsov, S.D.; Lichtzier, I.M.

1989-01-01

The question of the behaviour of effective coupling constants in one-loop 'finite' grand unification theories in curved spacetime is investigated. It is shown that in strong gravitational fields the effective coupling constant, corresponding to the parameter of non-minimal interaction of scalar and gravitational fields, tends to the conformal value or increases in an exponential fashion. The one-loop effective potential is obtained with accuracy to linear curvature terms. It is shown that, in external supergravity, supersymmetric finite theories admit asymptotic conformal invariance. (Author)

Isospin breaking in the pion-nucleon coupling constant and the nucleon-nucleon scattering length

Directory of Open Access Journals (Sweden)

V. A. Babenko

2016-08-01

Full Text Available Charge independence breaking (CIB in the pion-nucleon coupling constant and the nucleon-nucleon scattering length is considered on the basis of the Yukawa meson theory. CIB effect in these quantities is almost entirely explained by the mass difference between the charged and the neutral pions. Therewith charge splitting of the pion-nucleon coupling constant is almost the same as charge splitting of the pion mass. Calculated difference between the proton-proton and the neutron-proton scattering length in this case comprises ∼90% of the experimental value.

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

International Nuclear Information System (INIS)

Poleshchuk, O. K.; Branchadell, V.; Ritter, R. A.; Fateev, A. V.

2008-01-01

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

Energy Technology Data Exchange (ETDEWEB)

Poleshchuk, O. K., E-mail: poleshch@tspu.edu.ru [Tomsk State Pedagogical University (Russian Federation); Branchadell, V. [Universitat Autonoma de Barcelona, Departament de Quimica (Spain); Ritter, R. A.; Fateev, A. V. [Tomsk State Pedagogical University (Russian Federation)

2008-01-15

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

Modeling and calculation of RKKY exchange coupling to explain Ti-vacancy-induced ferromagnetism in Ta-doped TiO2

Science.gov (United States)

Majidi, Muhammad Aziz; Bupu, Annamaria; Fauzi, Angga Dito

2017-12-01

We present a theoretical study on Ti-vacancy-induced ferromagnetism in anatase TiO2. A recent experimental study has revealed room temperature ferromagnetism in Ta-doped anatase TiO2thin films (Rusydi et al., 2012) [7]. Ta doping assists the formation of Ti vacancies which then induce the formation of localized magnetic moments around the Ti vacancies. As neighboring Ti vacancies are a few unit cells apart, the ferromagnetic order is suspected to be mediated by itinerant electrons. We propose that such an electron-mediated ferromagnetism is driven by Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interaction. To examine our hypothesis, we construct a tight-binding based model Hamiltonian for the anatase TiO2 system. We calculate the RKKY exchange coupling constant of TiO2 as a function of distance between local magnetic moments at various temperatures. We model the system by taking only the layer containing a unit of TiO2, at which the Ti vacancy is believed to form, as our effective two-dimensional unit cell. Our model incorporates the Hubbard repulsive interactions between electrons occupying Ti d orbitals treated within mean-field approximation. The density of states profile resulting from the model captures the relevant electronic properties of TiO2, such as the energy gap of 3.4 eV and the n-type character, which may be a measure of the adequacy of the model. The calculated RKKY coupling constant shows that the ferromagnetic coupling extends up to 3-4 unit cells and enhances slightly as temperature is increased from 0 to 400 K. These results support our hypothesis that the ferromagnetism of this system is driven by RKKY mechanism.

On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

International Nuclear Information System (INIS)

Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.

2015-01-01

It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH 4 , NH 3 , H 2 O, SiH 4 , PH 3 , SH 2 , C 2 H 2 , C 2 H 4 , and C 2 H 6 . The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states

Effect of complexing reagents on the ionization constant of boric acid and its relation to isotopic exchange separation factor

International Nuclear Information System (INIS)

Sharma, B.K.; Subramanian, R.; Mathur, P.K.

1991-01-01

The effect of change in concentration of complexing reagents having two or more hydroxyl groups, viz., ethylene glycol, propylene glycol, dextrose and mannitol on the ionization constant of boric acid has been studied by pH-metric titration method. The effect of increase in ionization constant of boric acid on isotopic exchange separation factor for the separation of isotopes of boron by ion exchange chromatography has been studied by the batch method. (author). 9 refs

Antiferromagnetic exchange coupling measurements on single Co clusters

Science.gov (United States)

Wernsdorfer, W.; Leroy, D.; Portemont, C.; Brenac, A.; Morel, R.; Notin, L.; Mailly, D.

2009-03-01

We report on single-cluster measurements of the angular dependence of the low-temperature ferromagnetic core magnetization switching field in exchange-coupled Co/CoO core-shell clusters (4 nm) using a micro-bridge DC superconducting quantum interference device (μ-SQUID). It is observed that the coupling with the antiferromagnetic shell induces modification in the switching field for clusters with intrinsic uniaxial anisotropy depending on the direction of the magnetic field applied during the cooling. Using a modified Stoner-Wohlfarth model, it is shown that the core interacts with two weakly coupled and asymmetrical antiferromagnetic sublattices. Ref.: C. Portemont, R. Morel, W. Wernsdorfer, D. Mailly, A. Brenac, and L. Notin, Phys. Rev. B 78, 144415 (2008)

Neutron-proton analyzing power at 12 MeV and charged πNN coupling constant

International Nuclear Information System (INIS)

Braun, R.T.; Tornow, W.; Gonzalez Trotter, D.E.; Howell, C.R.; Machleidt, R.; Roper, C.D.; Salinas, F.; Setze, H.R.; Walter, R.L.

1995-01-01

Recent reanalysis of scattering data by the Nijmegen group has led to new values for the πNN coupling constants, g 2 πdegree /4π and g 2 π± /4π, about 6% smaller than the previously accepted values. The impact of this finding is far reaching. Since the neutron-proton A y (θ) is dominated at low energies by the one-pion-exchange mechanism, accurate np data should provide unique information as to the magnitude of g 2 π± /4π. Using a new experimental setup consisting of a shielded neutron source, a five-pair neutron detector array, a n- 4 He polarimeter, and an intense polarized source with fast spin-flipping capability, we have measured a 15 point angular distribution of the neutron-proton A y (θ) at and incident neutron energy of 12 MeV to a statistical accuracy of 5x10 -4 . We will discuss the data taking procedures, the analysis, and the corrections applied to the data. Preliminary results will be presented

The holomorphicity of the gauge coupling constant in supersymmetric gauge theories

International Nuclear Information System (INIS)

Li, H.

1993-01-01

Holomorphicity is the analytical dependence of the gauge coupling function, f = 1/g 2 + Θ/8π 2 , on the chiral fields in supergravity and supersymmetric gauge theories. The holomorphic property of 1/g 2 in supersymmetric gauge theories is studied by calculating its dependence on the mass matrix. The general representations of the mass matrix allowed by the constraints of gauge invariance is considered, and calculate the one- and two-loop corrections to 1/g 2 for both super QED and super Yang-Mills theories. For the massive mass matrix it is shown that one- and two-loop corrections to the gauge coupling constant are holomorphic. The reason for two-loop holomorphicity is that the second order logarithmic terms cancel out. For the mass matrix with at least one zero mode, it is recognized that there are two distinct cases which we call pseudo massive and intrinsically massless. For the case of pseudo mass matrix, the reducible representation of the gauge group is (i) complex with equal numbers of irreducible representations and their conjugates, (ii) real, or (iii) pseudo-real. Even though there are massless modes, it is found that the dependence of the gauge coupling constant on the mass matrix is holomorphic. This holomorphicity follows because the mass matrix can be perturbed to regularize the infrared divergence. For the case of intrinsically massless mass matrix, a reducible complex representation with unequal numbers of irreducible representations and their conjugates. The author shows that loop corrections to the gauge coupling constant are non-holomorphic. The reason is an infrared momentum cutoff is used which spins holomorphicity. The results show that, for the pseudo massive case, even though there is an infrared divergence, the one- and two-loop corrections are still holomorphic. Hence, it is concluded that non-holomorphicity is caused by the unbalanced numbers of families and antifamilies in the complex representation

Tailor-made nano-structured materials for perpendicular recording media and head-precise control of direct/indirect exchange coupling

International Nuclear Information System (INIS)

Takahashi, Migaku; Tsunoda, Masakiyo; Saito, Shin

2009-01-01

Tailor-made nano-structured spin materials obtained by precisely controlled nano-scale fabrication technologies for use in ultra-high density hard disk drives (HDDs), as well as an understanding of their nanomagnetics, are essential from the view point of materials, processes, and physics. Artificial control of the exchange coupling among ferromagnetic layers through the RKKY interaction (indirect) and direct exchange coupling represented as the exchange bias at the ferromagnetic (FM)/antiferromagnetic (AFM) interface are of great interest and have received significant attention to induce new modulated spin structures in conventional simple FM materials. In particular, soft magnetic under layer (SUL) with strong synthetic antiferromagnetic (SAF) coupling between two adjacent soft magnetic layers, exchange coupled stacked media introducing exchange coupling between FM layers and giant exchange anisotropy at the FM/AFM interface have attracted significant attention from the view point of applications. Within the framework of the present paper, we discuss future technical trends for SUL, granular media and the spin-valve head from the viewpoint of direct and/or indirect exchange coupling based on our recent results

How Precisely can we Determine the $\\piNN$ Coupling Constant from the Isovector GMO Sum Rule?

CERN Document Server

Loiseau, B; Thomas, A W

1999-01-01

The isovector GMO sum rule for zero energy forward pion-nucleon scattering iscritically studied to obtain the charged pion-nucleon coupling constant usingthe precise negatively charged pion-proton and pion-deuteron scattering lengthsdeduced recently from pionic atom experiments. This direct determination leadsto a pseudoscalar charged pion-nucleon coupling constant of 14.23 +- 0.09(statistic) +- 0.17 (systematic). We obtain also accurate values for thepion-nucleon scattering lengths.

Chemical trend of exchange coupling in diluted magnetic II-VI semiconductors: Ab initio calculations

Science.gov (United States)

Chanier, T.; Virot, F.; Hayn, R.

2009-05-01

We have calculated the chemical trend of magnetic exchange parameters ( Jdd , Nα , and Nβ ) of Zn-based II-VI semiconductors ZnA ( A=O , S, Se, and Te) doped with Co or Mn. We show that a proper treatment of electron correlations by the local spin-density approximation (LSDA)+U method leads to good agreement between experimental and theoretical values of the nearest-neighbor exchange coupling Jdd between localized 3d spins in contrast to the LSDA method. The exchange couplings between localized spins and doped electrons in the conduction band Nα are in good agreement with experiment as well. But the values for Nβ (coupling to doped holes in the valence band) indicate a crossover from weak coupling (for A=Te and Se) to strong coupling (for A=O ) and a localized hole state in ZnO:Mn. This hole localization explains the apparent discrepancy between photoemission and magneto-optical data for ZnO:Mn.

Hydrogen-exchange kinetics of the indole NH proton of the buried tryptophan in the constant fragment of the immunoglobulin light chain

International Nuclear Information System (INIS)

Kawata, Y.; Goto, Y.; Hamaguchi, K.; Hayashi, F.; Kobayashi, Y.; Kyogoku, Y.

1988-01-01

The constant fragment of the immunoglobulin light chain (type λ) has two trytophyl residues at positions 150 and 187. Trp-150 is buried in the interior, and Trp-187 lies on the surface of the molecule. The hydrogen-deuterium exchange kinetics of the indole NH proton Trp-150 were studied at various pH values at 25 0 C by 1 H nuclear magnetic resonance. Exchange rates were approximately first order in hydroxyl ion dependence above pH 8, were relatively independent of pH between pH 7 and 8, and decreased below pH 7. On the assumption that the exchange above pH 8 proceeds through local fluctuations of the protein molecule, the exchange rates between pH 7 and 8 through global unfolding were estimated. The exchange rate constant within this pH range at 25 0 C thus estimated was consistent with that of the global unfolding of the constant fragment under the same conditions as those reported previously. The activation energy for the exchange process at pH 7.8 was the same as that for the unfolding process by 2 M guanidine hydrochloride. The exchange rates of backbone NH protons were almost the same as that of the indole NH proton of Trp-150 at pH 7.l. These observations also indicated that the exchange between pH 7 and 8 occurs through global unfolding of the protein molecule and is rate-limited by the unfolding. At around pH 9, on the other hand, the activation energy for the exchange process of the indole NH proton of Trp-150 was smaller than that for the unfolding process, and the exchange rates differed according to the different signals of backbone NH protons. These findings together with the pH dependence of the rate constant indicated that exchange due to local fluctuations is predominant above pH 8

Global synchronization in arrays of delayed neural networks with constant and delayed coupling

International Nuclear Information System (INIS)

Cao Jinde; Li Ping; Wang Weiwei

2006-01-01

This Letter investigates the global exponential synchronization in arrays of coupled identical delayed neural networks (DNNs) with constant and delayed coupling. By referring to Lyapunov functional method and Kronecker product technique, some sufficient conditions are derived for global synchronization of such systems. These new synchronization criteria offer some adjustable matrix parameters, which is of important significance in the design and applications of such coupled DNNs, and the results improve and extend the earlier works. Finally, an example is given to illustrate the theoretical results

Coupling constant metamorphosis and Nth-order symmetries in classical and quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Kalnins, E G [Department of Mathematics and Statistics, University of Waikato, Hamilton (New Zealand); Miller, W Jr; Post, S [School of Mathematics, University of Minnesota, Minneapolis, MN 55455 (United States)], E-mail: miller@ima.umn.edu

2010-01-22

We review the fundamentals of coupling constant metamorphosis (CCM) and the Staeckel transform, and apply them to map integrable and superintegrable systems of all orders into other such systems on different manifolds. In general, CCM does not preserve the order of constants of the motion or even take polynomials in the momenta to polynomials in the momenta. We study specializations of these actions which preserve polynomials and also the structure of the symmetry algebras in both the classical and quantum cases. We give several examples of non-constant curvature third- and fourth-order superintegrable systems in two space dimensions obtained via CCM, with some details on the structure of the symmetry algebras preserved by the transform action.

Coupling constant metamorphosis and Nth-order symmetries in classical and quantum mechanics

International Nuclear Information System (INIS)

Kalnins, E G; Miller, W Jr; Post, S

2010-01-01

We review the fundamentals of coupling constant metamorphosis (CCM) and the Staeckel transform, and apply them to map integrable and superintegrable systems of all orders into other such systems on different manifolds. In general, CCM does not preserve the order of constants of the motion or even take polynomials in the momenta to polynomials in the momenta. We study specializations of these actions which preserve polynomials and also the structure of the symmetry algebras in both the classical and quantum cases. We give several examples of non-constant curvature third- and fourth-order superintegrable systems in two space dimensions obtained via CCM, with some details on the structure of the symmetry algebras preserved by the transform action.

Exchangers man the pumps: Functional interplay between proton pumps and proton-coupled Ca exchangers.

Science.gov (United States)

Barkla, Bronwyn J; Hirschi, Kendal D; Pittman, Jon K

2008-05-01

Tonoplast-localised proton-coupled Ca(2+) transporters encoded by cation/H(+)exchanger (CAX) genes play a critical role in sequestering Ca(2+) into the vacuole. These transporters may function in coordination with Ca(2+) release channels, to shape stimulus-induced cytosolic Ca(2+) elevations. Recent analysis of Arabidopsis CAX knockout mutants, particularly cax1 and cax3, identified a variety of phenotypes including sensitivity to abiotic stresses, which indicated that these transporters might play a role in mediating the plant's stress response. A common feature of these mutants was the perturbation of H(+)-ATPase activity at both the tonoplast and the plasma membrane, suggesting a tight interplay between the Ca(2+)/H(+) exchangers and H(+) pumps. We speculate that indirect regulation of proton flux by the exchangers may be as important as the direct regulation of Ca(2+) flux. These results suggest cautious interpretation of mutant Ca(2+)/H(+) exchanger phenotypes that may be due to either perturbed Ca(2+) or H(+) transport.

Observation of H-bond mediated 3hJH2H3coupling constants across Watson-Crick AU base pairs in RNA

International Nuclear Information System (INIS)

Luy, Burkhard; Richter, Uwe; DeJong, Eric S.; Sorensen, Ole W.; Marino, John P.

2002-01-01

3h J H2H3 trans-hydrogen bond scalar coupling constants have been observed for the first time in Watson-Crick AU base pairs in uniformly 15 N-labeled RNA oligonucleotides using a new 2h J NN -HNN-E. COSY experiment. The experiment utilizes adenosine H2 (AH2) for original polarization and detection, while employing 2h J NN couplings for coherence transfer across the hydrogen bonds (H-bonds). The H3 protons of uracil bases are unperturbed throughout the experiment so that these protons appear as passive spins in E. COSY patterns. 3h J H2H3 coupling constants can therefore be accurately measured in the acquisition dimension from the displacement of the E. COSY multiplet components, which are separated by the relatively large 1 J H3N3 coupling constants in the indirect dimension of the two-dimensional experiment. The 3h J H2H3 scalar coupling constants determined for AU base pairs in the two RNA hairpins examined here have been found to be positive and range in magnitude up to 1.8 Hz. Using a molecular fragment representation of an AU base pair, density functional theory/finite field perturbation theory (DFT/FPT) methods have been applied to attempt to predict the relative contributions of H-bond length and angular geometry to the magnitude of 3h J H2H3 coupling constants. Although the DFT/FPT calculations did not reproduce the full range of magnitude observed experimentally for the 3h J H2H3 coupling constants, the calculations do predict the correct sign and general trends in variation in size of these coupling constants. The calculations suggest that the magnitude of the coupling constants depends largely on H-bond length, but can also vary with differences in base pair geometry. The dependency of the 3h J H2H3 coupling constant on H-bond strength and geometry makes it a new probe for defining base pairs in NMR studies of nucleic acids

On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

Energy Technology Data Exchange (ETDEWEB)

Zarycz, M. Natalia C., E-mail: mnzarycz@gmail.com; Provasi, Patricio F., E-mail: patricio@unne.edu.ar [Department of Physics, University of Northeastern - CONICET, Av. Libertad 5500, Corrientes W3404AAS (Argentina); Sauer, Stephan P. A., E-mail: sauer@kiku.dk [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

2015-12-28

It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Faber, Rasmus; Sauer, Stephan P. A. [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

2015-12-31

We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation in the DALTON program, at the density functional theory level with the B3LYP functional employing also the Dalton program and at the level of coupled cluster singles and doubles (CCSD) theory employing the implementation in the CFOUR program. Specialized coupling constant basis sets, aug-cc-pVTZ-J, have been employed in the calculations. We find that on average the SOPPA results for both the equilibrium geometry values and the zero-point vibrational corrections are in better agreement with the CCSD results than the corresponding B3LYP results. Furthermore we observed that the vibrational corrections are in the order of 5 Hz for the one-bond carbon-hydrogen couplings and about 1 Hz or smaller for the other couplings apart from the one-bond carbon-carbon coupling (11 Hz) and the two-bond carbon-hydrogen coupling (4 Hz) in ethyne. However, not for all couplings lead the inclusion of zero-point vibrational corrections to better agreement with experiment.

The effective baryon-lepton coupling constant and the parity of leptons

International Nuclear Information System (INIS)

Lucha, W.; Stremnitzer, H.

1981-01-01

Using a phenomenological ansatz for the Lagrangian of baryon- and lepton-number violating interactions the effective baryon-lepton coupling constant is calculated within the framework of a relativistic quark model. Apart from a calculation of B-number violating cross-sections and decays this ansatz allows for a definition of the parity of leptons relative to baryons. (Auth.)

The nucleon axial isoscalar coupling constant and the Bjorken sum rule

International Nuclear Information System (INIS)

Belyaev, V.M.; Ioffe, B.L.; Kogan, Ya.I.

1984-01-01

The nucleon coupling constant with the axial isoscalar current entering the Bjorken sum rule for the deep inelastic scattering of polarized electrons on a polarized target is calculated in nonperturbative QCD. The result, gsub(A)sup(s) approximately 0.5, is about a factor of two smaller as compared to that of the SU(6) symmetric quark model

Chiral symmetry effect on the pion-nucleon coupling constant; O efeito da simetria quiral na constante de acoplamento pion-nucleon

Energy Technology Data Exchange (ETDEWEB)

Araujo, Vanilse da Silva

1997-12-31

In this work we study the effects of chiral symmetry in the pion-nucleon coupling constant in the context of the linear {sigma}- model. First, we introduce the linear {sigma}-model and we discuss the phenomenological hypothesis of CVC and PCAC. Next, we calculate the coupling constant g+{pi}{sub NN}(q{sup 2}) and the nucleon pionic mean square radius considering the contribution of all the diagrams up to one-loop in the framework of the linear {sigma}-model for different values of the mass of the sigma meson and we compare them with the phenomenological form factors. Finally we make an extension of the linear {sigma}-model that consists of taking into account the mass differences of ions and nucleons into the Lagrangian of the model, to study the change dependence of g{sub {pi}nn} (q{sup 2}) and of the mean square radius. (author) 21 refs., 17 figs., 4 tabs.

S³ HMBC hetero: Spin-State-Selective HMBC for accurate measurement of long-range heteronuclear coupling constants

DEFF Research Database (Denmark)

Hoeck, Casper; Gotfredsen, Charlotte Held; Sørensen, Ole W.

2017-01-01

A novel method, Spin-State-Selective (S3) HMBC hetero, for accurate measurement of heteronuclear coupling constants is introduced. The method extends the S3 HMBC technique for measurement of homonuclear coupling constants by appending a pulse sequence element that interchanges the polarization...

Exchangers man the pumps: Functional interplay between proton pumps and proton-coupled Ca(2+) exchangers

Science.gov (United States)

Tonoplast-localised proton-coupled Ca(2+) transporters encoded by cation/H(+) exchanger (CAX) genes play a critical role in sequestering Ca(2+) into the vacuole. These transporters may function in coordination with Ca(2+) release channels, to shape stimulus-induced cytosolic Ca(2+) elevations. Recen...

Ratiometric analysis in hyperpolarized NMR (I): test of the two-site exchange model and the quantification of reaction rate constants.

Science.gov (United States)

Li, Lin Z; Kadlececk, Stephen; Xu, He N; Daye, Dania; Pullinger, Benjamin; Profka, Harrilla; Chodosh, Lewis; Rizi, Rahim

2013-10-01

Conventional methods for the analysis of in vivo hyperpolarized (13) C NMR data from the lactate dehydrogenase (LDH) reaction usually make assumptions on the stability of rate constants and/or the validity of the two-site exchange model. In this study, we developed a framework to test the validity of the assumption of stable reaction rate constants and the two-site exchange model in vivo via ratiometric fitting of the time courses of the signal ratio L(t)/P(t). Our analysis provided evidence that the LDH enzymatic kinetics observed by hyperpolarized NMR are in near-equilibrium and satisfy the two-site exchange model for only a specific time window. In addition, we quantified both the forward and reverse exchange rate constants of the LDH reaction for the transgenic and mouse xenograft models of breast cancer using the ratio fitting method developed, which includes only two modeling parameters and is less sensitive to the influence of instrument settings/protocols, such as flip angles, degree of polarization and tracer dosage. We further compared the ratio fitting method with a conventional two-site exchange modeling method, i.e. the differential equation fitting method, using both the experimental and simulated hyperpolarized NMR data. The ratio fitting method appeared to fit better than the differential equation fitting method for the reverse rate constant on the mouse tumor data, with less relative errors on average, whereas the differential equation fitting method also resulted in a negative reverse rate constant for one tumor. The simulation results indicated that the accuracy of both methods depends on the width of the transport function, noise level and rate constant ratio; one method may be more accurate than the other based on the experimental/biological conditions aforementioned. We were able to categorize our tumor models into specific conditions of the computer simulation and to estimate the errors of rate quantification. We also discussed possible

The kaon-nucleon interaction in the meson-exchange picture

International Nuclear Information System (INIS)

Buettgen, R.

1988-07-01

In this thesis we dealt with the free kaon-nucleon interaction which was constructed analogously to the Bonn potential in the meson-exchange picture. Identical vertices in the NN and KN interaction are parametrized by equal coupling constants and cut-off masses. Under the assumption of a SU(3) invariant interactions relations between the coupling constants have been determined so that also the experimentally only roughly known coupling constants to the strange vertices are fixed. The remaining free cut-off masses in the kaon vertices are fitted to the empirical scattering data. On the base of one-particle exchange processes the contribution of higher-order diagrams (box potentials with intermediate NK * , ΔK * , and ΔK states) in scattering phases, cross sections, and polarizations was studied. In the partial waves P 13 and D 03 the two-meson exchange processes lead to an essential improvement in the description of the empirical scattering phases. In the comparison of the calculated KN observables with the experimentally determined values (especially for the polarization in the elastic K + n channel) also the positive influence of the box potentials is shown. In the last part of the thesis for the similarly structured πN system it was studied whether here also the inclusion of uncorrelated two-meson exchange processes can remove the characteristical difficulties in the description of the empirical πN data. It results that the existing discrepancies between theoretical and empirical scattering phases can in this case not be removed by these higher-order processes. (orig./HSI) [de

Precision determination of the strong coupling constant within a global PDF analysis

NARCIS (Netherlands)

Ball, Richard D.; Carrazza, Stefano; Debbio, Luigi Del; Forte, Stefano; Kassabov, Zahari; Rojo, Juan; Slade, Emma; Ubiali, Maria

2018-01-01

We present a determination of the strong coupling constant $\\alpha_s(m_Z)$ based on the NNPDF3.1 determination of parton distributions, which for the first time includes constraints from jet production, top-quark pair differential distributions, and the $Z$ $p_T$ distributions using exact NNLO

Systematic effects in the determination of the π N N coupling from p-barp → n-barn differential cross section

International Nuclear Information System (INIS)

Ericson, T.; Loiseau, B.

1996-10-01

It is shown that the πNN coupling constant extracted model-independently from p-barp charge exchange is subject to a systematic correction, and, more important, that the strong absorption in the critical region prevents a determination of the coupling constant to high precision using this process. This attenuates the possible conflict with the value determined from the np charge exchange cross sections. (author)

Possible generalization of the method of evolution in the coupling constant

International Nuclear Information System (INIS)

Belyaev, V.B.; Solovtsova, O.P.

1980-01-01

Two possible generalizations of the method of evolution in the coupling constant are presented. The consideration is given for a concrete case of the three-body problem: the πd scattering at the zeroth pion energy. It is shown that two approaches provide the value for the πd scattering length which is close to that obtained by solving the Faddeev equations [ru

Ab initio calculation of transition state normal mode properties and rate constants for the H(T)+CH4(CD4) abstraction and exchange reactions

International Nuclear Information System (INIS)

Schatz, G.C.; Walch, S.P.; Wagner, A.F.

1980-01-01

We present ab initio (GVB--POL--CI) calculations for enough of the region about the abstraction and exchange saddle points for H(T)+CH 4 (CD 4 ) to perform a full normal mode analysis of the transition states. The resulting normal mode frequencies are compared to four other published surfaces: an ab initio UHF--SCF calculation by Carsky and Zahradnik, a semiempirical surface by Raff, and two semiempirical surfaces by Kurylo, Hollinden, and Timmons. Significant quantitative and qualitative differences exist between the POL--CI results and those of the other surfaces. Transition state theory rate constants and vibrationally adiabatic reaction threshold energies were computed for all surfaces and compared to available experimental values. For abstraction, the POL--CI rates are in good agreement with experimental rates and in better agreement than are the rates of any of the other surfaces. For exchange, uncertainties in the experimental values and in the importance of vibrationally nonadiabatic effects cloud the comparison of theory to experiment. Tentative conclusions are that the POL--CI barrier is too low by several kcal. Unless vibrationaly nonadiabatic effects are severe, the POL--CI surface is still in better agreement with experiment than are the other surfaces. The rates for a simple 3-atom transition state theory model (where CH 3 is treated as an atom) are compared to the rates for the full 6-atom model. The kinetic energy coupling of reaction coordinate modes to methyl group modes is identified as being of primary importance in determining the accuracy of the 3-atom model for this system. Substantial coupling in abstraction, but not exchange, causes the model to fail for abstraction but succeed for exchange

First example of a high-level correlated calculation of the indirect spin-spin coupling constants involving tellurium

DEFF Research Database (Denmark)

Rusakov, Yury Yu; Krivdin, Leonid B.; Østerstrøm, Freja From

2013-01-01

This paper documents a very first example of a high-level correlated calculation of spin-spin coupling constants involving tellurium taking into account relativistic effects, vibrational corrections and solvent effects for the medium sized organotellurium molecules. The 125Te-1H spin-spin coupling...... constants of tellurophene and divinyl telluride were calculated at the SOPPA and DFT levels in a good agreement with experiment. A new full-electron basis set av3z-J for tellurium derived from the "relativistic" Dyall's basis set, dyall.av3z, and specifically optimized for the correlated calculations...... of spin-spin coupling constants involving tellurium, was developed. The SOPPA methods show much better performance as compared to 15 those of DFT, if relativistic effects calculated within the ZORA scheme are taken into account. Vibrational and solvent corrections are next to negligible, while...

The renormalised π NN coupling constant and the P-wave phase shifts in the cloudy bag model

International Nuclear Information System (INIS)

Pearce, B.C.; Afnan, I.R.

1986-02-01

Most applications of the cloudy bag model to π N scattering involve unitarising the bare diagrams arising from the Lagrangian by iterating in a Lippmann-Schwinger equation. However analyses of the renormalisation of the coupling constant proceed by iterating the Lagrangian to a given order in the bare coupling constant. These two different approaches means there is an inconsistency between the calculation of phase shifts and the calculation of renormalisation. A remedy to this problem is presented that has the added advantage of improving the fit to the phase shifts in the P 11 channel. This is achieved by using physical values of the coupling constant in the crossed diagram which reduces the repulsion rather than adds attraction. This approach can be justified by examining equations for the π π N system that incorporate three-body unitarity

Induced magnetic structure in exchange-coupled ferro-/antiferromagnet thin films

Science.gov (United States)

Morales, Rafael

2007-03-01

The most prominent feature observed in exchange-coupled ferromagnetic/ antiferromagnetic (FM/AF) bilayers is the so-called exchange bias field (HEB), i.e. the shift of the hysteresis loop along the magnetic field axis. However the exchange bias phenomenon can induce other interesting effects on the FM. In this talk we show two methods to establish a bi-domain state in the FM, due to the coexistence of domains with opposite sign of HEB [1-3]. Magneto-optical, polarized neutron and soft X-ray measurements show that this lateral structure becomes more complex for low magnetocrystalline anisotropy materials where a spin depth profile is created in the FM due to the exchange coupling with the AF [4-6]. The internal magnetic structure in the AF and its role on exchange bias has also been investigated using FM/AF/FM trilayers. These studies demonstrate that the bulk spin configuration in the AF plays a crucial role in the pinning of uncompensated spins at the interface thus determining the HEB . Supported by the US-DOE, European Marie-Curie-OIF and the Alfred P. Sloan Foundation. [1] O. Petracic et al. Appl. Phys. Lett. 87, 222509 (2005) [2] I. V. Roshchin et al. Europhys. Lett. 71, 297 (2005) [3] J. Olamit et al. Phys. Rev. B 72, 012408 (2005) [4] R. Morales et al. Appl. Phys. Lett. 89, 072504 (2006) [5] S. Roy et al. Phys. Rev. Lett. 95, 047201 (2005) [6] Z-P. Li et al. Phys. Rev. Lett. 96, 217205 (2006)

S3 HMBC: Spin-State-Selective HMBC for accurate measurement of homonuclear coupling constants. Application to strychnine yielding thirteen hitherto unreported JHH

DEFF Research Database (Denmark)

Kjaerulff, Louise; Benie, Andrew J.; Hoeck, Casper

2016-01-01

A novel method, Spin-State-Selective (S3) HMBC, for accurate measurement of homonuclear coupling constants is introduced. As characteristic for S3 techniques, S3 HMBC yields independent subspectra corresponding to particular passive spin states and thus allows determination of coupling constants ...... are demonstrated by an application to strychnine where thirteen JHH coupling constants not previously reported could be measured....

Restrictions on the masses and coupling constants of excited intermediate bosons

International Nuclear Information System (INIS)

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

1985-01-01

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

Meson-baryon coupling constants from a chiral-invariant SU(3) Lagrangian and application to NN scattering

International Nuclear Information System (INIS)

Stoks, V.G.J.

1997-01-01

We present a chiral-invariant meson-baryon Lagrangian which describes the interactions of the baryon octet with the lowest-mass meson nonets. The nonlinear realization of the chiral symmetry generates pair-meson interaction vertices. The corresponding pair-meson coupling constants can all be expressed in terms of the meson-nucleon-nucleon pseudovector, scalar, and vector coupling constants, and their corresponding F/(F+D) ratios, and for which empirical estimates are given. We show that it is possible to construct an NN potential of reasonable quality satisfying these theoretical and empirical constraints. (orig.)

Effects of the anion salt nature on the rate constants of the aqueous proton exchange reactions.

Science.gov (United States)

Paredes, Jose M; Garzon, Andres; Crovetto, Luis; Orte, Angel; Lopez, Sergio G; Alvarez-Pez, Jose M

2012-04-28

The proton-transfer ground-state rate constants of the xanthenic dye 9-[1-(2-methyl-4-methoxyphenyl)]-6-hydroxy-3H-xanthen-3-one (TG-II), recovered by Fluorescence Lifetime Correlation Spectroscopy (FLCS), have proven to be useful to quantitatively reflect specific cation effects in aqueous solutions (J. M. Paredes, L. Crovetto, A. Orte, J. M. Alvarez-Pez and E. M. Talavera, Phys. Chem. Chem. Phys., 2011, 13, 1685-1694). Since these phenomena are more sensitive to anions than to cations, in this paper we have accounted for the influence of salts with the sodium cation in common, and the anion classified according to the empirical Hofmeister series, on the proton transfer rate constants of TG-II. We demonstrate that the presence of ions accelerates the rate of the ground-state proton-exchange reaction in the same order than ions that affect ion solvation in water. The combination of FLCS with a fluorophore undergoing proton transfer reactions in the ground state, along with the desirable feature of a pseudo-dark state when the dye is protonated, allows one unique direct determination of kinetic rate constants of the proton exchange chemical reaction. This journal is © the Owner Societies 2012

The /sup 13/C-/sup 13/C spin-spin coupling constants and the conformational equilibrium of alkyl phenyl sulfides

Energy Technology Data Exchange (ETDEWEB)

Krividin, L.B.; Kalabin, G.A.

1985-08-10

The authors measure the direct geminal and vicinal spinspin coupling constants between the C-13 nuclei of the phenyl group in the series of alkyl phenyl sulfides C/sub 6/H/sub 5/SR. It was shown that the variation in most of the discussed constants is determined by the ratio of the planar and orthogonal conformers. Linear relationships were obtained between the C-13-C-13 constants and the fractions of the planar conformer. The C-13-C-13 spin-spin coupling constants in the planar and orthogonal conformers of the compounds were calculated by means of empirical relationships.

Perturbation theory at large order in more than one coupling constant for a field theory with fermions

International Nuclear Information System (INIS)

Chowdhury, A.R.; Roy, T.

1980-01-01

We have considered the problem of evaluating the large order estimates of perturbation theory in a quantum field theory with more than one coupling constant. The theory considered is four dimensional and possesses instanton-type solutions. It contains a Boson field coupled with a Fermion through the usual g anti psi psi phi type interaction, along with the self-interaction of the Boson lambda phi 4 . Our analysis reveals a phenomenon not observed in a theory with only one coupling constant. One gets different kinds of behavior in different regions of the (lambda, g) plane. The results are quite encouraging for the application to more realistic field theories

Optimization of spring exchange coupled ferrites, studied by in situ neutron diffraction

DEFF Research Database (Denmark)

Ahlburg, Jakob; Christensen, Mogens; Granados-Miralles, Cecilia

origins from the 4f orbitals which can contain up to 14 electrons. But since REM are both expensive and difficult to mine, a great demand has come for cheaper types of magnets with a similar magnetic performance. A candidate could be the transition metal oxides. Here the magnetic contribution origins from...... the magnetic energy product. For the exchange coupling to happen it is crucial to have the right ratio between the hard and the soft phase but also to control the size of the particles since exchange coupling is a very small range effect. In this study, nanoparticles of the spinel CoFe2O4 (hard magnet...

Relativistic DFT calculations of hyperfine coupling constants in the 5d hexafluorido complexes

DEFF Research Database (Denmark)

Haase, Pi Ariane Bresling; Repisky, Michal; Komorovsky, Stanislav

2018-01-01

We have investigated the performance of the most popular relativistic density functional theory methods, zeroth order regular approximation (ZORA) and 4-component Dirac-Kohn-Sham (DKS), in the calculation of the recently measured hyperfine coupling constants of ReIV and IrIV in their hexafluorido...

Should the coupling constants be mass dependent in the relativistic mean field models

International Nuclear Information System (INIS)

Levai, P.; Lukacs, B.

1986-05-01

Mass dependent coupling constants are proposed for baryonic resonances in the relativistic mean field model, according to the mass splitting of the SU-6 multiplet. With this choice the negative effective masses are avoided and the system remains nucleon dominated with moderate antidelta abundance. (author)

13C, 1H spin-spin coupling constants. Pt. 4

International Nuclear Information System (INIS)

Aydin, R.; Guenther, H.

1979-01-01

One-bond, geminal, and vicinal 13 C, 1 H coupling constants have been determined for adamantane using α-and β-[D]adamantane and the relation sup(n)J( 13 C, 1 H)=6,5144sup(n)J( 13 C, 2 H) for the conversion of the measured sup(n)J( 13 C, 2 H) values. It is shown that the magnitude of 3 Jsub(trans) is strongly influenced by the substitution pattern. Relative H,D isotope effects for 13 C chemical shifts are given. (orig.) [de

Renormalization group analysis of the temperature dependent coupling constant in massless theory

International Nuclear Information System (INIS)

Yamada, Hirofumi.

1987-06-01

A general analysis of finite temperature renormalization group equations for massless theories is presented. It is found that in a direction where momenta and temperature are scaled up with their ratio fixed the coupling constant behaves in the same manner as in zero temperature and that asymptotic freedom at short distances is also maintained at finite temperature. (author)

Addition and spin exchange rate constants by longitudinal field μSR: the Mu + NO reaction

International Nuclear Information System (INIS)

Senba, Masayoshi; Gonzalez, A.C.; Kempton, J.R.; Arseneau, D.J.; Pan, J.J.; Tempelmann, A.; Fleming, D.G.

1991-01-01

The addition reaction Mu + NO + M → MuNO + M and the spin exchange reaction Mu(↑) + NO(↓)→Mu(↓)+NO(↑) have been measured by longitudinal field μSR at room temperature in the presence of up to 58 atm of N 2 as inert collider. The pressure dependence of the longitudinal relaxation rate due to the addition reaction (λ c ) demonstrates that the system is still in the low pressure regime in this pressure range. The corresponding termolecular rate constant has been determined as k 0.Mu =(1.10±0.25)x10 -32 cm 6 molecules -2 s -1 , almost 4 times smaller than the corresponding H atom reaction k 0,H =3.90x10 -32 cm 6 molecules -2 s -1 . The average value of the spin exchange rate constants in the 2.5-58 atm pressure range, k SE = (3.16±0.06)x10 -10 cm 3 molecule -1 s -1 , is in good agreement with previous values obtained by transverse field μSR. (orig.)

Nuclear matter studies with density-dependent meson-nucleon coupling constants

International Nuclear Information System (INIS)

Banerjee, M.K.; Tjon, J.A.; Banerjee, M.K.; Tjon, J.A.

1997-01-01

Due to the internal structure of the nucleon, we should expect, in general, that the effective meson nucleon parameters may change in nuclear medium. We study such changes by using a chiral confining model of the nucleon. We use density-dependent masses for all mesons except the pion. Within a Dirac-Brueckner analysis, based on the relativistic covariant structure of the NN amplitude, we show that the effect of such a density dependence in the NN interaction on the saturation properties of nuclear matter, while not large, is quite significant. Due to the density dependence of the g σNN , as predicted by the chiral confining model, we find, in particular, a looping behavior of the binding energy at saturation as a function of the saturation density. A simple model is described, which exhibits looping and which is shown to be mainly caused by the presence of a peak in the density dependence of the medium modified σN coupling constant at low density. The effect of density dependence of the coupling constants and the meson masses tends to improve the results for E/A and density of nuclear matter at saturation. From the present study we see that the relationship between binding energy and saturation density may not be as universal as found in nonrelativistic studies and that more model dependence is exhibited once medium modifications of the basic nuclear interactions are considered. copyright 1997 The American Physical Society

Strong coupling constant from Adler function in lattice QCD

Science.gov (United States)

Hudspith, Renwick J.; Lewis, Randy; Maltman, Kim; Shintani, Eigo

2016-09-01

We compute the QCD coupling constant, αs, from the Adler function with vector hadronic vacuum polarization (HVP) function. On the lattice, Adler function can be measured by the differential of HVP at two different momentum scales. HVP is measured from the conserved-local vector current correlator using nf = 2 + 1 flavor Domain Wall lattice data with three different lattice cutoffs, up to a-1 ≈ 3.14 GeV. To avoid the lattice artifact due to O(4) symmetry breaking, we set the cylinder cut on the lattice momentum with reflection projection onto vector current correlator, and it then provides smooth function of momentum scale for extracted HVP. We present a global fit of the lattice data at a justified momentum scale with three lattice cutoffs using continuum perturbation theory at 𝒪(αs4) to obtain the coupling in the continuum limit at arbitrary scale. We take the running to Z boson mass through the appropriate thresholds, and obtain αs(5)(MZ) = 0.1191(24)(37) where the first is statistical error and the second is systematic one.

Use of the ion exchange method for determination of stability constants of uranyl ions with three soil humic acids

International Nuclear Information System (INIS)

Tao Zuyi; Du Jinzhou

1994-01-01

The ion exchange equilibrium method proposed by Ardakani and Stevenson has not been widely used to determine the stability constants of metal-soil organic matter complexes. In this paper the Ardakani-Stevenson's method has been modified and the stability constants of uranyl ion complexes with three soil humic acids were determined by using the modified Ardakani-Stevenson's method. (orig.)

$K^{\\pm}n$ forward dispersion relations and the KN$\\Sigma$ coupling constant

CERN Document Server

Baillon, Paul; Ferro-Luzzi, M; Jenni, Peter; Perreau, J M; Tripp, R D; Ypsilantis, Thomas; Déclais, Y; Séguinot, Jacques

1976-01-01

Recent measurements of the K/sup -/n forward scattering amplitude at 1.2, 1.4, 2.6 GeV/c are used in a once-subtracted dispersion relation to determine the value of the KN Sigma coupling constant. The result is g/sub Sigma //sup 2/=1.9+or-3.2, in agreement with the prediction of the SU(3) theory.

First-order-reversal-curve analysis of exchange-coupled SmCo/NdFeB nanocomposite alloys

International Nuclear Information System (INIS)

Pan, Mingxiang; Zhang, Pengyue; Ge, Hongliang; Yu, Nengjun; Wu, Qiong

2014-01-01

Exchange-coupled SmCo 5 /Nd 2 Fe 14 B nanocomposite magnets have been fabricated by ball milling of the micrometer sized SmCo 5 and Nd 2 Fe 14 B powders. The influence of Nd 2 Fe 14 B content on the microstructure and magnetic properties of these hybrid alloys was investigated. The alloys that show strong intergrain exchange-coupling behavior with (BH) max =2.95 MGOe was obtained when the two hard phases are well coupled. A first-order-reversal-curve (FORC) analysis was performed for both SmCo 5 single-phase magnet and SmCo 5 /Nd 2 Fe 14 B hybrid magnet; the FORC diagrams results show two major peaks for the hybrid magnets. In both cases, the magnetization reversal behaviors for these alloys were discussed in detail and are consistent with the results of δM plots. - Highlights: • Exchange-coupled SmCo 5 /Nd 2 Fe 14 B nanocomposite magnets were studied. • Magnetization reversal behaviors of the hybrid magnet were discussed. • The FORCs analysis is taken to identify the optimal conditions for hybrid magnet

The πHe3H3 coupling constant estimation using the Chew-Low equation

International Nuclear Information System (INIS)

Mach, R.; Nichitiu, F.

1976-01-01

A semi-phenomenological analysis of the π +- He 3 elastic scattering at 98, 120, 135 and 156 Mev is presented. An information of the πHe 3 H 3 coupling constant using the Chew-Low plot for the P 33 partial wave is obtained. (author)

The πHe3H3 coupling constant estimation using the Chew-Low equation

International Nuclear Information System (INIS)

Mach, R.; Nichitiu, F.

1975-01-01

In this paper it is presented an estimation of the πHe 3 H 3 coupling constant using the Chew-Low equation and a semi-phenomenological analysis of the π -+ He 3 elastic differential cross sections at 98, 120, 135 and 156 MeV

Magnetic self-assembly for the synthesis of magnetically exchange coupled MnBi/Fe–Co composites

Energy Technology Data Exchange (ETDEWEB)

Xu, Xia [Department of Chemical and Biological Engineering and MINT Center, The University of Alabama, Tuscaloosa, AL 35487 (United States); Hong, Yang-Ki, E-mail: ykhong@eng.ua.edu [Department of Electrical and Computer Engineering and MINT Center, The University of Alabama, Tuscaloosa, AL 35487 (United States); Park, Jihoon; Lee, Woncheol [Department of Electrical and Computer Engineering and MINT Center, The University of Alabama, Tuscaloosa, AL 35487 (United States); Lane, Alan M. [Department of Chemical and Biological Engineering and MINT Center, The University of Alabama, Tuscaloosa, AL 35487 (United States); Cui, Jun [Energy and Environment Directorate, Pacific Northwestern National Laboratory, Richland, WA 99354 (United States)

2015-11-15

Exchange coupled hard/soft MnBi/Fe–Co core/shell structured composites were synthesized using a magnetic self-assembly process. MnBi particles were prepared by arc-melting, and Fe–Co nanoparticles were synthesized by an oleic acid assisted chemical reduction method. Grinding a mixture of micron-sized MnBi and Fe–Co nanoparticles in hexane resulted in MnBi/Fe–Co core/shell structured composites. The MnBi/Fe–Co (95/5 wt%) composites showed smooth magnetic hysteresis loops, enhanced remanent magnetization, and positive values in the ΔM curve, indicating exchange coupling between MnBi and Fe–Co particles. - Graphical abstract: Both MnBi and Fe–Co particles were dispersed in hexane for grinding. Because of the oleic acid used during the Fe–Co nanoparticle synthesis, they could be well dispersed in hexane. During the grinding, the size of MnBi particles was decreased, hexane was evaporated, and the Fe–Co nanoparticles were concentrated in the solvent and magnetically attracted by MnBi particles, forming a core/shell structure. - Highlights: • Exchange coupled MnBi/Fe–Co composites are synthesized through magnetic selfassembly. • Magnetic exchange coupling is demonstrated by smooth magnetic hysteresis loops, enhanced remanent magnetization, and dominant positive peak in the ΔM curve. • The experimental results in magnetic properties are close to the theoretical calculation results.

On the usefulness of the 't Hooft and Adler transformations of the running coupling constant in perturbative quantum chromodynamics

International Nuclear Information System (INIS)

Hagiwara, K.

1982-01-01

It is argued that the 't Hooft transformation of the running coupling constant, in which the two-loop renormalization group (RG) function becomes exact, will be useful in the framework of perturbative quantum chromodynamics at least to three-loop order. On the other hand, the coupling constant expansion obtained by the Adler transformation, in which the RG equation takes its one-loop form, may suffer from large corrections in a finite order. (orig.)

Schwarzian derivative treatment of the quantum second-order supersymmetry anomaly, and coupling-constant metamorphosis

Energy Technology Data Exchange (ETDEWEB)

Plyushchay, Mikhail S., E-mail: mikhail.plyushchay@usach.cl

2017-02-15

A canonical quantization scheme applied to a classical supersymmetric system with quadratic in momentum supercharges gives rise to a quantum anomaly problem described by a specific term to be quadratic in Planck constant. We reveal a close relationship between the anomaly and the Schwarzian derivative, and specify a quantization prescription which generates the anomaly-free supersymmetric quantum system with second order supercharges. We also discuss the phenomenon of a coupling-constant metamorphosis that associates quantum systems with the first-order supersymmetry to the systems with the second-order supercharges.

Schwarzian derivative treatment of the quantum second-order supersymmetry anomaly, and coupling-constant metamorphosis

International Nuclear Information System (INIS)

Plyushchay, Mikhail S.

2017-01-01

A canonical quantization scheme applied to a classical supersymmetric system with quadratic in momentum supercharges gives rise to a quantum anomaly problem described by a specific term to be quadratic in Planck constant. We reveal a close relationship between the anomaly and the Schwarzian derivative, and specify a quantization prescription which generates the anomaly-free supersymmetric quantum system with second order supercharges. We also discuss the phenomenon of a coupling-constant metamorphosis that associates quantum systems with the first-order supersymmetry to the systems with the second-order supercharges.

FORC-study of magnetization reversal of L10-FePt based exchange coupled composite films

Directory of Open Access Journals (Sweden)

Gongyuan Situ

2017-05-01

Full Text Available Perpendicular exchange coupled composite structures were prepared, utilizing L10-FePt as hard layer and [Co/Ni]N multilayer as soft layer. Magnetic characteristics revealed the gradually change of the magnetization reversal mechanism from incoherent rotational mode to dominant wall motion as the thickness of soft layer increases. Furthermore, FORC analysis were employed to characterize the interactions of our ECC magnetic system, the result indicates that the exchange coupling interaction were enhanced with the increasing thickness of soft layer.

Non-perturbative computation of the strong coupling constant on the lattice

International Nuclear Information System (INIS)

Sommer, Rainer; Humboldt-Universitaet, Berlin; Wolff, Ulli

2015-01-01

We review the long term project of the ALPHA collaboration to compute in QCD the running coupling constant and quark masses at high energy scales in terms of low energy hadronic quantities. The adapted techniques required to numerically carry out the required multiscale non-perturbative calculation with our special emphasis on the control of systematic errors are summarized. The complete results in the two dynamical flavor approximation are reviewed and an outlook is given on the ongoing three flavor extension of the programme with improved target precision.

Perturbation theory and coupling constant analyticity in two-dimensional field theories

International Nuclear Information System (INIS)

Simon, B.

1973-01-01

Conjectural material and results over a year old are presented in the discussion of perturbation theory and coupling constant analyticity in two-dimensional field theories. General properties of perturbation series are discussed rather than questions of field theory. The question is interesting for two reasons: First, one would like to understand why perturbation theory is such a good guide (to show that perturbation theory determines the theory in some way). Secondly, one hopes to prove that some or all of the theories are nontrivial. (U.S.)

Charge exchange in collisions of beryllium with its ion.

Science.gov (United States)

Zhang, Peng; Dalgarno, Alexander; Côté, Robin; Bodo, Enrico

2011-11-14

Close-coupling calculations of the resonance and near resonance charge exchange in ion-atom collisions of Be at low and intermediate energies are presented. Accurate ab initio calculations are carried out of the Born-Oppenheimer potentials and the non-adiabatic couplings that are due to the finite nuclear masses and drive the near resonance charge exchange. We show that the near resonance charge exchange cross section follows Wigner's threshold law of inelastic processes for energies below 10(-8) eV and that the zero temperature rate constant for it is 4.5 × 10(-10) cm(3) s(-1). At collision energies much larger than the isotope shift of the ionization potentials of the atoms, we show that the near resonance charge exchange process is equivalent to the resonance charge exchange with cross sections having a logarithmic dependence. We also investigate the perturbation to the charge exchange process due to the non-adiabatic interaction to an electronic excited state. We show that the influence is negligible at low temperatures and still small at intermediate energies despite the presence of resonances.

Theoretical study of ferromagnetic resonance in exchange - coupled magnetic / nonmagnetic / magnetic multilayer structure

International Nuclear Information System (INIS)

Oezdogan, K.; Oezdemir, M.; Yalcin, O.; Aktas, B.

2002-01-01

The dispersion relation on ferromagnetic films was calculation by using torque equation of motion with a damping term. The total energy including zeeman, demagnetizing and anisotropy energy terms was used to get ferromagnetic resonance frequency for both uniform and higher order spin wave modes. In antiferromagnetic films, the torque equation of motion for each sub-lattice were written to derive an expression for the dispersion relation. The magnetic trilayer system under investigation consist of two ferromagnetic layers separated by a nonmagnetic layer. The dispersion relation of magnetic/nonmagnetic/magnetic three layers is calculated by using Landau-Lifshitz dynamic equation of motion for the magnetization with interlayer exchange energy. As for the exchange-coupled resonance of ferromagnetic resonance (FMR), the theoretical study has been calculated for both symmetrical and asymmetrical structures. In this systems, the exchange-coupling parameter A 12 between neighboring layers was used to get resonance fields as a function of the angle between the magnetization vectors of each magnetic layers

First-order-reversal-curve analysis of exchange-coupled SmCo/NdFeB nanocomposite alloys

Energy Technology Data Exchange (ETDEWEB)

Pan, Mingxiang; Zhang, Pengyue, E-mail: Zhang_pengyue@cjlu.edu.cn; Ge, Hongliang; Yu, Nengjun; Wu, Qiong

2014-06-01

Exchange-coupled SmCo{sub 5}/Nd{sub 2}Fe{sub 14}B nanocomposite magnets have been fabricated by ball milling of the micrometer sized SmCo{sub 5} and Nd{sub 2}Fe{sub 14}B powders. The influence of Nd{sub 2}Fe{sub 14}B content on the microstructure and magnetic properties of these hybrid alloys was investigated. The alloys that show strong intergrain exchange-coupling behavior with (BH){sub max}=2.95 MGOe was obtained when the two hard phases are well coupled. A first-order-reversal-curve (FORC) analysis was performed for both SmCo{sub 5} single-phase magnet and SmCo{sub 5}/Nd{sub 2}Fe{sub 14}B hybrid magnet; the FORC diagrams results show two major peaks for the hybrid magnets. In both cases, the magnetization reversal behaviors for these alloys were discussed in detail and are consistent with the results of δM plots. - Highlights: • Exchange-coupled SmCo{sub 5}/Nd{sub 2}Fe{sub 14}B nanocomposite magnets were studied. • Magnetization reversal behaviors of the hybrid magnet were discussed. • The FORCs analysis is taken to identify the optimal conditions for hybrid magnet.

Micromagnetic finite element study for magnetic properties of nanocomposite exchange coupled Nd{sub 2}Fe{sub 14}B/α-Fe multilayer systems

Energy Technology Data Exchange (ETDEWEB)

Ryo, Hyok-Su [School of Material Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Faculty of Physics, Kim Il Sung University, Pyongyang 999093, Democratic People’s Republic of Korea (Korea, Republic of); Hu, Lian-Xi [School of Material Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Kim, Jin-Guk [School of Material Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Faculty of Physics, Kim Il Sung University, Pyongyang 999093, Democratic People’s Republic of Korea (Korea, Republic of); Yang, Yu-Lin [School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001 (China)

2017-03-15

In this study, magnetic properties of exchange coupled nanocomposite multilayer thin films constructed alternately with magnetic hard Nd{sub 2}Fe{sub 14}B layers and soft α-Fe layers have been studied by micromagnetic finite element method (FEM). According to the results, effects of the thicknesses of layers and the magneto-crystalline anisotropy on the magnetic properties of the Nd{sub 2}Fe{sub 14}B/α-Fe multilayer systems have been estimated. On the other hand, the results have been analyzed by means of efficiency of interphase exchange coupling, which can be estimated by volume ratios of exchange coupled areas between magnetically hard Nd{sub 2}Fe{sub 14}B and soft α-Fe phase layers. The results show that the magnetic properties of exchange coupled Nd{sub 2}Fe{sub 14}B/α-Fe multilayer systems can be enhanced by efficient interphase exchange coupling between magnetically hard Nd{sub 2}Fe{sub 14}B layers and soft α-Fe layers. - Highlights: • Phase layer thicknesses dependence of magnetic properties of Nd{sub 2}Fe{sub 14}B/α-Fe multilayers. • Analyzation of the effectiveness of exchange coupling between the Nd{sub 2}Fe{sub 14}B and α-Fe layers. • Dependence of the magnetic properties on direction of external field of exchange coupled Nd{sub 2}Fe{sub 14}B/α-Fe multilayers. • Dependence of the magnetic properties on magneto-crystalline anisotropy of exchange coupled Nd{sub 2}Fe{sub 14}B/α-Fe multilayers.

Modified quark-meson coupling model for nuclear matter

International Nuclear Information System (INIS)

Jin, X.; Jennings, B.K.

1996-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-12-29

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

Exchangers man the pumps: Functional interplay between proton pumps and proton-coupled Ca2+ exchangers

OpenAIRE

Barkla, Bronwyn J; Hirschi, Kendal D; Pittman, Jon K

2008-01-01

Tonoplast-localised proton-coupled Ca2+ transporters encoded by cation/H+ exchanger (CAX) genes play a critical role in sequestering Ca2+ into the vacuole. These transporters may function in coordination with Ca2+ release channels, to shape stimulus-induced cytosolic Ca2+ elevations. Recent analysis of Arabidopsis CAX knockout mutants, particularly cax1 and cax3, identified a variety of phenotypes including sensitivity to abiotic stresses, which indicated that these transporters might play a ...

SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

DEFF Research Database (Denmark)

Faber, Rasmus; Sauer, Stephan P. A.

2015-01-01

We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation ...

Spin-wave resonance frequency in ferromagnetic thin film with interlayer exchange coupling and surface anisotropy

Science.gov (United States)

Zhang, Shuhui; Rong, Jianhong; Wang, Huan; Wang, Dong; Zhang, Lei

2018-01-01

We have investigated the dependence of spin-wave resonance(SWR) frequency on the surface anisotropy, the interlayer exchange coupling, the ferromagnetic layer thickness, the mode number and the external magnetic field in a ferromagnetic superlattice film by means of the linear spin-wave approximation and Green's function technique. The SWR frequency of the ferromagnetic thin film is shifted to higher values corresponding to those of above factors, respectively. It is found that the linear behavior of SWR frequency curves of all modes in the system is observed as the external magnetic field is increasing, however, SWR frequency curves are nonlinear with the lower and the higher modes for different surface anisotropy and interlayer exchange coupling in the system. In addition, the SWR frequency of the lowest (highest) mode is shifted to higher (lower) values when the film thickness is thinner. The interlayer exchange coupling is more important for the energetically higher modes than for the energetically lower modes. The surface anisotropy has a little effect on the SWR frequency of the highest mode, when the surface anisotropy field is further increased.

The exchange interaction effects on magnetic properties of the nanostructured CoPt particles

Energy Technology Data Exchange (ETDEWEB)

Komogortsev, S.V., E-mail: komogor@iph.krasn.ru [Kirensky Institute of Physics, SB RAS, 660036 Krasnoyarsk (Russian Federation); Iskhakov, R.S. [Kirensky Institute of Physics, SB RAS, 660036 Krasnoyarsk (Russian Federation); Zimin, A.A. [Siberian Federal University, 660041 Krasnoyarsk (Russian Federation); Filatov, E.Yu.; Korenev, S.V.; Shubin, Yu.V. [Nikolaev Institute of Inorganic Chemistry, SB RAS, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 630090 Novosibirsk (Russian Federation); Chizhik, N.A. [Siberian Federal University, 660041 Krasnoyarsk (Russian Federation); Yurkin, G.Yu.; Eremin, E.V. [Kirensky Institute of Physics, SB RAS, 660036 Krasnoyarsk (Russian Federation)

2016-03-01

Various manifestations of the exchange interaction effects in magnetization curves of the CoPt nanostructured particles are demonstrated and discussed. The inter-grain exchange constant A in the sponge-like agglomerates of crystallites is estimated as A=(7±1) pJ/m from the approach magnetization to saturation curves that is in good agreement with A=(6.6±0.5) pJ/m obtained from Bloch T {sup 3/2} law. The fractal dimensionality of the exchange coupled crystallite system in the porous media of the disordered CoPt alloy d=(2.60±0.18) was estimated from the approach magnetization to saturation curve. Coercive force decreases with temperature as H{sub c}~T {sup 3/2} which is assumed to be a consequence of the magnetic anisotropy energy reduction due to the thermal spin wave excitations in the investigated CoPt particles. - Highlights: • Nanostructured CoPt particles were synthesized and then annealed in He atmosphere. • The structure of the material and magnetization curves were studied. • The maximum on reduced coercivity vs grain size dependence was observed. • The dimensionality d of exchange coupled crystallite system was estimated. • Exchange stiffness constant A was estimated.

Properties of Exchange Coupled All-garnet Magneto-Optic Thin Film Multilayer Structures

Science.gov (United States)

Nur-E-Alam, Mohammad; Vasiliev, Mikhail; Kotov, Viacheslav A.; Balabanov, Dmitry; Akimov, Ilya; Alameh, Kamal

2015-01-01

The effects of exchange coupling on magnetic switching properties of all-garnet multilayer thin film structures are investigated. All-garnet structures are fabricated by sandwiching a magneto-soft material of composition type Bi1.8Lu1.2Fe3.6Al1.4O12 or Bi3Fe5O12:Dy2O3 in between two magneto-hard garnet material layers of composition type Bi2Dy1Fe4Ga1O12 or Bi2Dy1Fe4Ga1O12:Bi2O3. The fabricated RF magnetron sputtered exchange-coupled all-garnet multilayers demonstrate a very attractive combination of magnetic properties, and are of interest for emerging applications in optical sensors and isolators, ultrafast nanophotonics and magneto-plasmonics. An unconventional type of magnetic hysteresis behavior not observed previously in magnetic garnet thin films is reported and discussed. PMID:28788043

Properties of Exchange Coupled All-garnet Magneto-Optic Thin Film Multilayer Structures

Directory of Open Access Journals (Sweden)

Mohammad Nur-E-Alam

2015-04-01

Full Text Available The effects of exchange coupling on magnetic switching properties of all-garnet multilayer thin film structures are investigated. All-garnet structures are fabricated by sandwiching a magneto-soft material of composition type Bi1.8Lu1.2Fe3.6Al1.4O12 or Bi3Fe5O12:Dy2O3 in between two magneto-hard garnet material layers of composition type Bi2Dy1Fe4Ga1O12 or Bi2Dy1Fe4Ga1O12:Bi2O3. The fabricated RF magnetron sputtered exchange-coupled all-garnet multilayers demonstrate a very attractive combination of magnetic properties, and are of interest for emerging applications in optical sensors and isolators, ultrafast nanophotonics and magneto-plasmonics. An unconventional type of magnetic hysteresis behavior not observed previously in magnetic garnet thin films is reported and discussed.

Chemically induced dynamic nuclear polarization in systems containing large hyperfine coupling constants

International Nuclear Information System (INIS)

Roth, H.D.; Hutton, R.S.; Hwang, Kuochu; Turro, N.J.; Welsh, K.M.

1989-01-01

Nuclear spin polarization effects induced in radical pairs with one or more strong ( 13 C) hyperfine coupling constants have been evaluated. The pairs were generated by photoinduced α-cleavage or hydrogen abstraction reactions of carbonyl compounds. Several examples illustrate how changes in the magnetic field strength (H 0 ) and the g-factor difference (Δg) affect the general appearance of the resulting CIDNP multiplets. The results bear out an earlier caveat concerning the qualitative interpretation of CIDNP effects observed for multiplets

Radiative muon capture and induced pseudoscalar coupling constant in nuclear matter

International Nuclear Information System (INIS)

Cheoun, Myung Ki; Kim, K S; Choi, T K

2003-01-01

Radiative muon capture is studied to investigate the induced pseudoscalar coupling constant g P in nuclear matter. According to the recent TRIUMF experiment for μ - p → nν μ γ, the g P was surprisingly larger than the value obtained from μ - p → nν μ experiment by as much as 44%. The result may affect seriously theoretical interpretations of the experimental results for the radiative muon captures in finite nuclei. In view of the recent TRIUMF result, the radiative muon capture in nuclear matter is revisited in a framework of the relativistic mean field theory

Magnetic properties of soft layer/FePt-MgO exchange coupled composite Perpendicular recording media

Institute of Scientific and Technical Information of China (English)

Yin Jin-Hua; Takao Suzuki; Pan Li-Qing

2008-01-01

The magnetic properties of exchange coupled composite(ECC)media that are composed of perpendicular magnetic recording media FePt-MgO and two kinds of soft layers have been studied by using an x-ray diffractometer,a polar Kerr magneto-optical system(PMOKE)and a vibrating sample magnetometer(VSM).The results show that ECC media can reduce the coercivities of perpendicular magnetic recording media FePt-MgO.The ECC media with granular-type soft layers have weaker exchange couplings between magnetic grains and the magnetization process,for ECC media of this kind mainly follow the Stoner-Wohlfarth model.

Magnetization reversal and domain correlation for a non-collinear and out-of-plane exchange-coupled system

International Nuclear Information System (INIS)

Paul, Amitesh; Paul, N; Mattauch, Stefan

2011-01-01

We have investigated the impact of out-of-plane ferromagnetic (FM) anisotropy (which can be coincident with the direction of unidirectional anisotropy), where antiferromagnetic (AF) anisotropy is along the film plane. This provides a platform for non-collinear exchange coupling in an archetypal exchange coupled system in an unconventional way. We probe the in-plane magnetization by the depth-sensitive vector magnetometry technique. The experimental findings reveal a magnetization reversal (i) that is symmetric for both the branches of the hysteresis loop, (ii) that is characterized by vertically correlated domains associated with a strong transverse component of magnetization and (iii) that remains untrained (suppression of trained state) with field cycling. This scenario has been compared with in-plane magnetization reversal for a conventional in-plane unidirectional anisotropic case in the same system that shows usual asymmetric reversal and training for vertically uncorrelated domains. We explain the above observations for the out-of-plane case in terms of inhomogeneous magnetic states due to competing perpendicular anisotropies that result in non-collinear FM-AF coupling. This study provides direct evidence for the vertical correlation of domains mediated by out-of-plane exchange coupling.

The GMO sumrule and the πNN coupling constant

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Thomas, A.W.

2000-01-01

The isovector GMO sumrule for forward πN scattering is critically evaluated using the precise π - p and π - d scattering lengths obtained recently from pionic atom measurements. The charged πNN coupling constant is then deduced with careful analysis of systematic and statistical sources of uncertainties. This determination gives directly from data g c 2 (GMO)/4π = 14.17±0.09 (statistic) ±0.17 (systematic) or f c 2 / 4π=0.078(11). This value is half-way between that of indirect methods (phase-shift analyses) and the direct evaluation from from backward np differential scattering cross sections (extrapolation to pion pole). From the π - p and π - d scattering lengths our analysis leads also to accurate values for (1/2)(a π - p +a π - n ) and (1/2) (a π - p -a π - n ). (orig.)

The GMO Sumrule and the πNN Coupling Constant

Science.gov (United States)

Ericson, T. E. O.; Loiseau, B.; Thomas, A. W.

The isovector GMO sumrule for forward πN scattering is critically evaluated using the precise π-p and π-d scattering lengths obtained recently from pionic atom measurements. The charged πNN coupling constant is then deduced with careful analysis of systematic and statistical sources of uncertainties. This determination gives directly from data gc2(GMO)/4π = 14.17±0.09 (statistic) ±0.17 (systematic) or fc2/ 4π=0.078(11). This value is half-way between that of indirect methods (phase-shift analyses) and the direct evaluation from from backward np differential scattering cross sections (extrapolation to pion pole). From the π-p and π-d scattering lengths our analysis leads also to accurate values for (1/2)(aπ-p+aπ-n) and (1/2) (aπ-p-aπ-n).

Inelastic Neutron Scattering and Magnetisation Investigation of an Exchange-Coupled Dy2 SMM

Science.gov (United States)

Baker, Michael L.; Zhang, Qing; Sarachik, Myriam P.; Kent, Andrew D.; Chen, Yizhang; Butch, Nicholas; Pineda, Eufemio M.; McInnes, Eric

The strong spin orbit coupling and weak crystal field energies of simple exchange-coupled rare earth SMMs makes the precise evaluation of their magnetic properties nontrivial. Here we report a detailed investigation of the single molecule magnet hqH2Dy2(hq)4(NO3)3MeOH. Inelastic neutron scattering is used to obtain direct access to several low energy crystal field excitations. The INS results display several features that are not found in earlier FIR absorption experiments, while other features found in the latter are absent. Based on the effective point charge model, numerical calculations are currently underway to resolve these apparent discrepancies using complementary magnetisation measurements to resolve the exchange between Dy ions. Work supported by ARO W911NF-13-1-1025 (CCNY) and NSF-DMR-1309202 (NYU).

Measurement of the strong coupling constant αs with hadronic jets in deep inelastic scattering

International Nuclear Information System (INIS)

Gouzevitch, Maxime

2008-12-01

In this analysis we have used the production of hard jets in neutral-current DIS for the extraction of the strong coupling constant α s . The jets have been selected in the NC DIS events at large momentum transvers 150 2 2 within the limits of the detector acceptance -0.8 Lab T B >5. Three jet observables normalized to the total NC DIS cross section have been used: Inclusive jet multiplicity as well as the production rates of 2-jet and 3-jet events. The prediction of the renormalization-group equation for the evolution of the strong coupling constant has been successfully tested for two orders of magnitude between Q=2 QeV to Q=122 GeV. The better precision on α s (m Z ) has been obtained with the combination ob the three observables at Q 2 >150 GeV 2 : α s (m Z )=0.1180±0.0007(exp.) -0.0034 +0.0050 (th.)±0.0017 (pdf.).

Optimization of spring exchange coupled ferrites, studied by in situ neutron diffraction

DEFF Research Database (Denmark)

Ahlburg, Jakob; Christensen, Mogens; Granados-Miralles, Cecilia

have a spin it will also be possible to measure a magnetic signal and investigate the exchange-coupling. After the reduction the samples was furthermore investigated using powder x-ray diffraction and VSM (vibrating sample magnetometer). To understand the reaction mechanism, a series of experiments...

Vortex dynamics mediated by exchange coupling in permalloy double disks

International Nuclear Information System (INIS)

Liu Yan; Hu Yong; Du An

2012-01-01

The dynamics of magnetic vortices in double disks coupled with a bridge are studied by micromagnetic simulations. There are three types of magnetic configurations being found, which depend on the size of the bridge and the chiralities of the vortices. The exchange coupling between the vortices, which is mediated by the magnetizations in the bridge, influences the trajectories and oscillation frequencies of the vortices. Moreover, the frequency depends on the configurations of the double disks and the bridge size. - Highlights: ► Dynamics of vortices in double Permalloy disks coupled with a bridge are studied. ► Three types of equilibrium configurations are observed for the model. ► Oscillation of the cores depends on the magnetic configuration of the double disks. ► Variation of oscillating frequency with bridge length depends on polarity combination. ► Oscillating frequency decreases with the increasing of the bridge width.

Intergrain exchange interaction estimation from the remanence magnetization analysis

International Nuclear Information System (INIS)

Bolyachkin, Anton S.; Volegov, Aleksey S.; Kudrevatykh, Nikolay V.

2015-01-01

Analysis of δm(H)=[M d (H)−M r (∞)+2M r (H)]/M r (∞) curves constructed from dc demagnetization and isothermal remanent magnetization (M d (H) and M r (H) respectively) is important for characterization of the interactions in ferromagnets. Up to now, it has been mainly used for qualitative deductions about them. In this work, the novel functional relation between the maximum of the δm(H) plot and the microscopic parameters of the weakly coupled Stoner–Wohlfarth ensemble with the isotropic distribution of easy magnetization axes was established using computer modeling. It allows quantitative analysis in the frame of the model to be performed. Finally, a new method of estimating the intergrain exchange interaction constant for nanostructured high anisotropy magnets could be formulated taking into account the results of the modeling. - Highlights: • Computer modelling of the weakly coupled Stoner–Wohlfarth like ensemble was performed. • The novel functional relation for maxima of the Kelly plots is established. • Method of the estimation of intergrain exchange interaction constant is formulated

Exchange coupling in metallic multilayers with a top FeRh layer

Energy Technology Data Exchange (ETDEWEB)

Yamada, S., E-mail: yamada@ee.es.osaka-u.ac.jp; Kanashima, T.; Hamaya, K., E-mail: hamaya@ee.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Tanikawa, K. [Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Hirayama, J. [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Taniyama, T. [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

2016-05-15

We study magnetic properties of metallic multilayers with FeRh/ferromagnet interfaces grown by low-temperature molecular beam epitaxy. Room-temperature coercivity of the ferromagnetic layers is significantly enhanced after the growth of FeRh, proving the existence of the exchange coupling between the antiferromagnetic FeRh layer and the ferromagnetic layer. However, exchange bias is not clearly observed probably due to the presence of disordered structures, which result from the lattice strain at the FeRh/ferromagnet interfaces due to the lattice mismatch. We infer that the lattice matched interface between FeRh and ferromagnetic layers is a key parameter for controlling magnetic switching fields in such multilayer systems.

Top and Higgs mass predictions in supersymmetric SU(5) model with big top quark Yukawa coupling constant

International Nuclear Information System (INIS)

Krasnikov, N.V.; Rodenberg, R.

1993-01-01

From the requirement of the absence of the Landau pole singularity for the effective top quark Yukawa coupling constant up to Planck scale in SU(5) supersymmetric model we find an upper bound m t ≤ 187 GeV for the top quark mass. For the SU(5) fixed point renormalization group solution for top quark Yukawa coupling constant which can be interpreted as the case of composite superhiggs we find that m t ≥ 140 GeV. Similar bound takes place in all models with big anti h t (m t ). For m t ≤ 160 GeV we find also that the Higgs boson is lighter than m Z and hence it can be discovered at LEP2

Ultrathin Limit of Exchange Bias Coupling at Oxide Multiferroic/Ferromagnetic Interfaces

NARCIS (Netherlands)

Huijben, Mark; Yu, P.; Martin, L.W.; Molegraaf, Hajo; Chu, Y.H.; Holcomb, M.B.; Balke, N.; Rijnders, Augustinus J.H.M.; Ramesh, R.

2013-01-01

Exchange bias coupling at the multiferroic- ferromagnetic interface in BiFeO3/La0.7Sr0.3MnO3 heterostructures exhibits a critical thickness for ultrathin BiFeO3 layers of 5 unit cells (2 nm). Linear dichroism measurements demonstrate the dependence on the BiFeO3 layer thickness with a strong

SQSQh: 1H-detected SQ-SQ Experiment for Determination of Signed Silicon-Carbon Coupling Constants

Czech Academy of Sciences Publication Activity Database

Blechta, Vratislav; Schraml, Jan

2010-01-01

Roč. 48, č. 6 (2010), s. 464-470 ISSN 0749-1581 R&D Projects: GA AV ČR IAA400720706 Institutional research plan: CEZ:AV0Z40720504 Keywords : nmr * sqsq sequence * sign of coupling constant Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.247, year: 2010

Explicitly-correlated ring-coupled-cluster-doubles theory: Including exchange for computations on closed-shell systems

Energy Technology Data Exchange (ETDEWEB)

Hehn, Anna-Sophia; Holzer, Christof; Klopper, Wim, E-mail: klopper@kit.edu

2016-11-10

Highlights: • Ring-coupled-cluster-doubles approach now implemented with exchange terms. • Ring-coupled-cluster-doubles approach now implemented with F12 functions. • Szabo–Ostlund scheme (SO2) implemented for use in SAPT. • Fast convergence to the limit of a complete basis. • Implementation in the TURBOMOLE program system. - Abstract: Random-phase-approximation (RPA) methods have proven to be powerful tools in electronic-structure theory, being non-empirical, computationally efficient and broadly applicable to a variety of molecular systems including small-gap systems, transition-metal compounds and dispersion-dominated complexes. Applications are however hindered due to the slow basis-set convergence of the electron-correlation energy with the one-electron basis. As a remedy, we present approximate explicitly-correlated RPA approaches based on the ring-coupled-cluster-doubles formulation including exchange contributions. Test calculations demonstrate that the basis-set convergence of correlation energies is drastically accelerated through the explicitly-correlated approach, reaching 99% of the basis-set limit with triple-zeta basis sets. When implemented in close analogy to early work by Szabo and Ostlund [36], the new explicitly-correlated ring-coupled-cluster-doubles approach including exchange has the perspective to become a valuable tool in the framework of symmetry-adapted perturbation theory (SAPT) for the computation of dispersion energies of molecular complexes of weakly interacting closed-shell systems.

The strong coupling constant of QCD with four flavors

Energy Technology Data Exchange (ETDEWEB)

Tekin, Fatih

2010-11-01

In this thesis we study the theory of strong interaction Quantum Chromodynamics on a space-time lattice (lattice QCD) with four flavors of dynamical fermions by numerical simulations. In the early days of lattice QCD, only pure gauge field simulations were accessible to the computational facilities and the effects of quark polarization were neglected. The so-called fermion determinant in the path integral was set to one (quenched approximation). The reason for this approximation was mainly the limitation of computational power because the inclusion of the fermion determinant required an enormous numerical effort. However, for full QCD simulations the virtual quark loops had to be taken into account and the development of new machines and new algorithmic techniques made the so-called dynamical simulations with at least two flavors possible. In recent years, different collaborations studied lattice QCD with dynamical fermions. In our project we study lattice QCD with four degenerated flavors of O(a) improved Wilson quarks in the Schroedinger functional scheme and calculate the energy dependence of the strong coupling constant. For this purpose, we determine the O(a) improvement coefficient c{sub sw} with four flavors and use this result to calculate the step scaling function of QCD with four flavors which describes the scale evolution of the running coupling. Using a recursive finite-size technique, the {lambda} parameter is determined in units of a technical scale L{sub max} which is an unambiguously defined length in the hadronic regime. The coupling {alpha}{sub SF} of QCD in the so-called Schroedinger functional scheme is calculated over a wide range of energies non-perturbatively and compared with 2-loop and 3-loop perturbation theory as well as with the non-perturbative result for only two flavors. (orig.)

The strong coupling constant of QCD with four flavors

International Nuclear Information System (INIS)

Tekin, Fatih

2010-01-01

In this thesis we study the theory of strong interaction Quantum Chromodynamics on a space-time lattice (lattice QCD) with four flavors of dynamical fermions by numerical simulations. In the early days of lattice QCD, only pure gauge field simulations were accessible to the computational facilities and the effects of quark polarization were neglected. The so-called fermion determinant in the path integral was set to one (quenched approximation). The reason for this approximation was mainly the limitation of computational power because the inclusion of the fermion determinant required an enormous numerical effort. However, for full QCD simulations the virtual quark loops had to be taken into account and the development of new machines and new algorithmic techniques made the so-called dynamical simulations with at least two flavors possible. In recent years, different collaborations studied lattice QCD with dynamical fermions. In our project we study lattice QCD with four degenerated flavors of O(a) improved Wilson quarks in the Schroedinger functional scheme and calculate the energy dependence of the strong coupling constant. For this purpose, we determine the O(a) improvement coefficient c sw with four flavors and use this result to calculate the step scaling function of QCD with four flavors which describes the scale evolution of the running coupling. Using a recursive finite-size technique, the Λ parameter is determined in units of a technical scale L max which is an unambiguously defined length in the hadronic regime. The coupling α SF of QCD in the so-called Schroedinger functional scheme is calculated over a wide range of energies non-perturbatively and compared with 2-loop and 3-loop perturbation theory as well as with the non-perturbative result for only two flavors. (orig.)

Exchange-coupled nanoscale SmCo/NdFeB hybrid magnets

Energy Technology Data Exchange (ETDEWEB)

Wang Dapeng; Poudyal, Narayan; Rong, Chuanbing [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States); Zhang Ying [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States); Materials Science and Engineering, Ames Laboratory, USDOE, Iowa State University, Ames, IA 50011 (United States); Kramer, M.J. [Materials Science and Engineering, Ames Laboratory, USDOE, Iowa State University, Ames, IA 50011 (United States); Liu, J. Ping, E-mail: pliu@uta.edu [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States)

2012-09-15

Nanoscale hybrid magnets containing SmCo{sub 5} and Nd{sub 2}Fe{sub 14}B hard magnetic phases have been produced via a novel 'in-one-pot' processing route. The grain size of the processed bulk composite materials is controlled below 20 nm. The refinement of the nanoscale morphology leads to effective inter-phase exchange coupling that results in single-phase like magnetic properties. Energy product of 14 MGOe was obtained in the isotropic nanocomposite magnets at room temperature. At elevated temperatures, the hybrid magnets have greatly improved thermal stability compared to the Nd{sub 2}Fe{sub 14}B single-phase counterpart and have substantially increased magnetization and energy products compared to the single-phase SmCo{sub 5} counterpart. - Highlights: Black-Right-Pointing-Pointer We realize interphase exchange coupling in nanoscale SmCo{sub 5}/Nd{sub 2}Fe{sub 14}B magnets. Black-Right-Pointing-Pointer We observe homogenously distributed two-phase grains with size smaller than 20 nm. Black-Right-Pointing-Pointer We observe a common Curie temperature in the hybrid magnet. Black-Right-Pointing-Pointer High-temperature magnetic properties of the hybrid magnets greatly improved. Black-Right-Pointing-Pointer Plastic deformation of composite materials leads to self-nanoscaling of grains.

Double Δ-exchange contribution to pp-bar annihilation into three pions

International Nuclear Information System (INIS)

Betz, M.; Veit, E.A.; Haidenbauer, J.; Mull, V.

1999-01-01

Proton-antiproton annihilation into three uncorrelated pions is studied in a model based on both nucleon and Δ exchanges, with initial-state interactions described by the most complete version of the Juelich N N-bar model. The present work focuses in particular on the contribution of double Δ exchange, which had not been considered in previous work. The coupling constant at the ΔΔ π vertex, necessary to generate the double Δ-exchange amplitude, is fixed by reference to the SU (2) x SU(2) quark model. The effects of double Δ exchange are found to be rather small, though not negligible fort the π + π - π 0 channel. (author)

Simultaneous determination of 13 carbohydrates using high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry.

Science.gov (United States)

Zhao, Dan; Feng, Feng; Yuan, Fei; Su, Jin; Cheng, Yan; Wu, Hanqiu; Song, Kun; Nie, Bo; Yu, Lian; Zhang, Feng

2017-04-01

A simple, accurate, and highly sensitive method was developed for the determination of 13 carbohydrates in polysaccharide of Spirulina platensis based on high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry. Samples were extracted with deionized water using ultrasonic-assisted extraction, and the ultrasound-assisted extraction conditions were optimized by Box-Behnken design. Then the extracted polysaccharide was hydrolyzed by adding 1 mol/L trifluoroacetic acid before determination by high-performance anion-exchange chromatography coupled with pulsed amperometric detection and confirmed by high-performance anion-exchange chromatography coupled with mass spectrometry. The high-performance anion-exchange chromatography coupled with pulsed amperometric detection method was performed on a CarboPac PA20 column by gradient elution using deionized water, 0.1 mol/L sodium hydroxide solution, and 0.4 mol/L sodium acetate solution. Excellent linearity was observed in the range of 0.05-10 mg/L. The average recoveries ranged from 80.7 to 121.7%. The limits of detection and limits of quantification for 13 carbohydrates were 0.02-0.10 and 0.2-1.2  μg/kg, respectively. The developed method has been successfully applied to ambient samples, and the results indicated that high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry could provide a rapid and accurate method for the simultaneous determination of carbohydrates. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The inductively coupled plasma as a source for the measurement of fundamental spectroscopic constants

International Nuclear Information System (INIS)

Farnsworth, P.B.

1993-01-01

Inductively coupled plasmas (ICPs) are stable, robust sources for the generation of spectra from neutral and singly ionized atoms. They are used extensively for analytical spectrometry, but have seen limited use for the measurement of fundamental spectroscopic constants. Several properties of the ICP affect its suitability for such fundamental measurements. They include: spatial structure, spectral background, noise characteristics, electron densities and temperatures, and the state of equilibrium in the plasma. These properties are particularly sensitive to the means by which foreign atoms are introduced into the plasma. With some departures from the operating procedures normally used in analytical measurements, the ICP promise to be a useful source for the measurement of fundamental atomic constants. (orig.)

Exchange current contributions to isoscalar magnetic moments

International Nuclear Information System (INIS)

Arima, A.; Bentz, W.; Ichii, S.

1986-01-01

In this work the authors have investigated two recent suggestions which indicated appreciable exchange current contributions to isoscalar magnetic moments. On account of gauge invariance the authors found that in both treatments certain important terms seem to be omitted. The authors then performed explicit calculations using a one-boson exchange model for the exchange current operator. The authors found that the results are sensitive to the ratio of coupling constants g/sub σNN///g/sub ωNN/. Due to this fact it is difficult to draw quantitative conclusions. In the present model calculation the authors found that both g/sub s/(0) and g/sub 1//sup 0/ are enhanced by about 3% to 4%, resulting in non-negligible corrections to isoscalar magnetic moments

Circuit QED with qutrits: Coupling three or more atoms via virtual-photon exchange

Science.gov (United States)

Zhao, Peng; Tan, Xinsheng; Yu, Haifeng; Zhu, Shi-Liang; Yu, Yang

2017-10-01

We present a model to describe a generic circuit QED system which consists of multiple artificial three-level atoms, namely, qutrits, strongly coupled to a cavity mode. When the state transition of the atoms disobeys the selection rules the process that does not conserve the number of excitations can happen determinatively. Therefore, we can realize coherent exchange interaction among three or more atoms mediated by the exchange of virtual photons. In addition, we generalize the one-cavity-mode mediated interactions to the multicavity situation, providing a method to entangle atoms located in different cavities. Using experimentally feasible parameters, we investigate the dynamics of the model including three cyclic-transition three-level atoms, for which the two lowest energy levels can be treated as qubits. Hence, we have found that two qubits can jointly exchange excitation with one qubit in a coherent and reversible way. In the whole process, the population in the third level of atoms is negligible and the cavity photon number is far smaller than 1. Our model provides a feasible scheme to couple multiple distant atoms together, which may find applications in quantum information processing.

On Geometric Probability, Holography, Shilov Boundaries and the Four Physical Coupling Constants of Nature

Directory of Open Access Journals (Sweden)

Castro C.

2005-07-01

Full Text Available By recurring to Geometric Probability methods, it is shown that the coupling constants, αEM; αW; αC associated with Electromagnetism, Weak and the Strong (color force are given by the ratios of the ratios of the measures of the Shilov boundaries Q2=S1×RP1; Q3=S2×RP1; S5, respectively, with respect to the ratios of the measures μ[Q5]/μN[Q5] associated with the 5D conformally compactified real Minkowski spacetime ˉ M5 that has the same topology as the Shilov boundary Q5 of the 5 complex-dimensional poly-disc D5. The homogeneous symmetric complex domain D5=SO(5,2/SO(5×SO(2 corresponds to the conformal relativistic curved 10 real-dimensional phase space H10 associated with a particle moving in the 5D Anti de Sitter space AdS5. The geometric coupling constant associated to the gravitational force can also be obtained from the ratios of the measures involving Shilov boundaries. We also review our derivation of the observed vacuum energy density based on the geometry of de Sitter (Anti de Sitter spaces.

Coupling constant metamorphosis as an integrability-preserving transformation for general finite-dimensional dynamical systems and ODEs

Energy Technology Data Exchange (ETDEWEB)

Sergyeyev, Artur, E-mail: Artur.Sergyeyev@math.slu.cz [Mathematical Institute, Silesian University in Opava, Na Rybníčku 1, 746 01 Opava (Czech Republic)

2012-06-04

In the present Letter we extend the multiparameter coupling constant metamorphosis, also known as the generalized Stäckel transform, from Hamiltonian dynamical systems to general finite-dimensional dynamical systems and ODEs. This transform interchanges the values of integrals of motion with the parameters these integrals depend on but leaves the phase space coordinates intact. Sufficient conditions under which the transformation in question preserves integrability and a simple formula relating the solutions of the original system to those of the transformed one are given. -- Highlights: ► We consider the multiparameter coupling constant metamorphosis (MCCM). ► The latter is also known as the generalized Stäckel transform. ► This transform is extended to general (non-Hamiltonian) finite-dimensional dynamical systems. ► The extended transform preserves integrability just as the original MCCM. ► A simple formula for transforming solutions under MCCM is given.

Coupling constant metamorphosis as an integrability-preserving transformation for general finite-dimensional dynamical systems and ODEs

International Nuclear Information System (INIS)

Sergyeyev, Artur

2012-01-01

In the present Letter we extend the multiparameter coupling constant metamorphosis, also known as the generalized Stäckel transform, from Hamiltonian dynamical systems to general finite-dimensional dynamical systems and ODEs. This transform interchanges the values of integrals of motion with the parameters these integrals depend on but leaves the phase space coordinates intact. Sufficient conditions under which the transformation in question preserves integrability and a simple formula relating the solutions of the original system to those of the transformed one are given. -- Highlights: ► We consider the multiparameter coupling constant metamorphosis (MCCM). ► The latter is also known as the generalized Stäckel transform. ► This transform is extended to general (non-Hamiltonian) finite-dimensional dynamical systems. ► The extended transform preserves integrability just as the original MCCM. ► A simple formula for transforming solutions under MCCM is given.

Low energy constituent quark and pion effective couplings in a weak external magnetic field

Science.gov (United States)

Braghin, Fábio L.

2018-03-01

An effective model with pions and constituent quarks in the presence of a weak external background electromagnetic field is derived by starting from a dressed one gluon exchange quark-quark interaction. By applying the auxiliary field and background field methods, the structureless pion limit is considered to extract effective pion and constituent quark couplings in the presence of a weak magnetic field. The leading terms of a large quark and gluon masses expansion are obtained by resolving effective coupling constants which turn out to depend on a weak magnetic field. Two pion field definitions are considered for that. Several relations between the effective coupling constants and parameters can be derived exactly or in the limit of very large quark mass at zero and weak constant magnetic field. Among these ratios, the Gell-Mann-Oakes-Renner and the quark level Goldberger-Treiman relations are obtained. In addition to that, in the pion sector, the leading terms of Chiral Perturbation Theory coupled to the electromagnetic field are recovered. Some numerical estimates are provided for the effective coupling constants and parameters.

Parametric investigation of a non-constant cross sectional area air to air heat exchanger

International Nuclear Information System (INIS)

Cárdenas, Bruno; Garvey, Seamus; Kantharaj, Bharath; Simpson, Michael

2017-01-01

Highlights: • Evaluation of complex geometry aimed at minimizing volume per unit of exergy transfer. • The use of a non-constant cross-section for the heat exchanger is proposed. • The performance gains attainable via modern manufacturing techniques are discussed. • The trade-off between overall exergy efficiency and cost is thoroughly analysed. • A quadratic proportion between volume and characteristic dimension has been found. - Abstract: The present article addresses the design, mathematical modelling and analysis of a novel highly exergy-efficient air to air heat exchanger. An intricate design based on an hexagonal mesh is proposed for the cross-sectional area of the heat exchanger with aims to explore the performance gains that can be obtained by exploiting the capabilities and benefits offered by modern fabrication techniques such as additive manufacturing. Special attention is paid to understanding the relationship or trade-off that exists between the overall exergy efficiency of the heat exchanger and its cost. The iterative algorithm used to find the geometrical parameters that yield the best performance in terms of volume of material required per unit of exergy transfer at a certain level of efficiency, as well as the assumptions and simplifications made, are comprehensively explained. It has been found through the analyses carried out performed, which are thoroughly discussed throughout the paper, that if the characteristic dimension of the heat exchanger is scaled up by a factor of n, the volume of material per kW of exergy transfer at certain exergy efficiency will increase by a factor of n squared. This is a very important observation, possibly applicable to other types of heat exchangers, that indicates that performance improves dramatically at smaller scales. The overall performance of the case study presented is satisfactory, a volume of material as low as 84.8 cm"3 for one kW of exergy transfer can be achieved with a 99% exergy

Monte Carlo study of a ferrimagnetic mixed-spin (2, 5/2) system with the nearest and next-nearest neighbors exchange couplings

Science.gov (United States)

Bi, Jiang-lin; Wang, Wei; Li, Qi

2017-07-01

In this paper, the effects of the next-nearest neighbors exchange couplings on the magnetic and thermal properties of the ferrimagnetic mixed-spin (2, 5/2) Ising model on a 3D honeycomb lattice have been investigated by the use of Monte Carlo simulation. In particular, the influences of exchange couplings (Ja, Jb, Jan) and the single-ion anisotropy(Da) on the phase diagrams, the total magnetization, the sublattice magnetization, the total susceptibility, the internal energy and the specific heat have been discussed in detail. The results clearly show that the system can express the critical and compensation behavior within the next-nearest neighbors exchange coupling. Great deals of the M curves such as N-, Q-, P- and L-types have been discovered, owing to the competition between the exchange coupling and the temperature. Compared with other theoretical and experimental works, our results have an excellent consistency with theirs.

Equilibrium dialysis-ligand exchange: adaptation of the method for determination of conditional stability constants of radionuclide-fulvic acid complexes

International Nuclear Information System (INIS)

Glaus, M.A.; Hummel, W.; Van Loon, L.R.

1995-01-01

The equilibrium dialysis-ligand exchange technique (EDLE) is used to determine conditional stability constants for the complexation of metal ions with humic acid, particularly in high pH solutions. Here, this technique has been adapted to measure conditional stability constants with fulvic acid. Fulvic acid permeates across all membranes during the experiment. The quantities involved therefore have to be determined analytically and taken into account when calculating the conditional stability constants. Co(II) and Laurentian Soil fulvic (LFA) acid were selected as a test system in order to investigate the time scale required to establish chemical and diffusion equilibria. After an incubation time of approximately two days, the conditional stability constants measured for the formation of Co-LFA-complexes are not time dependent, although across the whole time period investigated, LFA was still diffusing in increasing amounts across the dialysis membrane. This work demonstrates that the modified EDLE technique can be used in the determination of conditional metal stability constants of fulvic acid. (authors)

Interfacial exchange coupling and magnetization reversal in perpendicular [Co/Ni]N/TbCo composite structures.

Science.gov (United States)

Tang, M H; Zhang, Zongzhi; Tian, S Y; Wang, J; Ma, B; Jin, Q Y

2015-06-15

Interfacial exchange coupling and magnetization reversal characteristics in the perpendicular heterostructures consisting of an amorphous ferrimagnetic (FI) TbxCo(100-x) alloy layer exchange-coupled with a ferromagnetic (FM) [Co/Ni]N multilayer have been investigated. As compared with pure TbxCo(100-x) alloy, the magnetization compensation composition of the heterostructures shift to a higher Tb content, implying Co/Ni also serves to compensate the Tb moment in TbCo layer. The net magnetization switching field Hc⊥ and interlayer interfacial coupling field Hex, are not only sensitive to the magnetization and thickness of the switched TbxCo(100-x) or [Co/Ni]N layer, but also to the perpendicular magnetic anisotropy strength of the pinning layer. By tuning the layer structure we achieve simultaneously both large Hc⊥ = 1.31 T and Hex = 2.19 T. These results, in addition to the fundamental interest, are important to understanding of the interfacial coupling interaction in the FM/FI heterostructures, which could offer the guiding of potential applications in heat-assisted magnetic recording or all-optical switching recording technique.

gDsDK*0 and gBsDK*0 coupling constants in QCD sum rules

International Nuclear Information System (INIS)

Şahin, S; Sundu, H; Azizi, K

2012-01-01

In the present study, we calculate the strong coupling constants g D s DK* 0 (800) and g B s DK* 0 (800) within the three-point QCD sum rules approach. We evaluate the correlation function of the considered vertices taking into account both D[B] and K* 0 (800) mesons as off-shell states.

Transition from the constant ion mobility regime to the ion-atom charge-exchange regime for bounded collisional plasmas

International Nuclear Information System (INIS)

Poggie, Jonathan; Sternberg, Natalia

2005-01-01

A numerical and analytical study of a planar, collisional, direct-current, plasma-wall problem is presented. The fluid model for the problem is first validated by comparing numerical solutions with experimental data for low-pressure (∼0.1 Pa) electrode sheaths with wall potentials on the order of -100 V. For electric potential, ion number density, and ion velocity, good agreement was found between theory and experiment from within the sheath out to the bulk plasma. The frictional drag resulting from ion-neutral collisions is described by a model incorporating both linear and quadratic velocity terms. In order to study the transition from the constant ion mobility regime (linear friction) to the ion-atom charge-exchange collision regime (quadratic friction), the theoretical model was examined numerically for a range of ion temperatures and ion-neutral collision rates. It was found that the solution profiles in the quasineutral plasma depend on the ion temperature. For low ion temperatures they are governed mainly by the ion-atom charge-exchange regime, whereas for high temperatures they are governed by the constant ion mobility regime. Quasineutral plasma models corresponding to these two limiting cases were solved analytically. In particular, an analytical plasma solution is given for the ion-atom charge exchange regime that includes the effects of ion inertia. In contrast to the quasineutral plasma, the sheath is always governed for low to moderate collision rates by the ion-atom charge-exchange regime, independent of the ion temperature. Varying the collision rate, it was shown that when the wall potential is sufficiently high, the sheath cannot be considered collisionless, even if the collision rate is quite small

Isotopic equilibrium constants of the deuterium exchange between HDO and H2S, H2Se and H2Te

International Nuclear Information System (INIS)

Marx, D.

1959-11-01

We have determined experimentally the equilibrium constant K of each of the following isotope exchanges: SH 2 + OHD ↔ SHD + OH 2 ; SeH 2 + OHD ↔ SeHD + OH 2 ; TeH 2 + OHD ↔ TeHD + OH 2 . In gaseous phase, statistical thermodynamics leads to the expression: K (Z OHD x Z RH 2 )/(Z OH 2 x Z RHD ) x e W/T (R being the elements S, Se or Te). Z, the partition functions, have been calculated and, through our experimental results, the constant W has been determined. Having obtained W, the equilibrium constant K has been calculated for a series of temperatures. (author) [fr

45° sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co3FeN/MnN bilayers

Science.gov (United States)

Hajiri, T.; Yoshida, T.; Filianina, M.; Jaiswal, S.; Borie, B.; Asano, H.; Zabel, H.; Kläui, M.

2018-01-01

We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45° period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully epitaxial Co3FeN/MnN bilayers by longitudinal and transverse magneto-optic Kerr effect magnetometry. These results provide a deeper understanding of the exchange coupling phenomena in fully epitaxial bilayers with tailored materials and open up a complex switching energy landscape engineering by anisotropies.

/sup 13/C-/sup 13/C spin-spin coupling constants in structural investigations. I. New method of determining the configuration of oximes and their derivatives

Energy Technology Data Exchange (ETDEWEB)

Krivdin, L.B.; Shcherbakov, V.V.; Kalabin, G.A.

1986-07-10

It was shown that the direct /sup 13/C-/sup 13/C spin-spin coupling constants can be used for the unambiguous identification of the configurational isomers of oximes and their derivatives. The stereospecificity of the constants is explained by the additional contribution from the unshared electron pair of the nitrogen atom to the spin-spin coupling constant between the adjacent carbon nuclei in the cis position.

Experimental study of energy exchanges between two coupled granular gases

OpenAIRE

Chastaing , J.-Y; Géminard , J.-C; Naert , A

2016-01-01

International audience; We report on the energy exchanges between two granular gases of different densities coupled electrome-chanically by immersed blades attached to dc motors. Zeroing the energy flux between the two subsystems, we demonstrate that an immersed blade is a convenient way to assess the properties of the granular gases, provided that the dissipation in the motor is properly taken into account. In addition, when the two gases have different densities, the fluctuations of the ene...

First-Principles Computed Rate Constant for the O + O2 Isotopic Exchange Reaction Now Matches Experiment.

Science.gov (United States)

Guillon, Grégoire; Honvault, Pascal; Kochanov, Roman; Tyuterev, Vladimir

2018-04-19

We show, by performing exact time-independent quantum molecular scattering calculations, that the quality of the ground electronic state global potential energy surface appears to be of utmost importance in accurately obtaining even as strongly averaged quantities as kinetic rate constants. The oxygen isotope exchange reaction, 18 O + 32 O 2 , motivated by the understanding of a complex long-standing problem of isotopic ozone anomalies in the stratosphere and laboratory experiments, is explored in this context. The thermal rate constant for this key reaction is now in quantitative agreement with all experimental data available to date. A significant recent progress at the frontier of three research domains, advanced electronic structure calculations, ultrasensitive spectroscopy, and quantum scattering calculations, has therefore permitted a breakthrough in the theoretical modeling of this crucial collision process from first principles.

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

DEFF Research Database (Denmark)

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

1998-01-01

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

Exchange-coupled hard magnetic Fe-Co/CoPt nanocomposite films fabricated by electro-infiltration

Directory of Open Access Journals (Sweden)

Xiao Wen

2017-05-01

Full Text Available This paper introduces a potentially scalable electro-infiltration process to produce exchange-coupled hard magnetic nanocomposite thin films. Fe-Co/CoPt nanocomposite films are fabricated by deposition of CoFe2O4 nanoparticles onto Si substrate, followed by electroplating of CoPt. Samples are subsequently annealed under H2 to reduce the CoFe2O4 to magnetically soft Fe-Co and also induce L10 ordering in the CoPt. Resultant films exhibit 0.97 T saturation magnetization, 0.70 T remanent magnetization, 127 kA/m coercivity and 21.8 kJ/m3 maximum energy density. First order reversal curve (FORC analysis and δM plot are used to prove the exchange coupling between soft and hard magnetic phases.

Study of coupled-cluster correlations on electromagnetic transitions and hyperfine structure constants of W VI

International Nuclear Information System (INIS)

Bhowmik, Anal; Majumder, Sonjoy; Roy, Sourav; Dutta, Narendra Nath

2017-01-01

This work presents precise calculations of important electromagnetic transition amplitudes along with details of their many-body correlations using the relativistic coupled-cluster method. Studies of hyperfine interaction constants, useful for plasma diagnostics, with this correlation exhaustive many-body approach, are another important area of this work. The calculated oscillator strengths of allowed transitions, amplitudes of forbidden transitions and lifetimes are compared with the other theoretical results wherever available and they show a good agreement. Hyperfine constants of different isotopes of W VI, presented in this paper, will be helpful in gaining an accurate picture of the abundances of this element in different astronomical bodies. (paper)

Exchange coupling in permalloy/BiFeO3 heterostructures

Science.gov (United States)

Heron, John; Wang, Chen; Carlton, David; Nowakowski, Mark; Gajek, Martin; Awschalom, David; Bokor, Jeff; Ralph, Dan; Ramesh, R.

2010-03-01

BiFeO3 is a ferroelectric and antiferromagnetic multiferroic with the ferroelectric and antiferromagnetic order parameters coupled at room temperature. This coupling results in the reorientation of the ferroelectric and magnetic domains as applied voltages switch the electric polarization. Previous studies using ferromagnet/BiFeO3 heterostructures have shown that the anisotropy of the ferromagnetic layer can be tuned by the ferroelectric domain structure of the BiFeO3 film [1, 2]. The physical mechanism driving this exchange bias with BiFeO3 is still under investigation. We use patterned permalloy structures, with varying aspect ratios, on BiFeO3 thin films to investigate the physics of this interaction. The results of our studies using MFM, PEEM, and MOKE to understand this mechanism as a means to electric field control of magnetic structures will be presented. [4pt] [1] H. Bea et al., Physical Review Letters 100, 017204 (2008).[0pt] [2] L.W. Martin et al., Nanoletters 8, 2050 (2008).

SmB6 electron-phonon coupling constant from time- and angle-resolved photoelectron spectroscopy

Science.gov (United States)

Sterzi, A.; Crepaldi, A.; Cilento, F.; Manzoni, G.; Frantzeskakis, E.; Zacchigna, M.; van Heumen, E.; Huang, Y. K.; Golden, M. S.; Parmigiani, F.

2016-08-01

SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above the Fermi level can be described by a time-dependent Fermi-Dirac distribution. By solving a two-temperature model that well reproduces the relaxation dynamics of the effective electronic temperature, we estimate the electron-phonon coupling constant λ to range from 0.13 ±0.03 to 0.04 ±0.01 . These extremes are obtained assuming a coupling of the electrons with either a phonon mode at 10 or 19 meV. A realistic value of the average phonon energy will give an actual value of λ within this range. Our results provide an experimental report on the material electron-phonon coupling, contributing to both the electronic transport and the macroscopic thermodynamic properties of SmB6.

Influence of ion bombardment induced patterning of exchange bias in pinned artificial ferrimagnets on the interlayer exchange coupling

Energy Technology Data Exchange (ETDEWEB)

Schmalhorst, Jan; Reiss, Guenter; Hoenik, V. [Thin Films and Nanostructures, Department of Physics, Univ. Bielefeld (Germany); Weis, Tanja; Engel, Dieter; Ehresmann, Arno [Institute of Physics and Center for Interdisciplinary Nanostructure Science and Technology, Kassel Univ. (Germany)

2007-07-01

Artificial ferrimagnets (AFi) have many applications as, e.g., pinned reference electrodes in magnetic tunnel junctions. It is known that the application of ion bombardment induced magnetic patterning with He ions on a single layer reference electrode of magnetic tunnel junctions is possible. For some applications a combination of ion bombardment induced magnetic patterning and artificial ferrimagnets as a reference electrode is desirable. The effect of ion bombardment induced magnetic patterning on pinned artificial ferrimagnets with a Ru interlayer which is frequently used in magnetic tunnel junctions as well as pinned AFis with a Cu interlayer has been tested. Special attention has been given to the question whether the antiferromagnetic interlayer exchange coupling can withstand the ion dose necessary to turn the exchange bias.

Tilt engineering of exchange coupling at G-type SrMnO3/(La,Sr)MnO3 interfaces

Science.gov (United States)

Li, F.; Song, C.; Wang, Y. Y.; Cui, B.; Mao, H. J.; Peng, J. J.; Li, S. N.; Wang, G. Y.; Pan, F.

2015-11-01

With the recent realization of hybrid improper ferroelectricity and room-temperature multiferroic by tilt engineering, “functional” octahedral tilting has become a novel concept in multifunctional perovskite oxides, showing great potential for property manipulation and device design. However, the control of magnetism by octahedral tilting has remained a challenging issue. Here a qualitative and quantitative tilt engineering of exchange coupling, one of the magnetic properties, is demonstrated at compensated G-type antiferromagnetic/ferromagnetic (SrMnO3/La2/3Sr1/3MnO3) interfaces. According to interfacial Hamiltonian, exchange bias (EB) in this system originates from an in-plane antiphase rotation (a-) in G-type antiferromagnetic layer. Based on first-principles calculation, tilt patterns in SrMnO3 are artificially designed in experiment with different epitaxial strain and a much stronger EB is attained in the tensile heterostructure than the compressive counterpart. By controlling the magnitude of octahedral tilting, the manipulation of exchange coupling is even performed in a quantitative manner, as expected in the theoretical estimation. This work realized the combination of tilt engineering and exchange coupling, which might be significant for the development of multifunctional materials and antiferromagnetic spintronics.

45○ sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co3FeN/MnN bilayers.

Science.gov (United States)

Hajiri, Tetsuya; Yoshida, Takuya; Filianina, Mariia; Jaiswal, Samridh; Borie, Benjamin; Asano, H; Zabel, Hartmut; Klaui, Mathias

2017-11-20

We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45$^\\circ$ period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully epitaxial Co$_3$FeN/MnN bilayers by longitudinal and transverse magneto-optic Kerr effect magnetometry. These results provide a deeper understanding of the exchange coupling phenomena in fully epitaxial bilayers with tailored materials and open up a complex switching energy landscape engineering by anisotropies. © 2017 IOP Publishing Ltd.

Kinetics and mechanism of ligand-exchange reactions of Cd(II) chelates

Energy Technology Data Exchange (ETDEWEB)

Nivorozhkin, L.E.; Kalabin, G.A.; Nivorozhkin, A.L.; Valeev, R.B.; Minkin, V.I.

1987-03-01

Tetrahedral Cd(II) bis(5-thio(or seleno)pyrazole-4-carboxaldiminates) of types II and III have been synthesized for the first time. The kinetics of the degenerate ligand exchange and enantiomerization of the complexes obtained have been studied by dynamic /sup 111/Cd, /sup 77/Se, and /sup 1/H (s = 1/2) NMR. The rate of intramolecular enantiomerization (k = 1/tau) is more than an order of magnitude greater than the corresponding values for processes of degenerate ligand exchange (a second-order reaction) determined from the dynamics of the averaging of the /sup 111/Cd-/sup 77/Se and /sup 111/Cd-N=CH spin-spin coupling constants. The cleavage and formation processes of the Cd-Se and Cd-N bonds are isoenergetic (..delta.. G/sub 298//sup not equal to/ = 14.4 kcal/mole for chelate II with X = Se and R = CH/sub 2/C/sub 6/H/sub 5/). The free energies of activation of degenerate ligand exchange determined form the dynamics of the averaging of the /sup 111/Cd N=CH spin-spin coupling constant increase from 12.7 to 17.9 kcal/mole along the following series for R: C/sub 2/H/sub 5/ < Ar < CH/sub 2/C/sub 6/H/sub 5/ < t-C/sub 4/H/sub 9/ < cyclo-C/sub 6/H/sub 11/. Replacement of the sulfur atom in the chelate ring by selenium results in increases in the rates of ligand exchange. A mechanism of degenerate ligand exchange has been proposed.

A New Experiment for the Measurement of nJ(C,P) Coupling Constants Including 3J(C4'i,Pi) and 3J(C4'i,Pi+1) in Oligonucleotides

International Nuclear Information System (INIS)

Richter, Christian; Reif, Bernd; Woerner, Karlheinz; Quant, Stefanie; Marino, John P.; Engels, Joachim W.; Griesinger, Christian; Schwalbe, Harald

1998-01-01

A new experiment for the measurement of nJ(C,P) coupling constants along the phosphodiester backbone in RNA and DNA based on a quantitative-J HCP experiment is presented. In addition to coupling constants, in which a carbon atom couples to only one phosphorus atom, both the intraresidual 3J(C4'i,Pi) and the sequential 3J(C4'i,Pi+1) for the C4' resonances that couple to two phosphorus atoms can be obtained. Coupling constants obtained by this new method are compared to values obtained from the P-FIDS experiment. Together with 3J(H,P) coupling constants measured using the P-FIDS experiment, the backbone angles β and element of can be determined

Peculiarities of MCD C-term saturation behavior of the exchange coupled Co(II) dimers

International Nuclear Information System (INIS)

Ostrovsky, S.M.

2011-01-01

Graphical abstract: The change of sign of the MCD signal with temperature and magnetic field increase can take place. The origin of this peculiarity is explained by the strong orbital contribution. Highlights: → MCD C-term saturation behavior of the exchange coupled cobalt dimer. → Strong orbital contribution to the magneto-optical behavior. → Change of sign of the MCD signal with temperature and magnetic field increase. - Abstract: The MCD C-term saturation behavior of the exchange coupled octahedrally coordinated cobalt dimers is studied for different types of distortion of the local surrounding of each interacting ion. It was found that in the case of antiferromagnetic exchange interaction the change of sign of the MCD signal with temperature and magnetic field increase can take place. This signal behavior is not the result of overlapping of different electronic transitions and it is characteristic of an individual MCD line. The origin of this magneto-optical behavior is explained by the strong contribution coming from the unquenched orbital angular momenta of interacting cobalt ions. The found peculiarity is inherent to complexes composed of nonequivalent cobalt ions as well as to the dimeric complexes with the equivalent Co ions with nonparallel local axes.

Magneto-Spin-Orbit Graphene: Interplay between Exchange and Spin-Orbit Couplings.

Science.gov (United States)

Rybkin, Artem G; Rybkina, Anna A; Otrokov, Mikhail M; Vilkov, Oleg Yu; Klimovskikh, Ilya I; Petukhov, Anatoly E; Filianina, Maria V; Voroshnin, Vladimir Yu; Rusinov, Igor P; Ernst, Arthur; Arnau, Andrés; Chulkov, Evgueni V; Shikin, Alexander M

2018-03-14

A rich class of spintronics-relevant phenomena require implementation of robust magnetism and/or strong spin-orbit coupling (SOC) to graphene, but both properties are completely alien to it. Here, we for the first time experimentally demonstrate that a quasi-freestanding character, strong exchange splitting and giant SOC are perfectly achievable in graphene at once. Using angle- and spin-resolved photoemission spectroscopy, we show that the Dirac state in the Au-intercalated graphene on Co(0001) experiences giant splitting (up to 0.2 eV) while being by no means distorted due to interaction with the substrate. Our calculations, based on the density functional theory, reveal the splitting to stem from the combined action of the Co thin film in-plane exchange field and Au-induced Rashba SOC. Scanning tunneling microscopy data suggest that the peculiar reconstruction of the Au/Co(0001) interface is responsible for the exchange field transfer to graphene. The realization of this "magneto-spin-orbit" version of graphene opens new frontiers for both applied and fundamental studies using its unusual electronic bandstructure.

First-order exchange coefficient coupling for simulating surface water-groundwater interactions: Parameter sensitivity and consistency with a physics-based approach

Science.gov (United States)

Ebel, B.A.; Mirus, B.B.; Heppner, C.S.; VanderKwaak, J.E.; Loague, K.

2009-01-01

Distributed hydrologic models capable of simulating fully-coupled surface water and groundwater flow are increasingly used to examine problems in the hydrologic sciences. Several techniques are currently available to couple the surface and subsurface; the two most frequently employed approaches are first-order exchange coefficients (a.k.a., the surface conductance method) and enforced continuity of pressure and flux at the surface-subsurface boundary condition. The effort reported here examines the parameter sensitivity of simulated hydrologic response for the first-order exchange coefficients at a well-characterized field site using the fully coupled Integrated Hydrology Model (InHM). This investigation demonstrates that the first-order exchange coefficients can be selected such that the simulated hydrologic response is insensitive to the parameter choice, while simulation time is considerably reduced. Alternatively, the ability to choose a first-order exchange coefficient that intentionally decouples the surface and subsurface facilitates concept-development simulations to examine real-world situations where the surface-subsurface exchange is impaired. While the parameters comprising the first-order exchange coefficient cannot be directly estimated or measured, the insensitivity of the simulated flow system to these parameters (when chosen appropriately) combined with the ability to mimic actual physical processes suggests that the first-order exchange coefficient approach can be consistent with a physics-based framework. Copyright ?? 2009 John Wiley & Sons, Ltd.

Spin Wave Theory in Two-Dimensional Coupled Antiferromagnets

Science.gov (United States)

Shimahara, Hiroshi

2018-04-01

We apply spin wave theory to two-dimensional coupled antiferromagnets. In particular, we primarily examine a system that consists of small spins coupled by a strong exchange interaction J1, large spins coupled by a weak exchange interaction J2, and an anisotropic exchange interaction J12 between the small and large spins. This system is an effective model of the organic antiferromagnet λ-(BETS)2FeCl4 in its insulating phase, in which intriguing magnetic phenomena have been observed, where the small and large spins correspond to π electrons and 3d spins, respectively. BETS stands for bis(ethylenedithio)tetraselenafulvalene. We obtain the antiferromagnetic transition temperature TN and the sublattice magnetizations m(T) and M(T) of the small and large spins, respectively, as functions of the temperature T. When T increases, m(T) is constant with a slight decrease below TN, even where M(T) decreases significantly. When J1 ≫ J12 and J2 = 0, an analytical expression for TN is derived. The estimated value of TN and the behaviors of m(T) and M(T) agree with the observations of λ-(BETS)2FeCl4.

Uppsala neutron-proton scattering measurements and the πNN coupling constant

International Nuclear Information System (INIS)

Olsson, N.; Blomgren, J.; Conde, H.; Dangtip, S.; Elmgren, K.; Rahm, J.; Roennqvist, T.; Zorro, R.; Loiseau, B.

2000-01-01

The differential np scattering cross section has been measured at 96 MeV and 162 MeV at backward angles at the neutron beam facility of the The Svedberg Laboratory in Uppsala. The angular distributions have been normalized to the experimental total np cross section. Between 150 and 180 , the angular distributions are steeper than for most previous measurements and nucleon-nucleon potential predictions, but for all the angular range covered, the data agree very well in shape with the recent PSI data. At 180 , the difference versus older data amounts to about 10%, implying serious consequences because of the fundamental importance of this cross section. Values of the charged πNN coupling constant have been extracted from the data. (orig.)

Determination of the ratio of axial-vector-to-vector weak coupling constants for beta decay of triton

CERN Document Server

Akulov, Y A

2002-01-01

Data on the chemical shifts of half-lives for atomic and molecular tritium were used to determine the ratio of axial-vector-to-vector weak coupling constants for beta decay of triton (G sub A /G sub V) sub t = -1.2646 +- 0.0035

Analysis of a double-pipe heat exchanger performance using heat structure coupling of MARS and CUPID

International Nuclear Information System (INIS)

Amidua, M.; Kim, H.; Cho, H. K.

2015-01-01

Thermal hydraulic phenomena in the inner tube of the double-pipe heat exchanger are expected to be reproducible by one-dimensional system analysis codes (MARS) if a proper condensation heat transfer coefficient is applied. Jeon et al (2013) and Cho et al (2013) conducted comprehensive reviews of the predictive capability of the condensation heat transfer models for the steam-water stratified flow. On the contrary, in the outer tube, a multidimensional analysis tool is required to incorporate the influence of azimuthal angle on the heat transfer rate from the inner tube outer wall to the outer tube fluid. Therefore, a coupled calculation between one dimensional system analysis code and a multidimensional computational fluid dynamics code is an attainable way to predict this effect with a reliable accuracy. CUPID is a three-dimensional computational multiphase fluid dynamics code developed by KAERI (Korea Atomic Energy Research Institute). According to Jeong et al (2010), the objective of the development is to support a resolution for the thermal hydraulic issues regarding the transient multi-dimensional twophase phenomena which can arise in an advanced light water reactor. It uses two-fluid model for the governing equations, which uses two sets of Navier-Stokes' equations for two phases. It can be used as either a typical CFD code or a component code (porous CFD code) depending on the length scale of the phenomena that need to be resolved. On the other hand, MARS is a best estimate thermalhydraulic system code and it was developed at KAERI by consolidating and restructuring the RELAP5/MOD3.2 code and COBRA-TF code (Cho et al., 2014). The MARS code has the capability to analyze best-estimated thermal hydraulic system. In this study, the coupled CUPID-MARS code was used for the simulation of a double-pipe heat exchanger. This paper presents the description of the heat exchanger, the coupling method, and the simulation results using the coupled code. The coupling

Origin of open recoil curves in L1_0-A1 FePt exchange coupled nanocomposite thin film

International Nuclear Information System (INIS)

Goyal, Rajan; Kapoor, Akanksha; Lamba, S.; Annapoorni, S.

2016-01-01

Mixed phase FePt systems with intergranular coupling may be looked upon as natural exchange spring systems. The coupling strength between the soft and hard phase in these systems can be analyzed using recoil curves. However, the origin of open recoil curves depicting the breakdown of exchange coupling or anisotropy variation in hard phase is still an ambiguity and requires an in-depth analysis. In order to investigate this, an analysis of the recoil curves for L1_0–A1 FePt nanocomposite thin films of varying thickness have been performed. The switching field distribution reveals that the maximum of openness of recoil curve is directly proportional to the amount of uncoupled soft phase present in the system. The coupling between the hard and soft phase is also found to increase with the thickness of the film. Monte Carlo simulations on a model three dimensional array of interacting nanomagnetic grains provide further insight into the effect of inter granular exchange interactions between the soft and hard phases. - Highlights: • L1_0-A1 FePt nanocomposites thin films of different thickness have been fabricated by DC sputtering. • Hysteresis curve measurements exhibit perfect single phase (L1_0) like behavior for thicker films. • SFD reveals that the openness of recoil curves is directly linked with the amount of uncoupled soft (A1) phase. • Monte Carlo simulation predicts that the extent of exchange interaction increases with thickness of the film.

Nuclei quadrupole coupling constants in diatomic molecule

International Nuclear Information System (INIS)

Ivanov, A.I.; Rebane, T.K.

1993-01-01

An approximate relationship between the constants of quadrupole interaction of nuclei in a two-atom molecule is found. It enabled to establish proportionality of oscillatory-rotation corrections to these constants for both nuclei in the molecule. Similar results were obtained for the factors of electrical dipole-quadrupole screening of nuclei. Applicability of these relationships is proven by the example of lithium deuteride molecule. 4 refs., 1 tab

Evidence of exchange-coupled behavior in chromium-cobalt ferrite nanoparticles

Science.gov (United States)

Tanbir, Kamar; Sharma, Lalit Kumar; Aakash; Singh, Rakesh Kumar; Choubey, Ravi Kant; Mukherjee, Samrat

2018-06-01

Cr doped cobalt ferrite nanoparticles were synthesized with the generic formula Co1-xCrxFe2O4 (x = 0, 0.05, 0.15, 0.25) through standard chemical co-precipitation method. XRD studies confirmed the pure spinel cubic structure belonging to Fd 3 bar m space group. From the Williamson-Hall plots, crystallite sizes were found to lie within the range (42 ± 1) nm for the different doped samples. The lattice parameter was found to decrease linearly with increase in the concentration of Cr3+ ion. The magnetic behavior of the samples was determined by M-H studies at 300 K, field cooled (5 T) at 5 K and temperature dependent studies. The M-H at 300 K show soft magnetic behavior whereas the M-H plots at 5 K predict the existence of in-homogeneity of the exchange interactions due to strong exchange coupling between the spins at the core and the surface of the nanoparticles.

J-Spectroscopy in the presence of residual dipolar couplings: determination of one-bond coupling constants and scalable resolution

International Nuclear Information System (INIS)

Furrer, Julien; John, Michael; Kessler, Horst; Luy, Burkhard

2007-01-01

The access to weak alignment media has fuelled the development of methods for efficiently and accurately measuring residual dipolar couplings (RDCs) in NMR-spectroscopy. Among the wealth of approaches for determining one-bond scalar and RDC constants only J-modulated and J-evolved techniques retain maximum resolution in the presence of differential relaxation. In this article, a number of J-evolved experiments are examined with respect to the achievable minimum linewidth in the J-dimension, using the peptide PA 4 and the 80-amino-acid-protein Saposin C as model systems. With the JE-N-BIRD d,X -HSQC experiment, the average full-width at half height could be reduced to approximately 5 Hz for the protein, which allows the additional resolution of otherwise unresolved peaks by the active (J+D)-coupling. Since RDCs generally can be scaled by the choice of alignment medium and alignment strength, the technique introduced here provides an effective resort in cases when chemical shift differences alone are insufficient for discriminating signals. In favorable cases even secondary structure elements can be distinguished

1,2-Difluoroethane: the angular dependance on 1J(CF) coupling constants is independent of hyperconjugation.

Science.gov (United States)

Freitas, Matheus P; Bühl, Michael; O'Hagan, David

2012-02-28

1,2-Difluoroethane is widely recognised to adopt a lower energy gauche rather than anti conformation; this gauche effect has its origin in hyperconjugation; however, surprisingly the (1)J(CF) coupling constant is not influenced by hyperconjugation; instead, its magnitude changes with the overall molecular dipole. This journal is © The Royal Society of Chemistry 2012

Coupled acoustic-gravity field for dynamic evaluation of ion exchange with a single resin bead.

Science.gov (United States)

Kanazaki, Takahiro; Hirawa, Shungo; Harada, Makoto; Okada, Tetsuo

2010-06-01

A coupled acoustic-gravity field is efficient for entrapping a particle at the position determined by its acoustic properties rather than its size. This field has been applied to the dynamic observation of ion-exchange reactions occurring in a single resin bead. The replacement of counterions in an ion-exchange resin induces changes in its acoustic properties, such as density and compressibility. Therefore, we can visually trace the advancement of an ion-exchange reaction as a time change in the levitation position of a resin bead entrapped in the field. Cation-exchange reactions occurring in resin beads with diameters of 40-120 microm are typically completed within 100-200 s. Ion-exchange equilibrium or kinetics is often evaluated with off-line chemical analyses, which require a batch amount of ion exchangers. Measurements with a single resin particle allow us to evaluate ion-exchange dynamics and kinetics of ions including those that are difficult to measure by usual off-line analyses. The diffusion properties of ions in resins have been successfully evaluated from the time change in the levitation positions of resin beads.

Oscillatory Energy Exchange Between Waves Coupled by a Dynamic Artificial Crystal

OpenAIRE

Karenowska, Alexy D.; Tiberkevich, Vasil S.; Chumak, Andrii V.; Serga, Alexander A.; Gregg, John F.; Slavin, Andrei N.; Hillebrands, Burkard

2011-01-01

We describe a general mechanism of controllable energy exchange between waves propagating in a dynamic artificial crystal. We show that if a spatial periodicity is temporarily imposed on the transmission properties of a wave-carrying medium whilst a wave is inside, this wave is coupled to a secondary counter-propagating wave and energy oscillates between the two. The oscillation frequency is determined by the width of the spectral band gap created by the periodicity and the frequency differen...

Anisotropic constant-roll inflation

Energy Technology Data Exchange (ETDEWEB)

Ito, Asuka; Soda, Jiro [Kobe University, Department of Physics, Kobe (Japan)

2018-01-15

We study constant-roll inflation in the presence of a gauge field coupled to an inflaton. By imposing the constant anisotropy condition, we find new exact anisotropic constant-roll inflationary solutions which include anisotropic power-law inflation as a special case. We also numerically show that the new anisotropic solutions are attractors in the phase space. (orig.)

Loss of incoherence and determination of coupling constants in quantum gravity

International Nuclear Information System (INIS)

Giddings, S.B.; Strominger, A.

1988-01-01

The wave function of an interacting 'family' of one large 'parent' and many Planck-sized 'baby' universes is computed in a semiclassical approximation using an adaptation of Hartle-Hawking initial conditions. A recently discovered gravitational instanton which exists for general relativity coupled to axions is employed. The outcome of a single experiment in the parent universe is in general described by a mixed state, even if the initial state is pure. However, a sequence of measurements rapidly collapses the wave function of the family of universes into one of an infinite number of 'coherent' states for which quantum incoherence is not observed in the parent universe. This provides a concrete illustration of an unexpected phenomena whose existence has been argued for on quite general grounds by Coleman: Quantum incoherence due to information loss to baby universes is not experimentally observable. We further argue that all coupling constants governing dynamics in the parent universe depend on the parameters describing the particular coherent state into which the family wave function collapses. In particular, generically terms that violate any global symmetries will be induced in the effective action for the parent universe. These last results have much broader applicability than our specific model. (orig.)

/sup 13/C-/sup 13/C spin-spin coupling constants in structural investigations. II. Conformational structure of vinyl ethers

Energy Technology Data Exchange (ETDEWEB)

Krivdin, L.B.; Shcherbakov, V.V.; Bzhezovskii, V.M.; Kalabin, G.A.

1986-10-10

The /sup 13/C-/sup 13/C spin-spin coupling constants between the carbon nuclei of the vinyl group were measured for a series of vinyl ethers. It was established that the unshared electron pairs of the oxygen atom can make a substantial stereospecific contribution to the direct /sup 13/C-/sup 13/C constants of the adjacent nuclei. The observed effect was used to establish the conformational structure of the compounds.

Origin of open recoil curves in L1{sub 0}-A1 FePt exchange coupled nanocomposite thin film

Energy Technology Data Exchange (ETDEWEB)

Goyal, Rajan [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Kapoor, Akanksha [M. Tech Nanoscience and Nanotechnology, University of Delhi, Delhi 110007 (India); Lamba, S. [School of Sciences, Indira Gandhi National Open University, New Delhi 110068 (India); Annapoorni, S., E-mail: annapoornis@yahoo.co.in [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

2016-11-15

Mixed phase FePt systems with intergranular coupling may be looked upon as natural exchange spring systems. The coupling strength between the soft and hard phase in these systems can be analyzed using recoil curves. However, the origin of open recoil curves depicting the breakdown of exchange coupling or anisotropy variation in hard phase is still an ambiguity and requires an in-depth analysis. In order to investigate this, an analysis of the recoil curves for L1{sub 0}–A1 FePt nanocomposite thin films of varying thickness have been performed. The switching field distribution reveals that the maximum of openness of recoil curve is directly proportional to the amount of uncoupled soft phase present in the system. The coupling between the hard and soft phase is also found to increase with the thickness of the film. Monte Carlo simulations on a model three dimensional array of interacting nanomagnetic grains provide further insight into the effect of inter granular exchange interactions between the soft and hard phases. - Highlights: • L1{sub 0}-A1 FePt nanocomposites thin films of different thickness have been fabricated by DC sputtering. • Hysteresis curve measurements exhibit perfect single phase (L1{sub 0}) like behavior for thicker films. • SFD reveals that the openness of recoil curves is directly linked with the amount of uncoupled soft (A1) phase. • Monte Carlo simulation predicts that the extent of exchange interaction increases with thickness of the film.

Gauss-Bonnet coupling constant as a free thermodynamical variable and the associated criticality

International Nuclear Information System (INIS)

Xu, Wei; Xu, Hao; Zhao, Liu

2014-01-01

The thermodynamic phase space of Gauss-Bonnet (GB) AdS black holes is extended, taking the inverse of the GB coupling constant as a new thermodynamic pressure P GB . We studied the critical behavior associated with P GB in the extended thermodynamic phase space at fixed cosmological constant and electric charge. The result shows that when the black holes are neutral, the associated critical points can only exist in five dimensional GB-AdS black holes with spherical topology, and the corresponding critical exponents are identical to those for the Van der Waals system. For charged GB-AdS black holes, it is shown that there can be only one critical point in five dimensions (for black holes with either spherical or hyperbolic topologies), which also requires the electric charge to be bounded within some appropriate range; while in d < 5 dimensions, there can be up to two different critical points at the same electric charge, and the phase transition can occur only at temperatures which are not in between the two critical values. (orig.)

Interlayer exchange coupling, crystalline and magnetic structure in Fe/CsCl-FeSi multilayers grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Dekoster, J.; Degroote, S.; Meersschaut, J.; Moons, R.; Vantomme, A. [K.U. Leuven, Instituut voor Kern- en Stralingsfysica (Belgium); Bottyan, L.; Deak, L.; Szilagyi, E.; Nagy, D.L. [KFKI Research Institute for Particle and Nuclear Physics (Hungary); Baron, A.Q.R. [European Synchrotron Radiation Facility (France); Langouche, G. [K.U. Leuven, Instituut voor Kern- en Stralingsfysica (Belgium)

1999-09-15

Crystalline and magnetic structure as well as the interlayer exchange coupling in MBE grown Fe/FeSi multilayers are investigated. From conversion electron Moessbauer spectroscopy and ion beam channeling measurements the spacer FeSi material is found to be stabilized in a crystalline metastable metallic FeSi phase with the CsCl structure. Strong non-oscillatory interlayer exchange coupling is identified with magnetometry and synchrotron Moessbauer reflectometry. From the fits of the time spectrum and the resonant {phi}-{phi} scans a model for the sublayer magnetization of the multilayer is deduced.

Role of Detergents in Conformational Exchange of a G Protein-coupled Receptor*

Science.gov (United States)

Chung, Ka Young; Kim, Tae Hun; Manglik, Aashish; Alvares, Rohan; Kobilka, Brian K.; Prosser, R. Scott

2012-01-01

The G protein-coupled β2-adrenoreceptor (β2AR) signals through the heterotrimeric G proteins Gs and Gi and β-arrestin. As such, the energy landscape of β2AR-excited state conformers is expected to be complex. Upon tagging Cys-265 of β2AR with a trifluoromethyl probe, 19F NMR was used to assess conformations and possible equilibria between states. Here, we report key differences in β2AR conformational dynamics associated with the detergents used to stabilize the receptor. In dodecyl maltoside (DDM) micelles, the spectra are well represented by a single Lorentzian line that shifts progressively downfield with activation by appropriate ligand. The results are consistent with interconversion between two or more states on a time scale faster than the greatest difference in ligand-dependent chemical shift (i.e. >100 Hz). Given that high detergent off-rates of DDM monomers may facilitate conformational exchange between functional states of β2AR, we utilized the recently developed maltose-neopentyl glycol (MNG-3) diacyl detergent. In MNG-3 micelles, spectra indicated at least three distinct states, the relative populations of which depended on ligand, whereas no ligand-dependent shifts were observed, consistent with the slow exchange limit. Thus, detergent has a profound effect on the equilibrium kinetics between functional states. MNG-3, which has a critical micelle concentration in the nanomolar regime, exhibits an off-rate that is 4 orders of magnitude lower than that of DDM. High detergent off-rates are more likely to facilitate conformational exchange between distinct functional states associated with the G protein-coupled receptor. PMID:22893704

Role of detergents in conformational exchange of a G protein-coupled receptor.

Science.gov (United States)

Chung, Ka Young; Kim, Tae Hun; Manglik, Aashish; Alvares, Rohan; Kobilka, Brian K; Prosser, R Scott

2012-10-19

The G protein-coupled β(2)-adrenoreceptor (β(2)AR) signals through the heterotrimeric G proteins G(s) and G(i) and β-arrestin. As such, the energy landscape of β(2)AR-excited state conformers is expected to be complex. Upon tagging Cys-265 of β(2)AR with a trifluoromethyl probe, (19)F NMR was used to assess conformations and possible equilibria between states. Here, we report key differences in β(2)AR conformational dynamics associated with the detergents used to stabilize the receptor. In dodecyl maltoside (DDM) micelles, the spectra are well represented by a single Lorentzian line that shifts progressively downfield with activation by appropriate ligand. The results are consistent with interconversion between two or more states on a time scale faster than the greatest difference in ligand-dependent chemical shift (i.e. >100 Hz). Given that high detergent off-rates of DDM monomers may facilitate conformational exchange between functional states of β(2)AR, we utilized the recently developed maltose-neopentyl glycol (MNG-3) diacyl detergent. In MNG-3 micelles, spectra indicated at least three distinct states, the relative populations of which depended on ligand, whereas no ligand-dependent shifts were observed, consistent with the slow exchange limit. Thus, detergent has a profound effect on the equilibrium kinetics between functional states. MNG-3, which has a critical micelle concentration in the nanomolar regime, exhibits an off-rate that is 4 orders of magnitude lower than that of DDM. High detergent off-rates are more likely to facilitate conformational exchange between distinct functional states associated with the G protein-coupled receptor.

Nuclear spin-spin coupling constants of linear carbon chains terminated by coronene molecules: a first principles study

International Nuclear Information System (INIS)

Oliveira, Joao Paulo Cavalcante; Mota, F. de Brito; Rivelino, Roberto

2011-01-01

Full text. Carbon nano wires made of long linear atomic chains have attracted considerable interest due to their potential applications in nano electronics. We report a density-functional-theory study of the nuclear spin-spin coupling constants for nano assemblies made of two coronene molecules bridged by carbon linear chains, considering distinct sizes and spin multiplicities. Also, we examine the effects of two terminal conformations (syn and anti) of the terminal anchor pieces on the magnetic properties of the carbon chains via 13 C NMR calculations. Our results reveal that simplified chemical models such as those based on cumulenes or polyynes are not appropriate to describe the linear chains with sp 2 terminations. For these types of atomic chains, the electronic ground state of the even-numbered chains can be singlet or triplet, whereas the ground state of the odd-numbered chains can be doublet or quartet. We discuss how the 13 C NMR chemical shift absorption is affected by increasing the size and changing the parity of the linear carbon chains. We have found that the J coupling constants between the carbon atoms in the linear chains present a well-defined pattern, in good accordance with our electronic structure calculations. For example, in the -C 4 - units we obtain couplings of 43.8, 114.5, 84.6, 114.5, and 43.8 Hz from one end to the other

ATA and the electron phonon coupling constant in calculating TA of super conducting alloys [Paper No. : V-2

International Nuclear Information System (INIS)

Chatterjee, P.; Chatterjee, S.

1978-01-01

The theoretical formula of McMillan has been very successful in explaining the superconducting transition temperature. In this theory the electron-phonon coupling constant was very difficult to calculate from a purely theoretical stand point until Gyorffy and Gaspari gave a theoretical formulation from the multiple scattering point of view. This theory has been very successful in explaining Tsub(c) of many superconducting elements and compounds. For the disordered solid, such as substitution alloys, this theory fails because of the breakdown of the translational symmetry used in the multiple scattering theory of Gyorffy and Gaspari. This problem can however be solved if we average the Green's function in random phase approximation (ATA). In this work we have reformulated Gyorffy and Gaspari's expression of the electron phonon coupling constant in the random phase approximation. This theory has been utilised to alloys of Nb and Mo with different concentrations. The agreement between theory and experiment appears to be very good. (author)

Interface adjustment and exchange coupling in the IrMn/NiFe system

Energy Technology Data Exchange (ETDEWEB)

Spizzo, F.; Tamisari, M.; Chinni, F.; Bonfiglioli, E.; Del Bianco, L., E-mail: lucia.delbianco@unife.it

2017-01-01

The exchange bias effect was investigated, in the 5–300 K temperature range, in samples of IrMn [100 Å]/NiFe [50 Å] (set A) and in samples with inverted layer-stacking sequence (set B), produced at room temperature by DC magnetron sputtering in a static magnetic field of 400 Oe. The samples of each set differ for the nominal thickness (t{sub Cu}) of a Cu spacer, grown at the interface between the antiferromagnetic and ferromagnetic layers, which was varied between 0 and 2 Å. It has been found out that the Cu insertion reduces the values of the exchange field and of the coercivity and can also affect their thermal evolution, depending on the stack configuration. Indeed, the latter also determines a peculiar variation of the exchange bias properties with time, shown and discussed with reference to the samples without Cu of the two sets. The results have been explained considering that, in this system, the exchange coupling mechanism is ruled by the glassy magnetic behavior of the IrMn spins located at the interface with the NiFe layer. Varying the stack configuration and t{sub Cu} results in a modulation of the structural and magnetic features of the interface, which ultimately affects the spins dynamics of the glassy IrMn interfacial component. - Highlights: • Exchange bias effect in IrMn/NiFe samples with interfacial Cu spacer. • A variation of exchange bias with time is observed in as-deposited samples. • Magnetic modification of the interface by varying the stack sequence and Cu thickness. • Interface adjustment affects the dynamics of interfacial IrMn spins. • The exchange bias properties can be tuned by interface adjustment.

Exchange coupling mechanism for magnetization reversal and thermal stability of Co nanoparticles embedded in a CoO matrix

International Nuclear Information System (INIS)

Givord, Dominique; Skumryev, Vassil; Nogues, Josep

2005-01-01

A model providing a semi-quantitative account of the magnetic behavior of Co nanoparticles embedded in a CoO matrix is presented. The results confirm that exchange coupling at the interface between ferromagnetic (FM) and antiferromagnetic (AFM) nanostructures could provide an extra source of magnetic anisotropy, leading to thermal stability of the FM nanoparticles. It is shown that perpendicular coupling between the AFM and FM moments may result in large coercivities. The energy barrier, which works against reversal is due to the AFM susceptibility anisotropy. The experimentally observed exchange bias is tentatively ascribed to pre-existing intrinsic canting of the AFM moments at the interface

Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel

Energy Technology Data Exchange (ETDEWEB)

Křístková, Anežka; Malkin, Vladimir G. [Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská cesta 9, SK-84536 Bratislava (Slovakia); Komorovsky, Stanislav; Repisky, Michal [Centre for Theoretical and Computational Chemistry, University of Tromsø - The Arctic University of Norway, N-9037 Tromsø (Norway); Malkina, Olga L., E-mail: olga.malkin@savba.sk [Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská cesta 9, SK-84536 Bratislava (Slovakia); Department of Inorganic Chemistry, Comenius University, Bratislava (Slovakia)

2015-03-21

In this work, we report on the development and implementation of a new scheme for efficient calculation of indirect nuclear spin-spin couplings in the framework of four-component matrix Dirac-Kohn-Sham approach termed matrix Dirac-Kohn-Sham restricted magnetic balance resolution of identity for J and K, which takes advantage of the previous restricted magnetic balance formalism and the density fitting approach for the rapid evaluation of density functional theory exchange-correlation response kernels. The new approach is aimed to speedup the bottleneck in the solution of the coupled perturbed equations: evaluation of the matrix elements of the kernel of the exchange-correlation potential. The performance of the new scheme has been tested on a representative set of indirect nuclear spin-spin couplings. The obtained results have been compared with the corresponding results of the reference method with traditional evaluation of the exchange-correlation kernel, i.e., without employing the fitted electron densities. Overall good agreement between both methods was observed, though the new approach tends to give values by about 4%-5% higher than the reference method. On the average, the solution of the coupled perturbed equations with the new scheme is about 8.5 times faster compared to the reference method.

Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel

International Nuclear Information System (INIS)

Křístková, Anežka; Malkin, Vladimir G.; Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.

2015-01-01

In this work, we report on the development and implementation of a new scheme for efficient calculation of indirect nuclear spin-spin couplings in the framework of four-component matrix Dirac-Kohn-Sham approach termed matrix Dirac-Kohn-Sham restricted magnetic balance resolution of identity for J and K, which takes advantage of the previous restricted magnetic balance formalism and the density fitting approach for the rapid evaluation of density functional theory exchange-correlation response kernels. The new approach is aimed to speedup the bottleneck in the solution of the coupled perturbed equations: evaluation of the matrix elements of the kernel of the exchange-correlation potential. The performance of the new scheme has been tested on a representative set of indirect nuclear spin-spin couplings. The obtained results have been compared with the corresponding results of the reference method with traditional evaluation of the exchange-correlation kernel, i.e., without employing the fitted electron densities. Overall good agreement between both methods was observed, though the new approach tends to give values by about 4%-5% higher than the reference method. On the average, the solution of the coupled perturbed equations with the new scheme is about 8.5 times faster compared to the reference method

Incorporation of coupled nonequilibrium chemistry into a two-dimensional nozzle code (SEAGULL)

Science.gov (United States)

Ratliff, A. W.

1979-01-01

A two-dimensional multiple shock nozzle code (SEAGULL) was extended to include the effects of finite rate chemistry. The basic code that treats multiple shocks and contact surfaces was fully coupled with a generalized finite rate chemistry and vibrational energy exchange package. The modified code retains all of the original SEAGULL features plus the capability to treat chemical and vibrational nonequilibrium reactions. Any chemical and/or vibrational energy exchange mechanism can be handled as long as thermodynamic data and rate constants are available for all participating species.

Uncertainties in constraining low-energy constants from {sup 3}H β decay

Energy Technology Data Exchange (ETDEWEB)

Klos, P.; Carbone, A.; Hebeler, K. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, ExtreMe Matter Institute EMMI, Darmstadt (Germany); Menendez, J. [University of Tokyo, Department of Physics, Tokyo (Japan); Schwenk, A. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, ExtreMe Matter Institute EMMI, Darmstadt (Germany); Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany)

2017-08-15

We discuss the uncertainties in constraining low-energy constants of chiral effective field theory from {sup 3}H β decay. The half-life is very precisely known, so that the Gamow-Teller matrix element has been used to fit the coupling c{sub D} of the axial-vector current to a short-range two-nucleon pair. Because the same coupling also describes the leading one-pion-exchange three-nucleon force, this in principle provides a very constraining fit, uncorrelated with the {sup 3}H binding energy fit used to constrain another low-energy coupling in three-nucleon forces. However, so far such {sup 3}H half-life fits have only been performed at a fixed cutoff value. We show that the cutoff dependence due to the regulators in the axial-vector two-body current can significantly affect the Gamow-Teller matrix elements and consequently also the extracted values for the c{sub D} coupling constant. The degree of the cutoff dependence is correlated with the softness of the employed NN interaction. As a result, present three-nucleon forces based on a fit to {sup 3}H β decay underestimate the uncertainty in c{sub D}. We explore a range of c{sub D} values that is compatible within cutoff variation with the experimental {sup 3}H half-life and estimate the resulting uncertainties for many-body systems by performing calculations of symmetric nuclear matter. (orig.)

Magnetic properties of exchange-coupled trilayers of amorphous rare-earth-cobalt alloys

International Nuclear Information System (INIS)

Wuechner, S.; Toussaint, J.C.; Voiron, J.

1997-01-01

From amorphous thin films from alloys of rare earths (Gd, Sm), yttrium or zirconium with cobalt we have prepared trilayers with very clean interfaces appropriate for the study of magnetic coupling. The sandwiches were typically Y-Co/Gd-Co/Y-Co and Sm-Co/X/Sm-Co ' (X=Gd-Co, Co-Zr, Co). The three individual layers are coupled magnetically by exchange interactions between cobalt moments throughout the entire sample. This coupling associated with the specific properties of the given alloy (magnetic moment, anisotropy, coercivity) leads to ferrimagnetic or ferromagnetic structures of the magnetization of adjacent layers and to novel magnetization processes. For systems consisting of magnetically hard external layers with different coercivities and a soft central layer (Sm-Co/X/Sm-Co ' , X=Gd-Co, Co-Zr), the influence of the central layer close-quote s thickness and type of the material on coupling and magnetization processes have been studied quantitatively. Numerical simulations using a one-dimensional model for describing the magnetization processes observed in sandwich systems fit the magnetization curves of these model systems particularly well. copyright 1997 The American Physical Society

Energy exchange in strongly coupled plasmas with electron drift

International Nuclear Information System (INIS)

Akbari-Moghanjoughi, M.; Ghorbanalilu, M.

2015-01-01

In this paper, the generalized viscoelastic collisional quantum hydrodynamic model is employed in order to investigate the linear dielectric response of a quantum plasma in the presence of strong electron-beam plasma interactions. The generalized Chandrasekhar's relativistic degeneracy pressure together with the electron-exchange and Coulomb interaction effects are taken into account in order to extend current research to a wide range of plasma number density relevant to big planetary cores and astrophysical compact objects. The previously calculated shear viscosity and the electron-ion collision frequencies are used for strongly coupled ion fluid. The effect of the electron-beam velocity on complex linear dielectric function is found to be profound. This effect is clearly interpreted in terms of the wave-particle interactions and their energy-exchange according to the sign of the imaginary dielectric function, which is closely related to the wave attenuation coefficient in plasmas. Such kinetic effect is also shown to be in close connection with the stopping power of a charged-particle beam in a quantum plasma. The effect of many independent plasma parameters, such as the ion charge-state, electron beam-velocity, and relativistic degeneracy, is shown to be significant on the growing/damping of plasma instability or energy loss/gain of the electron-beam

Multiphysics Numerical Modeling of a Fin and Tube Heat Exchanger

DEFF Research Database (Denmark)

Singh, Shobhana; Sørensen, Kim; Condra, Thomas Joseph

2015-01-01

In the present research work, a modeling effort to predict the performance of a liquid-gas type fin and tube heat exchanger design is made. Three dimensional (3D) steady state numerical model is developed using commercial software COMSOL Multiphysics based on finite element method (FEM......). For the purposes here, only gas flowing over the fin side is simulated assuming constant inner tube wall temperature. The study couples conjugate heat transfer mechanism with turbulent flow in order to describe the temperature and velocity profile. In addition, performance characteristics of the heat exchanger...... design in terms of heat transfer and pressure loss are determined by parameters such as overall heat transfer coefficient, Colburn j-factor, flow resistance factor, and efficiency index. The model provides useful insights necessary for optimization of heat exchanger design....

Role of an ultrathin platinum seed layer in antiferromagnet-based perpendicular exchange coupling and its electrical manipulation

Energy Technology Data Exchange (ETDEWEB)

Wang, Y.Y., E-mail: wangyy@buaa.edu.cn [Department of Physics, Beihang University, Beijing 100191 (China); Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Song, C., E-mail: songcheng@mail.tsinghua.edu.cn [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Zhang, J.Y. [Department of Physics, Beihang University, Beijing 100191 (China); Pan, F. [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China)

2017-04-15

The requirement for low-power consumption advances the development of antiferromagnetic (AFM) spintronics manipulated by electric fields. Here we report an electrical manipulation of metallic AFM moments within IrMn/[Co/Pt] by interface engineering, where ultrathin non-magnetic metals are highlighted between IrMn and ferroelectric substrates. Ultrathin Pt seed layers are proved to be vital in elevating the blocking temperature and enhancing the perpendicular exchange coupling through modulating the domain structures of as-prepared IrMn AFM. Further electrical manipulations of perpendicular magnetic anisotropy crucially verify the indispensable role of pre-deposited ultrathin Pt layers in modulating IrMn antiferromagnetic moments, which is confirmed by the intimate correlation between the electrically manipulating AFM and improving its blocking temperature. Instead of immediate contact between IrMn AFM and ferroelectric substrates in a conventional way, interface engineering by adopting ultrathin seed layers here adds a new twist to the electrical modulation of AFM metals. This would provide scientific basis on how to manipulate AFM moments and optimize the design of practical AFM spintronics. - Highlights: • An alternative for manipulating antiferromagnet by interface engineering is provided. • Ultrathin Pt seed layers are vital in elevating the blocking temperature of IrMn. • Perpendicular exchange coupling in IrMn/[Co/Pt] can be modulated by seed layers. • Ultrathin Pt seed layers enable electrical control of perpendicular exchange coupling.

Role of an ultrathin platinum seed layer in antiferromagnet-based perpendicular exchange coupling and its electrical manipulation

International Nuclear Information System (INIS)

Wang, Y.Y.; Song, C.; Zhang, J.Y.; Pan, F.

2017-01-01

The requirement for low-power consumption advances the development of antiferromagnetic (AFM) spintronics manipulated by electric fields. Here we report an electrical manipulation of metallic AFM moments within IrMn/[Co/Pt] by interface engineering, where ultrathin non-magnetic metals are highlighted between IrMn and ferroelectric substrates. Ultrathin Pt seed layers are proved to be vital in elevating the blocking temperature and enhancing the perpendicular exchange coupling through modulating the domain structures of as-prepared IrMn AFM. Further electrical manipulations of perpendicular magnetic anisotropy crucially verify the indispensable role of pre-deposited ultrathin Pt layers in modulating IrMn antiferromagnetic moments, which is confirmed by the intimate correlation between the electrically manipulating AFM and improving its blocking temperature. Instead of immediate contact between IrMn AFM and ferroelectric substrates in a conventional way, interface engineering by adopting ultrathin seed layers here adds a new twist to the electrical modulation of AFM metals. This would provide scientific basis on how to manipulate AFM moments and optimize the design of practical AFM spintronics. - Highlights: • An alternative for manipulating antiferromagnet by interface engineering is provided. • Ultrathin Pt seed layers are vital in elevating the blocking temperature of IrMn. • Perpendicular exchange coupling in IrMn/[Co/Pt] can be modulated by seed layers. • Ultrathin Pt seed layers enable electrical control of perpendicular exchange coupling.

Exchange bias coupling in NiO/Ni bilayer tubular nanostructures synthetized by electrodeposition and thermal oxidation

Energy Technology Data Exchange (ETDEWEB)

Yu, T., E-mail: work_tian@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Zhang, Z.W.; Xu, Y.H. [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Liu, Y. [Analytical & Testing Center, Sichuan University, Chengdu 610064 (China); Li, W.J. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190 (China); Nie, Y.; Zhang, X. [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Xiang, G., E-mail: gxiang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China)

2017-05-01

In this paper, we reported the synthesis of NiO/Ni bilayer nanotubes by electrodeposition and thermal oxidation using anodic aluminum oxide templates. The morphology, structure, chemical composition and magnetic properties, especially magnetic exchange bias induced by subsequent magnetic field cooling, in this one-dimensional antiferromagnetic/ferromagnetic hybrid system were investigated. It was found that the effect of the annealing temperature, which mainly dominated the thickness of the NiO layer, and the annealing time, which mainly dominated the grain size of the NiO, on the exchange bias field showed competitive relationship. The optimized exchange bias field was achieved by the combination of the shorter annealing time and higher annealing temperature. - Highlights: • NiO-Ni bilayer tubular nanotubes were fabricated by electrodeposition and thermal oxidation. • The exchange bias effect in NiO-Ni nanotubes was induced by magnetic field cooling. • The competitive effect of annealing temperature and annealing time on the exchange bias coupling was analyzed.

Measurement of 2J(H,C)- and 3J(H,C)-coupling constants by α/β selective HC(C)H-TOCSY

International Nuclear Information System (INIS)

Duchardt, Elke; Richter, Christian; Reif, Bernd; Glaser, Steffen J.; Engels, Joachim W.; Griesinger, Christian; Schwalbe, Harald

2001-01-01

A new heteronuclear NMR pulse sequence for the measurement of n J(C,H) coupling constants, the α/βselective HC(C)H-TOCSY, is described. It is shown that the S 3 E element (Meissner et al., 1997a,b) can be used to obtain spin state selective coherence transfer in molecules, in which adjacent CH moieties are labeled with 13 C. Application of the α/β selective HC(C)H-TOCSY to a 10nt RNA tetraloop 5'-CGCUUUUGCG-3', in which the four uridine residues are 13 C labeled in the sugar moiety, allowed measurement of two bond and three bond J(C,H) coupling constants, which provide additional restraints to characterize the sugar ring conformation of RNA in cases of conformational averaging

Orbital classical solutions, non-perturbative phenomena and singularity at the zero coupling constant point

International Nuclear Information System (INIS)

Vourdas, A.

1982-01-01

We try to extend previous arguments on orbital classical solutions in non-relativistic quantum mechanics to the 1/4lambda vertical stroke phi vertical stroke 4 complex relativistic field theory. The single valuedness of the Green function in the semiclassical (Planksche Konstante → 0) limit leads to a Bohr-Sommerfeld quantization. A path integral formalism for the Green functions analogous to that in non-relativistic quantum mechanics is employed and a semiclassical approach which uses our classical solutions indicates non-perturbative effects. They reflect an esub(1/lambda) singularity at the zero coupling constant point. (orig.)

Time-reversal invariance in multiple collisions between coupled masses

International Nuclear Information System (INIS)

Crawford, F.S.

1989-01-01

The time evolution of two mechanical oscillators coupled by a spring can (but need not) exhibit an instant t = 2t' when the initial conditions at t = 0 have been exactly restored. When that is the case, then at t = t' energy and momentum have been exchanged exactly as in an elastic collision between two free particles, and the evolution of the system from t = t' to 2t' is related to that from 0 to t' by time-reversal invariance. A similar ''simulation of elastic scattering'' at t = t' can occur for two free particles coupled via collisions with an intermediary mass that bounces back and forth between the two particles provided the intermediary is left at rest at t = t'. Examined here is the time evolution of the exchange of momentum and energy for these two examples, determining the values of the coupling spring constant (or mass value) of the intermediating spring (or mass) needed to simulate single elastic scattering between free particles, and looking at the manifestation of time-reversal invariance

Radiative muon capture and renormalization of the induced pseudoscalar coupling constant in nuclei

International Nuclear Information System (INIS)

Hasinoff, M.D.; Armstrong, D.S.; Azuelos, G.

1992-08-01

Radiative Muon Capture (RMC), μ - Z → ν μ (Z - 1)γ, is a weak semi-leptonic process which is particularly sensitive to the induced pseudoscalar coupling constant, g p , of the weak hadronic current. After a brief introduction and review of the general theoretical background relevant to RMC, the most recent data from TRIUMF and PSI are presented and compared to the latest theoretical calculations. The extracted g p values are compared to the PCAC prediction for RMC on a free proton to determine whether or not there is any significant renormalization of g p inside the nuclear medium. A progress report on the TRIUMF RMC experiment on hydrogen is also presented. refs., 12 figs., 3 tabs

Inverse Scattering, the Coupling Constant Spectrum, and the Riemann Hypothesis

International Nuclear Information System (INIS)

Khuri, N. N.

2002-01-01

It is well known that the s-wave Jost function for a potential, λV, is an entire function of λ with an infinite number of zeros extending to infinity. For a repulsive V, and at zero energy, these zeros of the 'coupling constant', λ, will all be real and negative, λ n (0) n n =1/2+iγ n . Thus, finding a repulsive V whose coupling constant spectrum coincides with the Riemann zeros will establish the Riemann hypothesis, but this will be a very difficult and unguided search.In this paper we make a significant enlargement of the class of potentials needed for a generalization of the above idea. We also make this new class amenable to construction via inverse scattering methods. We show that all one needs is a one parameter class of potentials, U(s;x), which are analytic in the strip, 0≤Res≤1, Ims>T 0 , and in addition have an asymptotic expansion in powers of [s(s-1)] -1 , i.e. U(s;x)=V 0 (x)+gV 1 (x)+g 2 V 2 (x)+...+O(g N ), with g=[s(s-1)] -1 . The potentials V n (x) are real and summable. Under suitable conditions on the V n 's and the O(g N ) term we show that the condition, ∫ 0 ∞ vertical bar f 0 (x) vertical bar 2 V 1 (x) dx≠0, where f 0 is the zero energy and g=0 Jost function for U, is sufficient to guarantee that the zeros g n are real and, hence, s n =1/2+iγ n , for γ n ≥T 0 .Starting with a judiciously chosen Jost function, M(s,k), which is constructed such that M(s,0) is Riemann's ξ(s) function, we have used inverse scattering methods to actually construct a U(s;x) with the above properties. By necessity, we had to generalize inverse methods to deal with complex potentials and a nonunitary S-matrix. This we have done at least for the special cases under consideration.For our specific example, ∫ 0 ∞ vertical bar f 0 (x) vertical bar 2 V 1 (x) dx=0 and, hence, we get no restriction on Img n or Res n . The reasons for the vanishing of the above integral are given, and they give us hints on what one needs to proceed further. The problem

Critical fields of an exchange coupled two-layer composite particle

International Nuclear Information System (INIS)

Goll, D.; Kronmueller, H.

2008-01-01

High-density recording systems require magnetic bits with perpendicular easy axis and large magnetocrystalline anisotropy to guarantee thermal stability. However, the large magnetic fields up to 10 T for the reversal of magnetization cannot be afforded by conventional write heads. Therefore, composite exchange coupled spring systems of soft and hard magnetic layers may be used to reduce the switching field. In this case the reversal of magnetization in general takes place in two steps: a nucleation process in the soft layer and a depinning process for the displacement of the domain wall at the phase boundary of the soft and the hard magnetic layer. The nucleation and depinning fields are determined on the basis of the continuum theory of micromagnetism. It is shown that the nucleation fields decrease according to a 1/L 2 law with increasing thickness L of the soft layer and the depinning field of the charged Neel wall may be reduced by factors of 3-6 in comparison with the ideal nucleation field of the hard magnetic phase. One-step rectangular hysteresis loops are obtained for thicknesses of the soft layer smaller than the exchange length of the magnetostatic field

The thermal stability of magnetically exchange coupled MnBi/FeCo composites at electric motor working temperature

Science.gov (United States)

Cheng, Ye; Wang, Hongying; Li, Zhigang; Liu, Wanhui; Bao, Ilian

2018-04-01

The magnetically exchange coupled MnBi/FeCo composites were synthesized through a magnetic self-assembly process. The MnBi/FeCo composites were then hot pressed in a magnetic field to form magnets. The thermal stability of the magnets were tested by annealing at electric motor working temperature of 200 °C for 20, 40 and 60 h, respectively. It was found that after heating for 20 h, there was negligible change in its hysteresis loop. However, when the heating time was increased 40 and 60 h, the magnetic hysteresis loops presented two-phase magnetic behaviors, and the maximum energy products of the magnet were decreased. This research showed that the magnetically exchange coupled MnBi/FeCo composites had low thermal stability at electric motor working temperature.

The determination of the weak neutral current coupling constants and limits on the electromagnetic properties of the muon neutrino

International Nuclear Information System (INIS)

Callas, J.L.

1987-05-01

The goal of this thesis is to determine experimentally the cross section for nu/sub μ/e → nu/sub μ/e scattering from a sample of over 100 expected nu/sub μ/e → nu/sub μ/e events collected by the E734 neutrino detector in BNL wide band neutrino beam. By combining these results with results from an anti-neutrino determination of the cross section for anti nu/sub μ/e → anti nu/sub μ/e scattering in the form of a ratio of cross sections, the weak coupling constants for the electron, g/sub V/ and g/sub A/ can be determined in a model independent way to within a four fold ambiguity where three of the ambiguities can be eliminated by results from e + e - experiments. The predictions of the Standard Model for the weak coupling constants can then be tested and a precise determination of the electroweak mixing parameter, sin 2 θ/sub W/ can be made

Use of the cation exchange equilibrium method for the determination of stability constants of Co(II) with soil humic and fulvic acids

International Nuclear Information System (INIS)

Du, J.Z.; Zhou, C.Y.; Dong, W.M.; Tao, Z.Y.

1999-01-01

The stability constants for tracer concentrations of Co(II) complexes with both the red earth humic and fulvic acids were determined at pH 5.9 and ionic strength 0.010 mol/l by using the ARDAKANI-STEVENSON cation exchange equilibrium method and the radiotracer 60 Co. It was found that the 1:1 complexes of Co(II) with the red earth humic and fulvic acids were formed and that the average values of logβ (stability constant) of humic and fulvic acid complexes were 5.76±0.19 and 4.42±0.03, respectively. (author)

Exchange-coupled nanoscale SmCo/NdFeB hybrid magnets

Energy Technology Data Exchange (ETDEWEB)

Wang, Dapeng; Poudyal, Narayan; Rong, Chuanbing; Zhang, Ying; Kramer, Matthew J.; Liu, J. Ping

2012-05-11

Nanoscalehybridmagnets containing SmCo5 and Nd2Fe14B hard magnetic phases have been produced via a novel “in-one-pot” processing route. The grain size of the processed bulk composite materials is controlled below 20 nm. The refinement of the nanoscale morphology leads to effective inter-phase exchange coupling that results in single-phase like magnetic properties. Energy product of 14 MGOe was obtained in the isotropic nanocomposite magnets at room temperature. At elevated temperatures, the hybridmagnets have greatly improved thermal stability compared to the Nd2Fe14B single-phase counterpart and have substantially increased magnetization and energy products compared to the single-phase SmCo5 counterpart.

On the calculation of {sup 3}J{sub {alpha}{beta}}-coupling constants for side chains in proteins

Energy Technology Data Exchange (ETDEWEB)

Steiner, Denise [Swiss Federal Institute of Technology, Laboratory of Physical Chemistry, ETH (Switzerland); Allison, Jane R. [Massey University Albany, Centre for Theoretical Chemistry and Physics, Institute for Natural Sciences (New Zealand); Eichenberger, Andreas P.; Gunsteren, Wilfred F. van, E-mail: wfvgn@igc.phys.chem.ethz.ch [Swiss Federal Institute of Technology, Laboratory of Physical Chemistry, ETH (Switzerland)

2012-07-15

Structural knowledge about proteins is mainly derived from values of observables, measurable in NMR spectroscopic or X-ray diffraction experiments, i.e. absorbed or scattered intensities, through theoretically derived relationships between structural quantities such as atom positions or torsional angles on the one hand and observable quantities such as squared structure factor amplitudes, NOE intensities or {sup 3}J-coupling constants on the other. The standardly used relation connecting {sup 3}J-couplings to torsional angles is the Karplus relation, which is used in protein structure refinement as well as in the evaluation of simulated properties of proteins. The accuracy of the simple and generalised Karplus relations is investigated using side-chain structural and {sup 3}J{sub {alpha}{beta}}-coupling data for three different proteins, Plastocyanin, Lysozyme, and FKBP, for which such data are available. The results show that the widely used Karplus relations are only a rough estimate for the relation between {sup 3}J{sub {alpha}{beta}}-couplings and the corresponding {chi}{sub 1}-angle in proteins.

Coupled carbon-water exchange of the Amazon rain forest. I. Model description, parameterization and sensitivity analysis

NARCIS (Netherlands)

Simon, E.; Meixner, F.X.; Ganzeveld, L.N.; Kesselmeier, J.

2005-01-01

Detailed one-dimensional multilayer biosphere-atmosphere models, also referred to as CANVEG models, are used for more than a decade to describe coupled water-carbon exchange between the terrestrial vegetation and the lower atmosphere. Within the present study, a modified CANVEG scheme is described.

The Cosmological Constant and Domain Walls in Orientifold Field Theories and N=1 Gluodynamics

CERN Document Server

Armoni, Adi

2003-01-01

We discuss domain walls and vacuum energy density (cosmological constant) in N=1 gluodynamics and in non-supersymmetric large N orientifold field theories which have been recently shown to be planar equivalent (in the boson sector) to N=1 gluodynamics. A relation between the vanishing force between two parallel walls and vanishing cosmological constant is pointed out. This relation may explain why the cosmological constant vanishes in the orientifold field theory at leading order although the hadronic spectrum of this theory does not contain fermions in the limit N-->infinity. The cancellation is among even and odd parity bosonic contributions, due to NS-NS and R-R cancellations in the annulus amplitude of the underlying string theory. We use the open-closed string channel duality to describe interaction between the domain walls which is interpreted as the exchange of composite ``dilatons'' and ``axions'' coupled to the walls. Finally, we study some planar equivalent pairs in which both theories in the parent...

On the Convergence of the ccJ-pVXZ and pcJ-n Basis Sets in CCSD Calculations of Nuclear Spin-Spin Coupling Constants

DEFF Research Database (Denmark)

Faber, Rasmus; Sauer, Stephan P. A.

2018-01-01

The basis set convergence of nuclear spin-spin coupling constants (SSCC) calculated at the coupled cluster singles and doubles (CCSD) level has been investigated for ten difficult molecules. Eight of the molecules contain fluorine atoms and nine contain double or triple bonds. Results obtained...

Electron-muon puzzle and the electromagnetic coupling constant

International Nuclear Information System (INIS)

Jehle, H.

1977-01-01

On the basis of a heuristic model we argued in an earlier paper (paper C of this series) electric field (and of course the magnetic field, too) of a lepton or of a quark may be formulated in terms of a closed loop of quantized magnetic flux whose alternative forms (''loopforms'') are superposed with probability amplitudes so as to represent the electromagnetic field of that lepton or quark. The Zitterbewegung of a single stationary (''elementary'') particle suggests a kind of quasiextension, which is assumed, in the present theory, to permit concepts of structuralization of the electromagnetic field even for leptons. Mesons and baryons may be represented by linked quantized flux loops, i.e., quark loops (as in paper B). The central problem now (in this paper D) is to formulate those probability-amplitude distributions in terms of wave functions to characterize the internal structure of the lepton or quark in question. As probability-amplitude functions one may choose bases of irreducible representations of the group with respect to which the model is to be invariant. It is seen that this implies the SO(4) group. As both the electron-muon mass ratio and the electromagnetic coupling constant depend, in this flux-quantization model, on the correct formulation of the structuralization of probability-amplitude distributions, we should expect to get an insight into both these puzzles from finding the right probability-amplitude wave functions. Furthermore, it is seen that this same structuralization of probability-amplitude distributions also permits one to estimate the rate of weak interactions, thus relating them to electromagnetic interactions

Vicinal 1H-1H NMR coupling constants from density functional theory as reliable tools for stereochemical analysis of highly flexible multichiral center molecules.

Science.gov (United States)

López-Vallejo, Fabian; Fragoso-Serrano, Mabel; Suárez-Ortiz, Gloria Alejandra; Hernández-Rojas, Adriana C; Cerda-García-Rojas, Carlos M; Pereda-Miranda, Rogelio

2011-08-05

A protocol for stereochemical analysis, based on the systematic comparison between theoretical and experimental vicinal (1)H-(1)H NMR coupling constants, was developed and applied to a series of flexible compounds (1-8) derived from the 6-heptenyl-5,6-dihydro-2H-pyran-2-one framework. The method included a broad conformational search, followed by geometry optimization at the DFT B3LYP/DGDZVP level, calculation of the vibrational frequencies, thermochemical parameters, magnetic shielding tensors, and the total NMR spin-spin coupling constants. Three scaling factors, depending on the carbon atom hybridizations, were found for the (1)H-C-C-(1)H vicinal coupling constants: f((sp3)-(sp3)) = 0.910, f((sp3)-(sp2)) = 0.929, and f((sp2)-(sp2))= 0.977. A remarkable correlation between the theoretical (J(pre)) and experimental (1)H-(1)H NMR (J(exp)) coupling constants for spicigerolide (1), a cytotoxic natural product, and some of its synthetic stereoisomers (2-4) demonstrated the predictive value of this approach for the stereochemical assignment of highly flexible compounds containing multiple chiral centers. The stereochemistry of two natural 6-heptenyl-5,6-dihydro-2H-pyran-2-ones (14 and 15) containing diverse functional groups in the heptenyl side chain was also analyzed by application of this combined theoretical and experimental approach, confirming its reliability. Additionally, a geometrical analysis for the conformations of 1-8 revealed that weak hydrogen bonds substantially guide the conformational behavior of the tetraacyloxy-6-heptenyl-2H-pyran-2-ones.

Communication: Localized molecular orbital analysis of the effect of electron correlation on the anomalous isotope effect in the NMR spin-spin coupling constant in methane

Energy Technology Data Exchange (ETDEWEB)

Zarycz, M. Natalia C., E-mail: mnzarycz@gmail.com; Provasi, Patricio F., E-mail: patricio@unne.edu.ar [Department of Physics, University of Northeastern - CONICET, Av. Libertad 5500, Corrientes W3404AAS (Argentina); Sauer, Stephan P. A., E-mail: sauer@kiku.dk [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

2014-10-21

We discuss the effect of electron correlation on the unexpected differential sensitivity (UDS) in the {sup 1}J(C–H) coupling constant of CH{sub 4} using a decomposition into contributions from localized molecular orbitals and compare with the {sup 1}J(N–H) coupling constant in NH{sub 3}. In particular, we discuss the well known fact that uncorrelated coupled Hartree-Fock (CHF) calculations are not able to reproduce the UDS in methane. For this purpose we have implemented for the first time a localized molecular orbital analysis for the second order polarization propagator approximation with coupled cluster singles and doubles amplitudes—SOPPA(CCSD) in the DALTON program. Comparing the changes in the localized orbital contributions at the correlated SOPPA and SOPPA(CCSD) levels and at the uncorrelated CHF level, we find that the latter overestimates the effect of stretching the bond between the coupled atoms on the contribution to the coupling from the localized bonding orbital between these atoms. This disturbs the subtle balance between the molecular orbital contributions, which lead to the UDS in methane.

Exchange Interactions on the Highest-Spin Reported Molecule: the Mixed-Valence Fe42 Complex

Science.gov (United States)

Aravena, Daniel; Venegas-Yazigi, Diego; Ruiz, Eliseo

2016-04-01

The finding of high-spin molecules that could behave as conventional magnets has been one of the main challenges in Molecular Magnetism. Here, the exchange interactions, present in the highest-spin molecule published in the literature, Fe42, have been analysed using theoretical methods based on Density Functional Theory. The system with a total spin value S = 45 is formed by 42 iron centres containing 18 high-spin FeIII ferromagnetically coupled and 24 diamagnetic low-spin FeII ions. The bridging ligands between the two paramagnetic centres are two cyanide ligands coordinated to the diamagnetic FeII cations. Calculations were performed using either small Fe4 or Fe3 models or the whole Fe42 complex, showing the presence of two different ferromagnetic couplings between the paramagnetic FeIII centres. Finally, Quantum Monte Carlo simulations for the whole system were carried out in order to compare the experimental and simulated magnetic susceptibility curves from the calculated exchange coupling constants with the experimental one. This comparison allows for the evaluation of the accuracy of different exchange-correlation functionals to reproduce such magnetic properties.

Determination of the pion-nucleon coupling constant and scattering lengths

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Thomas, A.W.

2002-01-01

We critically evaluate the isovector Goldberger-Miyazawa-Oehme (GMO) sum rule for forward πN scattering using the recent precision measurements of π - p and π - d scattering lengths from pionic atoms. We deduce the charged-pion-nucleon coupling constant, with careful attention to systematic and statistical uncertainties. This determination gives, directly from data, g c 2 (GMO)/4π=14.11±0.05(statistical)±0.19(systematic) or f c 2 /4π=0.0783(11). This value is intermediate between that of indirect methods and the direct determination from backward np differential scattering cross sections. We also use the pionic atom data to deduce the coherent symmetric and antisymmetric sums of the pion-proton and pion-neutron scattering lengths with high precision, namely, (a π - p +a π - n )/2=[-12±2(statistical)±8(systematic)]x10 -4 m π -1 and (a π - p -a π - n )/2=[895±3(statistical)±13 (systematic)]x10 -4 m π -1 . For the need of the present analysis, we improve the theoretical description of the pion-deuteron scattering length

Bardeen-Cooper-Schrieffer universal constants generalized

International Nuclear Information System (INIS)

Hazaimeh, A.H.

1992-01-01

Weak- and moderate-coupling BCS superconductivity theory is shown to admit a more general T c formula, wherein T c approaches zero somewhat faster than with the familiar BCS T c -formula. This theory leads to a departure from the universal behavior of the gap-to-T c ratio and is consistent with some recent empirical values for exotic superconductors. This ratio is smaller than the universal BCS value of 3.53 in a way which is consistent with weak electron-boson coupling. Similarly, other universal constants related to specific heat and critical magnetic field are modified. In this dissertation, The author investigates the latter constants for weak-coupling and moderate-coupling and carry out detailed comparisons with experimental data for the cuprates and with the corresponding predictions of strong-coupling theory. This effort is to elucidate the nature of these superconductors with regards to coupling strength within an electron-boson mechanism

Coupled granular/continuous medium for thermally stable perpendicular magnetic recording

International Nuclear Information System (INIS)

Sonobe, Y.; Weller, D.; Ikeda, Y.; Takano, K.; Schabes, M.E.; Zeltzer, G.; Do, H.; Yen, B.K.; Best, M.E.

2001-01-01

We studied coupled granular/continuous (CGC) perpendicular media consisting of a continuous multilayer structure and a granular layer. The addition of Co/Pt multilayers decreased the nucleation field from 200 to -1800 Oe and increased the squareness from 0.9 to 1.0. The moment decay at room temperature was significantly reduced from -4.8% to -0.05% per decade. At elevated temperatures, strong exchange coupling between a granular layer and a continuous layer is needed for thermal stability. The exchange-coupled continuous layer reduces thermal demagnetization as it effectively increases the grain size, tightens the grain distribution, and prevents the reversal of individual grains. Magnetic Force Microscope image showed a larger magnetic cluster size for the CGC structure. Compared to the CoCr 18 Pt 12 medium, the CGC medium had 2.3 dB higher output. However, the noise for the CGC medium increased with the recording density, while the noise for the CoCr 18 Pt 12 medium remained constant from 4 to 15 kfc/mm. Further optimization and noise reduction are still required for future high density recording

Coupled granular/continuous medium for thermally stable perpendicular magnetic recording

Science.gov (United States)

Sonobe, Y.; Weller, D.; Ikeda, Y.; Takano, K.; Schabes, M. E.; Zeltzer, G.; Do, H.; Yen, B. K.; Best, M. E.

2001-10-01

We studied coupled granular/continuous (CGC) perpendicular media consisting of a continuous multilayer structure and a granular layer. The addition of Co/Pt multilayers decreased the nucleation field from 200 to -1800 Oe and increased the squareness from 0.9 to 1.0. The moment decay at room temperature was significantly reduced from -4.8% to -0.05% per decade. At elevated temperatures, strong exchange coupling between a granular layer and a continuous layer is needed for thermal stability. The exchange-coupled continuous layer reduces thermal demagnetization as it effectively increases the grain size, tightens the grain distribution, and prevents the reversal of individual grains. Magnetic Force Microscope image showed a larger magnetic cluster size for the CGC structure. Compared to the CoCr 18Pt 12 medium, the CGC medium had 2.3 dB higher output. However, the noise for the CGC medium increased with the recording density, while the noise for the CoCr 18Pt 12 medium remained constant from 4 to 15 kfc/mm. Further optimization and noise reduction are still required for future high density recording.

The BFKL Pomeron with running coupling constant: how much of its hard nature survives?

International Nuclear Information System (INIS)

Haakman, L.P.A.; Kancheli, O.V.; Koch, J.H.

1998-01-01

We discuss the BFKL equation with a running gauge coupling and identify in its solutions the contributions originating from different transverse momentum scales. We show that for a running coupling constant the distribution of the gluons making up the BFKL pomeron shifts to smaller transverse momenta so that the dominant part of pomeron can have a non-perturbative origin. It is demonstrated how this soft physics enters into the BFKL solution through the boundary condition. We consider twokinematical regimes leading to different behaviour of the rapidity andtransverse momentum dependence of the gluon distribution. In the diffusion approximation to the BFKL kernel with running α s , we find a sequence of poles which replaces the cut for fixed α s . The second regime corresponds to the singular part of the kernel, which gives the dominant contribution in the limit of very large transverse momenta. Finally, a simple more general picture is obtained for the QCD pomeron in hard processes: it is of soft, non-perturbative nature, but has hard ends of DGLAP type. (orig.)

Magnetic stability in exchange-spring and exchange bias systems after multiple switching cycles.

Energy Technology Data Exchange (ETDEWEB)

Jiang, J. S.; Inomata, A.; You, C.-Y.; Pearson, J. E.; Bader, S. D.

2001-06-01

We have studied the magnetic stability in exchange bias and exchange spring systems prepared via epitaxial sputter deposition. The two interfacial exchange coupled systems, Fe/Cr(211) double superlattices consisting of a ferromagnetic and an antiferromagnetic Fe/Cr superlattice that are exchange coupled through a Cr spacer, and Sin-Co/Fe exchange-spring bilayer structures with ferromagnetically coupled hard Sin-Co layer and soft Fe layer, were epitaxially grown on suitably prepared Cr buffer layers to give rise to different microstructure and magnetic anisotropy. The magnetic stability was investigated using the magneto-optic Kerr effect during repeated reversal of the soft layer magnetization by field cycling up to 10{sup 7} times. For uniaxial Fe/Cr exchange biased double superlattices and exchange spring bilayers with uniaxial Sin-Co, small but rapid initial decay in the exchange bias field HE and in the remanent magnetization is observed. However, the exchange spring bilayers with biaxial and random in-plane anisotropy in the Sin-Co layer shows gradual decay in H{sub E} and without large reduction of the magnetization. The different decay behaviors are attributed to the different microstructure and spin configuration of the pinning layers.

Magnetization reversal dynamics in exchange-coupled NiO - Co bilayers

International Nuclear Information System (INIS)

Camarero, J.; Pennec, Y.; Bonfim, M.; Vogel, J.; Pizzini, S.; Fontaine, A.; Cartier, M.; Fettar, F.; Dieny, B.

2001-01-01

We performed a detailed study of the magnetization reversal in polycrystalline exchange-coupled NiO/Co bilayers over 10 decades of field sweep rate dH/dt for different NiO and Co thicknesses. For all sweep rates and thicknesses, the symmetry of the hysteresis loops shows that an identical pinning strength has to be overcome in both directions of the reversal. At low dH/dt the reversal is governed by domain wall displacement while domain nucleation is dominant at higher ones. The dH/dt at which the transition between the two regimes takes place depends on the relative thickness of the NiO and Co layers. It increases (decreases) when the Co (NiO) thickness is increased. Experimentally, it was found that the energy barrier varies linearly with the square root of the area corresponding to the activation (Barkhausen) volume which is consistent with a random walk model of the coupling between antiferromagnetic and ferromagnetic layers. The results can be explained in terms of a thermally activated switching of the NiO magnetization dragged by the Co reversal. [copyright] 2001 American Institute of Physics

Effect of the nitrogen unshared electron pair on the direct /sup 13/C-/sup 13/C spin-spin coupling constant of a neighboring bond in oximes

Energy Technology Data Exchange (ETDEWEB)

Shcherbakov, V.V.; Krivdin, L.B.; Kalabin, G.A.; Trofimov, B.A.

1986-11-20

The authors have previously established that the direct /sup 13/C-/sup 13/C coupling constants are stereospecific relative to the orientation of unshared electron pairs (UEP) of nitrogen and oxygen atoms. Here they show that the nitrogen UEP produces a positive contribution to the direct /sup 13/C-/sup 13/C coupling constant of an adjacent syn-periplanar carbon-carbon bond and not to a negative contribution of the corresponding constant of the anti-periplanar bond. Thus, the observed effect is not a consequence of the interaction of the heteroatom UEP with the anti-bonding orbital of the adjacent anti-periplanar bond (n/sub o-o/* interaction) as in the case of anomeric and related effects.

Simulation and experiment on the thermal performance of U-vertical ground coupled heat exchanger

Energy Technology Data Exchange (ETDEWEB)

Li, Xinguo; Chen, Zhihao; Zhao, Jun [Department of Thermal Engineering, School of Mechanical Engineering, Tianjin University, Tianjin 300072 (China)

2006-10-15

This paper presented both the numerical simulations and experiments on the thermal performance of U-vertical ground coupled heat exchanger (UGCHE). The variation of the ground temperature and heat balance of the system were analyzed and compared in different operation modes in the numerical simulation. Experiments on the operation performance of the ground-coupled heat pump (GCHP) with the UGCHE were carried out. It shows that the ground source can be used as the heat source/sink for GCHP systems to have higher efficiency in saving energy. To preserve the ground resource for the sustainable utilization as heat source/sink, the heat emitted to ground and heat extracted from ground should be balanced. (author)

Axial coupling constant of the nucleon for two flavours of dynamical quarks in finite and infinite volume

International Nuclear Information System (INIS)

Khan, A.A.; Goeckeler, M.; Haegler, P.

2006-03-01

We present data for the axial coupling constant g A of the nucleon obtained in lattice QCD with two degenerate flavours of dynamical non-perturbatively improved Wilson quarks. The renormalisation is also performed non-perturbatively. For the analysis we give a chiral extrapolation formula for g A based on the small scale expansion scheme of chiral effective field theory for two degenerate quark flavours. Applying this formalism in a finite volume we derive a formula that allows us to extrapolate our data simultaneously to the infinite volume and to the chiral limit. Using the additional lattice data in finite volume we are able to determine the axial coupling of the nucleon in the chiral limit without imposing the known value at the physical point. (Orig.)

Axial coupling constant of the nucleon for two flavours of dynamical quarks in finite and infinite volume

Energy Technology Data Exchange (ETDEWEB)

Khan, A.A.; Goeckeler, M. [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik; Haegler, P. [Technische Univ. Muenchen (DE). Physik-Department, Theoretische Physik] (and others)

2006-03-15

We present data for the axial coupling constant g{sub A} of the nucleon obtained in lattice QCD with two degenerate flavours of dynamical non-perturbatively improved Wilson quarks. The renormalisation is also performed non-perturbatively. For the analysis we give a chiral extrapolation formula for g{sub A} based on the small scale expansion scheme of chiral effective field theory for two degenerate quark flavours. Applying this formalism in a finite volume we derive a formula that allows us to extrapolate our data simultaneously to the infinite volume and to the chiral limit. Using the additional lattice data in finite volume we are able to determine the axial coupling of the nucleon in the chiral limit without imposing the known value at the physical point. (Orig.)

Evaluation of the strong coupling constant {alpha}{sub s} using the ATLAS inclusive jet cross-section data

Energy Technology Data Exchange (ETDEWEB)

Malaescu, B. [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Starovoitov, P. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2012-03-15

We perform a determination of the strong coupling constant using the latest ATLAS inclusive jet cross section data, from proton-proton collisions at {radical}(s)=7 TeV, and their full information on the bin-to-bin correlations. Several procedures for combining the statistical information from the different data inputs are studied and compared. The theoretical prediction is obtained using NLO QCD, and it also includes non-perturbative corrections. Our determination uses inputs with transverse momenta between 45 and 600 GeV, the running of the strong coupling being also tested in this range. Good agreement is observed when comparing our result with the world average at the Z-boson scale, as well as with the most recent results from the Tevatron. (orig.)

All-Silicon Switchable Magnetoelectric Effect through Interlayer Exchange Coupling.

Science.gov (United States)

Liu, Hang; Sun, Jia-Tao; Fu, Hui-Xia; Sun, Pei-Jie; Feng, Y P; Meng, Sheng

2017-07-19

The magnetoelectric (ME) effect originating from the effective coupling between electric field and magnetism is an exciting frontier in nanoscale science such as magnetic tunneling junction (MTJ), ferroelectric/piezoelectric heterojunctions etc. The realization of switchable ME effect under external electric field in d0 semiconducting materials of single composition is needed especially for all-silicon spintronics applications because of its natural compatibility with current industry. We employ density functional theory (DFT) to reveal that the pristine Si(111)-3×3 R30° (Si3 hereafter) reconstructed surfaces of thin films with a thickness smaller than eleven bilayers support a sizeable linear ME effect with switchable direction of magnetic moment under external electric field. This is achieved through the interlayer exchange coupling effect in the antiferromagnetic regime, where the spin-up and spin-down magnetized density is located on opposite surfaces of Si3 thin films. The obtained coefficient for the linear ME effect can be four times larger than that of ferromagnetic Fe films, which fail to have the reversal switching capabilities. The larger ME effect originates from the spin-dependent screening of the spin-polarized Dirac fermion. The prediction will promote the realization of well-controlled and switchable data storage in all-silicon electronics. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermal stability, thermal expansion and grain-growth in exchange-coupled Fe-Pt-Ag-B bulk nanocomposite magnets

International Nuclear Information System (INIS)

Nicula, R.; Crisan, O.; Crisan, A.D.; Mercioniu, I.; Stir, M.; Vasiliu, F.

2015-01-01

Highlights: • Formation of the L10 FePt hard-magnetic phase (>90%) directly in the as-cast state. • Specific alternating hard/soft nanostructure is stable to 600 °C without grain growth. • Anisotropic and non-linear thermal expansion effects. • The FePtAgB alloy behaves like a single magnetic phase (full exchange coupling). - Abstract: Rare-earth free (RE-free) exchange coupling nanocomposite magnets are intensively studied nowadays due to their potential use in applications demanding stable high-temperature operation and corrosion resistance. In this respect, the FePt alloy system is one of the most actively addressed potential permanent magnet solutions. In FePt alloys, promising magnetic features arise from the co-existence of hard magnetic L1 0 FePt and soft magnetic L1 2 Fe 3 Pt phases emerged from the same metastable precursor. The present work deals with an in-situ temperature-resolved synchrotron radiation study of the thermal stability, thermal expansion and microstructure evolution in exchange-coupled FePtAgB alloys. The as-cast microstructural state as well as the optimized magnetic behavior are given as reference and correlated to the observed microstructural evolution with temperature. The melt-spun Fe 48 Pt 28 Ag 6 B 18 alloy ribbons were examined in situ by synchrotron X-ray powder diffraction from ambient temperature up to 600 °C. The FePt-Fe 3 Pt exchange-coupled microstructure achieved by rapid solidification is not significantly altered during the high temperature exposure. The thermal expansion of the FePt L1 0 unit cell has been found to be strongly anisotropic, being essentially an in-plane expansion which may be seen as an anisotropic invar effect. For the FePt L1 0 phase, a significant deviation from linear thermal expansion is observed at the Curie temperature T C = 477 °C. This non-linear behavior above T C is tentatively linked to a diffusion/segregation mechanism of Ag. The promising hard magnetic properties as well as the

Theoretical study of annealed proton-exchanged Nd $LiNbO_{3}$ channel waveguide lasers with variational method

CERN Document Server

De Long Zhang; Yuan Guo Xie; Guilan, Ding; Yuming, Cui; Cai He Chen

2001-01-01

The controllable fabrication parameters, including anneal time, initial exchange time, channel width, dependences of TM/sub 00/ mode size, corresponding effective refractive index, effective pump area, and coupling efficiency between pump and laser modes in z-cut annealed proton-exchanged (APE) Nd:LiNbO/sub 3/ channel waveguide lasers were studied by using variational method. The effect of channel width on the surface index increment and the waveguide depth was taken into account. The features of mode size and effective refractive index were summarized, discussed, and compared with previously published experimental results. The effective pump area, which is directly proportional to threshold pump power, increases strongly, slightly, and very slightly with the increase of anneal time, channel width, and initial exchange time, respectively. However, the coupling efficiency, which is directly proportional to slope efficiency, remains constant (around 0.82) no matter what changes made to these parameters. The var...

The Coupling Effect Research of Ash Deposition and Condensation in Low Temperature Flue Gas

Directory of Open Access Journals (Sweden)

Lei Ma

2016-01-01

Full Text Available Ash deposition is a key factor that deteriorates the heat transfer performance and leads to higher energy consumption of low pressure economizer working in low temperature flue gas. In order to study the ash deposition of heat exchange tubes in low temperature flue gas, two experiments are carried out with different types of heat exchange tubes in different flue gas environments. In this paper, Nusselt Number Nu and fouling factor ε are calculated to describe the heat transfer characteristics so as to study the ash deposition condition. The scanning electron microscope (SEM is used for the analysis of ash samples obtained from the outer wall of heat exchange tubes. The dynamic process of ash deposition is studied under different temperatures of outer wall. The results showed that ash deposition of heat exchanger will achieve a stable state in constant flue gas environment. According to the condition of condensation of acid vapor and water vapor, the process of ash deposition can be distinguished as mere ash deposition, acid-ash coupling deposition, and acid-water-ash coupling deposition.

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

DEFF Research Database (Denmark)

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

2017-01-01

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

The ATLAS Measurements of Jet Production and the Strong Coupling Constant

CERN Document Server

Sawyer, Lee; The ATLAS collaboration

2017-01-01

The production of jets at hadron colliders provides a stringent test of perturbative QCD at the highest energies. The process can also be used to probe the gluon density in the parton distribution function of the proton. Specific topologies can be used to extract the strong coupling constant. The ATLAS collaboration has recently measured the inclusive jet production cross section in data collected at a center-of-mass energy of 8 TeV and 13 TeV. The measurements have been performed differentially in jet rapidity and transverse momentum. The collaboration also presents a first measurement of the dijet cross section at a center-of-mass energy of 13 TeV as a function of the dijet invariant mass and rapidity. The results have been compared with state-of-the-art theory predictions at NLO in pQCD, interfaced with different parton distribution functions and can be used to constrain the proton structure. We also present new measurements of transverse energy-energy correlations (TEEC) and their associated asymmetries (...

Constant-roll (quasi-)linear inflation

Science.gov (United States)

Karam, A.; Marzola, L.; Pappas, T.; Racioppi, A.; Tamvakis, K.

2018-05-01

In constant-roll inflation, the scalar field that drives the accelerated expansion of the Universe is rolling down its potential at a constant rate. Within this framework, we highlight the relations between the Hubble slow-roll parameters and the potential ones, studying in detail the case of a single-field Coleman-Weinberg model characterised by a non-minimal coupling of the inflaton to gravity. With respect to the exact constant-roll predictions, we find that assuming an approximate slow-roll behaviour yields a difference of Δ r = 0.001 in the tensor-to-scalar ratio prediction. Such a discrepancy is in principle testable by future satellite missions. As for the scalar spectral index ns, we find that the existing 2-σ bound constrains the value of the non-minimal coupling to ξphi ~ 0.29–0.31 in the model under consideration.

Exchange bias energy in Co/Pt/IrMn multilayers with perpendicular and in-plane anisotropy

Energy Technology Data Exchange (ETDEWEB)

Czapkiewicz, M. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland)]. E-mail: czapkiew@agh.edu.pl; Stobiecki, T. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland); Rak, R. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland); Zoladz, M. [Department of Electronics, AGH University of Science and Technology, 30-059 Cracow (Poland); Dijken, S. van [CRANN and School of Physics, Trinity College, Dublin 2 (Ireland)

2007-09-15

The magnetization reversal process in perpendicularly biased [Pt/Co]{sub 3}/d{sub Pt} Pt/IrMn and in-plane biased Co/d{sub Pt} Pt/IrMn multilayers with 0nm=exchange bias field decreases monotonically with Pt insertion layer thickness, while its coercivity remains constant. The samples with perpendicular magnetic anisotropy, on the other hand, exhibit maximum exchange bias and minimum coercivity for d{sub Pt}=0.1nm. In both cases, the existence of large exchange bias fields correlates with a high domain density during magnetization reversal. The interface exchange coupling energy is larger for the in-plane biased films than for the perpendicularly biased multilayers.

Ab initio calculations and experimental measurement of the deuterium quadrupole coupling constant in Na2PDO3

International Nuclear Information System (INIS)

Trudeau, J.D.; Schwartz, J.L.; Farrar, T.C.

1991-01-01

The deuterium quadrupole coupling constant, χ D , in the PDO 3 2- anion has been measured in solution by NMR spin-lattice (T 1 ) relaxation time measurements and it has been calculated via ab initio methods. The experimental value of 94.7 ± 0.5 kHz is in excellent agreement with the ab initio value of 95.0 kHz. The activation energy for the ion reorientation is 2.23 ± 0.01 kJ mol -1

Static magnetic susceptibility, crystal field and exchange interactions in rare earth titanate pyrochlores.

Science.gov (United States)

Malkin, B Z; Lummen, T T A; van Loosdrecht, P H M; Dhalenne, G; Zakirov, A R

2010-07-14

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R(2)Ti(2)O(7) (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the site and bulk susceptibilities of the pyrochlore lattice are derived taking into account long range dipole-dipole interactions and anisotropic exchange interactions between the nearest neighbor rare earth ions. The sets of crystal field parameters and anisotropic exchange coupling constants have been determined and their variations along the lanthanide series are discussed.

Wormholes and the cosmological constant problem.

Science.gov (United States)

Klebanov, I.

The author reviews the cosmological constant problem and the recently proposed wormhole mechanism for its solution. Summation over wormholes in the Euclidean path integral for gravity turns all the coupling parameters into dynamical variables, sampled from a probability distribution. A formal saddle point analysis results in a distribution with a sharp peak at the cosmological constant equal to zero, which appears to solve the cosmological constant problem. He discusses the instabilities of the gravitational Euclidean path integral and the difficulties with its interpretation. He presents an alternate formalism for baby universes, based on the "third quantization" of the Wheeler-De Witt equation. This approach is analyzed in a minisuperspace model for quantum gravity, where it reduces to simple quantum mechanics. Once again, the coupling parameters become dynamical. Unfortunately, the a priori probability distribution for the cosmological constant and other parameters is typically a smooth function, with no sharp peaks.

Controllable Interfacial Coupling Effects on the Magnetic Dynamic Properties of Perpendicular [Co/Ni]5/Cu/TbCo Composite Thin Films.

Science.gov (United States)

Tang, Minghong; Zhao, Bingcheng; Zhu, Weihua; Zhu, Zhendong; Jin, Q Y; Zhang, Zongzhi

2018-02-07

Dynamic magnetic properties in perpendicularly exchange-coupled [Co/Ni] 5 /Cu (t Cu = 0-2 nm)/TbCo structures show strong dependences on the interfacial antiferromagnetic strength J ex , which is controlled by the Cu interlayer thickness. The precession frequency f and effective damping constant α eff of a [Co/Ni] 5 multilayer differ distinctly for parallel (P) and antiparallel (AP) magnetization orientation states. For samples with a thin t Cu , f of the AP state is apparently higher, whereas α eff is lower than that in the P state, owing to the unidirectional exchange bias effect (H EB ) from the TbCo layer. The differences in f and α eff between the two states gradually decrease with increasing t Cu . By using a uniform precession model including an additional H EB term, the field-dependent frequency curves can be well-fitted, and the fitted H EB value is in good agreement with the experimental data. Moreover, the saturation damping constant α 0 displays a nearly linear correlation with J ex . It decreases significantly with J ex and eventually approaches a constant value of 0.027 at t Cu = 2 nm where J ex vanishes. These results provide a better understanding and effective control of magnetization dynamics in exchange-coupled composite structures for spintronic applications.

Noise Reduction Based on an Fe -Rh Interlayer in Exchange-Coupled Heat-Assisted Recording Media

Science.gov (United States)

Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter

2017-11-01

High storage density and high data rate are two of the most desired properties of modern hard disk drives. Heat-assisted magnetic recording (HAMR) is believed to achieve both. Recording media, consisting of exchange-coupled grains with a high and a low TC part, were shown to have low dc noise—but increased ac noise—compared to hard magnetic single-phase grains like FePt. We extensively investigate the influence of an Fe -Rh interlayer on the magnetic noise in exchange-coupled grains. We find an optimal grain design that reduces the jitter in the down-track direction by up to 30% and in the off-track direction by up to 50%, depending on the head velocity, compared to the same structures without FeRh. Furthermore, the mechanisms causing this jitter reduction are demonstrated. Additionally, we show that, for short heat pulses and low write temperatures, the switching-time distribution of the analyzed grain structure is reduced by a factor of 4 compared to the same structure without an Fe -Rh layer. This feature could be interesting for HAMR use with a pulsed laser spot and could encourage discussion of this HAMR technique.

Topological phase transition in anisotropic square-octagon lattice with spin-orbit coupling and exchange field

Science.gov (United States)

Yang, Yuan; Yang, Jian; Li, Xiaobing; Zhao, Yue

2018-03-01

We investigate the topological phase transitions in an anisotropic square-octagon lattice in the presence of spin-orbit coupling and exchange field. On the basis of the Chern number and spin Chern number, we find a number of topologically distinct phases with tuning the exchange field, including time-reversal-symmetry-broken quantum spin Hall phases, quantum anomalous Hall phases and a topologically trivial phase. Particularly, we observe a coexistent state of both the quantum spin Hall effect and quantum anomalous Hall effect. Besides, by adjusting the exchange filed, we find the phase transition from time-reversal-symmetry-broken quantum spin Hall phase to spin-imbalanced and spin-polarized quantum anomalous Hall phases, providing an opportunity for quantum spin manipulation. The bulk band gap closes when topological phase transitions occur between different topological phases. Furthermore, the energy and spin spectra of the edge states corresponding to different topological phases are consistent with the topological characterization based on the Chern and spin Chern numbers.

Magnetic short range order and the exchange coupling in magnets

International Nuclear Information System (INIS)

Antropov, V.P.

2006-01-01

We discuss our recent results of time-dependent density functional simulations of magnetic properties of Fe and Ni at finite temperatures. These results indicated that a strong magnetic short range order is responsible for the magnetic properties of elementary Ni and any itinerant magnet in general. We demonstrated that one can use the value of the magnetic short range order parameter to produce new quantitative classification of magnets. We also discuss the nature of the exchange coupling and its connection with the short range order. The spin-wave like propagating and diffusive excitations in paramagnetic localized systems with small short range order have been predicted while in the itinerant systems the short range order is more complicated. The possible smallness of the quantum factor in the itinerant magnets with short range order is discussed

Exchange-coupled Fe3O4/CoFe2O4 nanoparticles for advanced magnetic hyperthermia

Science.gov (United States)

Glassell, M.; Robles, J.; Das, R.; Phan, M. H.; Srikanth, H.

Iron oxide nanoparticles especially Fe3O4, γ-Fe2O3 have been extensively studied for magnetic hyperthermia because of their tunable magnetic properties and stable suspension in superparamagnetic regime. However, their relatively low heating capacity hindered practical application. Recently, a large improvement in heating efficiency has been reported in exchange-coupled nanoparticles with exchange coupling between soft and hard magnetic phases. Here, we systematically studied the effect of core and shell size on the heating efficiency of the Fe3O4/CoFe2O4 core/shell nanoparticles. The nanoparticles were synthesized using thermal decomposition of organometallic precursors. Transmission electron microscopy (TEM) showed formation of spherical shaped Fe3O4 and Fe3O-/CoFe2O4 nanoparticles. Magnetic measurements showed high magnetization (≅70 emu/g) and superparamagnetic behavior for the nanoparticles at room temperature. Magnetic hyperthermia results showed a large increase in specific absorption rate (SAR) for 8nm Fe3O4/CoFe2O4 compared to Fe3O4 nanoparticles of the same size. The heating efficiency of the Fe3O4/CoFe2O4 with 1 nm CoFe2O4 (shell) increased from 207 to 220 W/g (for 800 Oe) with increase in core size from 6 to 8 nm. The heating efficiency of the Fe3O4/CoFe2O4 with 2 nm CoFe2O4 (shell) and core size of 8 nm increased from 220 to 460 W/g (for 800 Oe). These exchange-coupled Fe3O4/CoFe2O4 core/shell nanoparticles can be a good candidate for advanced hyperthermia application.

Modeling and simulation of control system response to temperature disturbances in a coupled heat exchangers-AHTR system

International Nuclear Information System (INIS)

Skavdahl, I.; Utgikar, V.P.; Christensen, R.; Sabharwall, P.; Chen, M.; Sun, X.

2016-01-01

Highlights: • Control architecture defined for nuclear reactor-coupled heat exchangers system. • MATLAB code developed for simulation of system response for various temperature disturbances in the system. • Control system effective in maintaining controlled variables at desired set points. • New equilibrium steady state established using controllers. • Adaptive control system capable of switching manipulated variables based on system constraints. - Abstract: An effective control strategy is essential for maintaining optimum operational efficiency of the Advanced High Temperature Reactor (AHTR)-intermediate heat exchanger (IHX)-secondary heat exchanger (SHX) system for power conversion or process heat applications. A control system design is presented in this paper for the control of the coupled intermediate and secondary heat exchangers. The cold side outlet temperature of the SHX (T_c_o) and the hot side outlet temperature of the IHX (T_h_o_2) were identified as the controlled variables that were maintained at their set points by manipulating the flow rates of heat exchange media. Transfer functions describing the relationships between the controlled variables and the manipulated and load variables were developed and the system response to various temperature disturbances was simulated using a custom-developed MATLAB program. It was found that a step disturbance of ±10 °C in the process loop changed the thermal duty by ±650 kW, equal to 6.5% of the initial duty. Similar disturbances in the primary loop had a higher impact on the system. The control system design included a provision for the switching of manipulated variables to limit the adjustment in the magnitudes of the primary manipulated variables. Simulation results indicate that the controlled variables are maintained successfully at their desired points by the control system.

Modeling and simulation of control system response to temperature disturbances in a coupled heat exchangers-AHTR system

Energy Technology Data Exchange (ETDEWEB)

Skavdahl, I. [Department of Chemical and Materials Engineering, University of Idaho, Moscow, ID 83844 (United States); Utgikar, V.P., E-mail: vutgikar@uidaho.edu [Department of Chemical and Materials Engineering, University of Idaho, Moscow, ID 83844 (United States); Christensen, R. [Nuclear Engineering Program, University of Idaho, Idaho Falls, ID 83402 (United States); Sabharwall, P. [Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Chen, M.; Sun, X. [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, OH 43210 (United States)

2016-04-15

Highlights: • Control architecture defined for nuclear reactor-coupled heat exchangers system. • MATLAB code developed for simulation of system response for various temperature disturbances in the system. • Control system effective in maintaining controlled variables at desired set points. • New equilibrium steady state established using controllers. • Adaptive control system capable of switching manipulated variables based on system constraints. - Abstract: An effective control strategy is essential for maintaining optimum operational efficiency of the Advanced High Temperature Reactor (AHTR)-intermediate heat exchanger (IHX)-secondary heat exchanger (SHX) system for power conversion or process heat applications. A control system design is presented in this paper for the control of the coupled intermediate and secondary heat exchangers. The cold side outlet temperature of the SHX (T{sub co}) and the hot side outlet temperature of the IHX (T{sub ho2}) were identified as the controlled variables that were maintained at their set points by manipulating the flow rates of heat exchange media. Transfer functions describing the relationships between the controlled variables and the manipulated and load variables were developed and the system response to various temperature disturbances was simulated using a custom-developed MATLAB program. It was found that a step disturbance of ±10 °C in the process loop changed the thermal duty by ±650 kW, equal to 6.5% of the initial duty. Similar disturbances in the primary loop had a higher impact on the system. The control system design included a provision for the switching of manipulated variables to limit the adjustment in the magnitudes of the primary manipulated variables. Simulation results indicate that the controlled variables are maintained successfully at their desired points by the control system.

CAL3JHH: a Java program to calculate the vicinal coupling constants (3J H,H) of organic molecules.

Science.gov (United States)

Aguirre-Valderrama, Alonso; Dobado, José A

2008-12-01

Here, we present a free web-accessible application, developed in the JAVA programming language for the calculation of vicinal coupling constant (3J(H,H)) of organic molecules with the H-Csp3-Csp3-H fragment. This JAVA applet is oriented to assist chemists in structural and conformational analyses, allowing the user to calculate the averaged 3J(H,H) values among conformers, according to its Boltzmann populations. Thus, the CAL3JHH program uses the Haasnoot-Leeuw-Altona equation, and, by reading the molecule geometry from a protein data bank (PDB) file format or from multiple pdb files, automatically detects all the coupled hydrogens, evaluating the data needed for this equation. Moreover, a "Graphical viewer" menu allows the display of the results on the 3D molecule structure, as well as the plotting of the Newman projection for the couplings.

np scattering measurements at 162 MeV and the πNN coupling constant

International Nuclear Information System (INIS)

Rahm, J.; Blomgren, J.; Conde, H.; Dangtip, S.; Elmgren, K.; Olsson, N.; Roennqvist, T.; Zorro, R.; Ringbom, A.; Tibell, G.; Jonsson, O.; Nilsson, L.; Renberg, P.U.; Ericson, T.E.O.; Loiseau, B.

1999-01-01

The differential np scattering cross sections has been measured at 162 MeV in the angular range θ c.m. = 72 angle - 180 angle, using the neutron beam facility at the Svedberg Laboratory in Uppsala. Special attention was paid to the absolute normalization of the data. In the angular range 150 angle - 180 angle, the data are steeper then those of most previous measurements and predictions from energy-dependent partial-wave analyses, or nucleon-nucleon potentials. Moreover, a value of the charged πNN coupling constant, g π± 2 = 14.52 ± 0.26 (f π± 2 = 0.0803 ± 0.0014), is deduced from the data, using a novel extrapolation method. This is in good agreement with the classical text book value, but higher than those determined in recent partial-wave analyses of the nucleon-nucleon data base. (authors)

PSYCHE CPMG-HSQMBC: An NMR Spectroscopic Method for Precise and Simple Measurement of Long-Range Heteronuclear Coupling Constants.

Science.gov (United States)

Timári, István; Szilágyi, László; Kövér, Katalin E

2015-09-28

Among the NMR spectroscopic parameters, long-range heteronuclear coupling constants convey invaluable information on torsion angles relevant to glycosidic linkages of carbohydrates. A broadband homonuclear decoupled PSYCHE CPMG-HSQMBC method for the precise and direct measurement of multiple-bond heteronuclear couplings is presented. The PSYCHE scheme built into the pulse sequence efficiently eliminates unwanted proton-proton splittings from the heteronuclear multiplets so that the desired heteronuclear couplings can be determined simply by measuring frequency differences between peak maxima of pure antiphase doublets. Moreover, PSYCHE CPMG-HSQMBC can provide significant improvement in sensitivity as compared to an earlier Zangger-Sterk-based method. Applications of the proposed pulse sequence are demonstrated for the extraction of (n)J((1)H,(77)Se) and (n)J((1)H,(13)C) values, respectively, in carbohydrates; further extensions can be envisioned in any J-based structural and conformational studies. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ion beam induced modification of exchange interaction and spin-orbit coupling in the Co2FeSi Heusler compound

International Nuclear Information System (INIS)

Hamrle, J; Blomeier, S; Gaier, O; Hillebrands, B; Schneider, H; Jakob, G; Reuscher, B; Brodyanski, A; Kopnarski, M; Postava, K; Felser, C

2007-01-01

A Co 2 FeSi (CFS) film with L2 1 structure was irradiated with different fluences of 30 keV Ga + ions. Structural modifications were subsequently studied using the longitudinal (LMOKE) and quadratic (QMOKE) magneto-optical Kerr effect. Both the coercivity and the LMOKE amplitude were found to show a similar behaviour upon irradiation: they are nearly constant up to ion fluences of ∼6 x 10 15 ion cm -2 , while they decrease with further increasing fluences and finally vanish at a fluence of ∼9 x 10 16 ion cm -2 , when the sample becomes paramagnetic. However, contrary to this behaviour, the QMOKE signal nearly vanishes even for the smallest applied fluence of 3 x 10 14 ion cm -2 . We attribute this reduction of the QMOKE signal to an irradiation-induced degeneration of second or higher order spin-orbit coupling, which already happens at small fluences of 30 keV Ga + ions. On the other hand, the reduction of coercivity and LMOKE signal with high ion fluences is probably caused by a reduction of the exchange interaction within the film material

Proof of confinement of static quarks in 3-dimensional U(1) lattice gauge theory for all values of the coupling constant

International Nuclear Information System (INIS)

Goepfert, M.; Mack, G.

1981-07-01

We study the 3-dimensional pure U(1) lattice gauge theory with Villain action which is related to the 3-dimensional Z-ferro-magnet by an exact duality transformation (and also to a Coulomb system). We show that its string tension α is nonzero for all values of the coupling constant g 2 , and obeys and bound α >= const x msub(D)β -1 for small ag 2 , with β = 4π 2 /g 2 and m 2 sub(D) = (2β/a 3 )esup(-βupsiloncb(0)/2) (a = lattice spacing). A continuum limit a → 0, msub(D) fixed, exists and represents a scalar free field theory of mass msub(D). The string tension αmsub(D) -2 in physical units tends to infinite in this limit. Characteristic differences in the behavior of the model for large and small coupling constant ag 2 are found. Renormalization group aspects are discussed. (orig.)

Numerical and Experimental Study of an Ambient Air Vaporizer Coupled with a Compact Heat Exchanger

Science.gov (United States)

Kimura, Randon

The University of Washington was tasked with designing a "21st century engine" that will make use of the thermal energy available in cryogenic gasses due to their coldness. There are currently large quantities of cryogenic gases stored throughout the U.S. at industrial facilities whereupon the regasification process, the potential for the fluid to do work is wasted. The engine proposed by the University of Washington will try to capture some of that wasted energy. One technical challenge that must be overcome during the regasification process is providing frost free operation. This thesis presents the numerical analysis and experimental testing of a passive heat exchange system that uses ambient vaporizers coupled with compact heat exchangers to provide frost free operation while minimizing pressure drop.

Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants

DEFF Research Database (Denmark)

Provasi, Patricio F.; Caputo, María Cristina; Sauer, Stephan P. A.

2012-01-01

A theoretical study of FCCF:(HF)n complexes, with n = 1 and 2, has been carried out by means of ab initio computational methods. Two types of complexes are formed: those with FH···p interactions and those with FH···FC hydrogen bonds. The indirect spin–spin coupling constants have been calculated ...

Thermal modeling of a greenhouse integrated to an aquifer coupled cavity flow heat exchanger system

Energy Technology Data Exchange (ETDEWEB)

Sethi, V.P. [Department of Mechanical Engineering, Punjab Agricultural University, Ludhiana 141 008, Punjab (India); Sharma, S.K. [Energy Research Centre, Panjab University, Chandigarh 160 017, Punjab (India)

2007-06-15

A thermal model is developed for heating and cooling of an agricultural greenhouse integrated with an aquifer coupled cavity flow heat exchanger system (ACCFHES). The ACCFHES works on the principal of utilizing deep aquifer water available at the ground surface through an irrigation tube well already installed in every agricultural field at constant year-round temperature of 24 C. The analysis is based on the energy balance equations for different components of the greenhouse. Using the derived analytical expressions, a computer program is developed in C{sup ++} for computing the hourly greenhouse plant and room air temperature for various design and climatic parameters. Experimental validation of the developed model is carried out using the measured plant and room air temperature data of the greenhouse (in which capsicum is grown) for the winter and summer conditions of the year 2004-2005 at Chandigarh (31 N and 78 E), Punjab, India. It is observed that the predicted and measured values are in close agreement. Greenhouse room air and plant temperature is maintained 6-7 K and 5-6 K below ambient, respectively for an extreme summer day and 7-8 K and 5-6 K above ambient, respectively for an extreme winter night. Finally, parametric studies are conducted to observe the effect of various operating parameters such as mass of the plant, area of the plant, mass flow rate of the circulating air and area of the ACCFHES on the greenhouse room air and plant temperature. (author)

Exchange coupling behavior in bimagnetic CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Leite, G.C.P. [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Chagas, E.F., E-mail: efchagas@fisica.ufmt.br [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Pereira, R.; Prado, R.J. [Instituto de Fisica, Universidade Federal de Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Terezo, A.J. [Departamento de Quimica, Universidade Federal do Mato Grosso, 78060-900 Cuiaba-MT (Brazil); Alzamora, M.; Baggio-Saitovitch, E. [Centro Brasileiro de Pesquisas Fisicas, Rua Xavier Sigaud 150 Urca, Rio de Janeiro (Brazil)

2012-09-15

In this work we report a study of the magnetic behavior of ferrimagnetic oxide CoFe{sub 2}O{sub 4} and ferrimagnetic oxide/ferromagnetic metal CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite. The latter compound is a good system to study hard ferrimagnet/soft ferromagnet exchange coupled. Two steps were followed to synthesize the bimagnetic CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite: (i) first, preparation of CoFe{sub 2}O{sub 4} nanoparticles using a simple hydrothermal method, and (ii) second, reduction reaction of cobalt ferrite nanoparticles using activated charcoal in inert atmosphere and high temperature. The phase structures, particle sizes, morphology, and magnetic properties of CoFe{sub 2}O{sub 4} nanoparticles were investigated by X-Ray diffraction (XRD), Mossbauer spectroscopy (MS), transmission electron microscopy (TEM), and vibrating sample magnetometer (VSM) with applied field up to 3.0 kOe at room temperature and 50 K. The mean diameter of CoFe{sub 2}O{sub 4} particles is about 16 nm. Mossbauer spectra revealed two sites for Fe{sup 3+}. One site is related to Fe in an octahedral coordination and the other one to the Fe{sup 3+} in a tetrahedral coordination, as expected for a spinel crystal structure of CoFe{sub 2}O{sub 4}. TEM measurements of nanocomposite showed the formation of a thin shell of CoFe{sub 2} on the cobalt ferrite and indicate that the nanoparticles increase to about 100 nm. The magnetization of the nanocomposite showed a hysteresis loop that is characteristic of exchange coupled systems. A maximum energy product (BH){sub max} of 1.22 MGOe was achieved at room temperature for CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposites, which is about 115% higher than the value obtained for CoFe{sub 2}O{sub 4} precursor. The exchange coupling interaction and the enhancement of product (BH){sub max} in nanocomposite CoFe{sub 2}O{sub 4}/CoFe{sub 2} are discussed. - Highlights: Black-Right-Pointing-Pointer CoFe{sub 2}O{sub 4}/CoFe{sub 2} nanocomposite

Measurement of acid dissociation constants of weak acids by cation exchange and conductometry

Energy Technology Data Exchange (ETDEWEB)

Dasgupta, P.K.; Nara, Osamu (Texas Tech Univ., Lubbock (USA))

1990-06-01

A simple strategy is presented for the determination of acid dissociation constants based on the measurement of conductance of a known concentration of the acid and/or the conductance of a solution of its fully or partially neutralized alkali-metal salts. For an n-protic acid, 2n conductance measurements are minimally necessary. In the simplest case of a typical monoprotic acid, the conductance of its alkali salt solution is measured before and after passage through an H{sup +}-form exchanger. From these data both the pK{sub a} of the acid and the equivalent conductance of the anion can be computed. The underlying equations are rigorously solved for monoprotic acids and some diprotic acid systems. For other diprotic and multiprotic acid systems, initial estimates are obtained by making approximations; the complete data set is then subjected to multiparametric fitting. The method does not require pH measurements; conductance can generally be measured accurately at low enough ionic strengths to obviate the need for major activity correction. Several experimental measurements are presented and excellent agreement with literature pK{sub a} values is observed. The reliability of the equivalent conductance values computed in this fashion is limited, however.

Interfacial Exchange Coupling Induced Anomalous Anisotropic Magnetoresistance in Epitaxial γ′-Fe 4 N/CoN Bilayers

KAUST Repository

Li, Zirun; Mi, Wenbo; Wang, Xiaocha; Zhang, Xixiang

2015-01-01

Anisotropic magnetoresistance (AMR) of the facing-target reactively sputtered epitaxial γ′-Fe4N/CoN bilayers is investigated. The phase shift and rectangular-like AMR appears at low temperatures, which can be ascribed to the interfacial exchange coupling. The phase shift comes from the exchange bias (EB) that makes the magnetization lag behind a small field. When the γ′-Fe4N thickness increases, the rectangular-like AMR appears. The rectangular-like AMR should be from the combined contributions including the EB-induced unidirectional anisotropy, intrinsic AMR of γ′-Fe4N layer and interfacial spin scattering.

Interfacial Exchange Coupling Induced Anomalous Anisotropic Magnetoresistance in Epitaxial γ′-Fe 4 N/CoN Bilayers

KAUST Repository

Li, Zirun

2015-02-02

Anisotropic magnetoresistance (AMR) of the facing-target reactively sputtered epitaxial γ′-Fe4N/CoN bilayers is investigated. The phase shift and rectangular-like AMR appears at low temperatures, which can be ascribed to the interfacial exchange coupling. The phase shift comes from the exchange bias (EB) that makes the magnetization lag behind a small field. When the γ′-Fe4N thickness increases, the rectangular-like AMR appears. The rectangular-like AMR should be from the combined contributions including the EB-induced unidirectional anisotropy, intrinsic AMR of γ′-Fe4N layer and interfacial spin scattering.

The influence of magnetostatic interactions in exchange-coupled composite particles

DEFF Research Database (Denmark)

Vokoun, D.; Beleggia, Marco; De Graef, M.

2010-01-01

Exchange-coupled composite (ECC) particles are the basic constituents of ECC magnetic recording media. We examine and compare two types of ECC particles: (i) core-shell structures, consisting of a hard-magnetic core and a coaxial soft-magnetic shell and (ii) conventional ECC particles, with a hard-magnetic...... core topped by a soft cylindrical element. The model we present describes the magnetic response of the two ECC particle types, taking into account all significant magnetic contributions to the energy landscape. Special emphasis is given to the magnetostatic (dipolar) interaction energy. We find...... that both the switching fields and the zero-field energy barrier depend strongly on the particle geometry. A comparison between the two types reveals that core-shell ECC particles are more effective in switching field reduction, while conventional ECC particles maintain a larger overall figure of merit....

New limits on coupled dark energy model after Planck 2015

Science.gov (United States)

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

2018-06-01

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

Interaction between nucleotide binding sites on chloroplast coupling factor 1 during ATP hydrolysis

Energy Technology Data Exchange (ETDEWEB)

Leckband, D.; Hammes, G.G.

1987-04-21

The initial hydrolysis of radioactively-labelled CaATP by chloroplast coupling factor 1 was studied with the quenched-flow method. The time course of hydrolysis can be described as a first-order conversion of the enzyme to an active form followed by steady-state formation of product. The rate constant for the first-order process is independent of substrate concentration but increased hyperbolically to a limiting value of 0.43 s/sup -1/ with increasing concentrations of free Ca/sup 2 +/. A mechanism involving a Ca/sup 2 +/-triggered conversion to an active form of the enzyme is consistent with the data. The steady-state rate varied sigmoidally with the CaATP concentration. Initial exchange of tightly bound ADP is complex: approx. 50% of the bound nucleotide is lost within 30 s, with complete exchange requiring several minutes. The first-order rate constant characterizing the rapid phase of the reaction increases hyperbolically to a limiting value of 0.26 s/sup -1/ as the concentration of CaATP is increased, indicating that the binding of CaATP to the enzyme promotes the exchange process. Modification of the quenched-flow apparatus permitted measurement of the rate of nucleotide exchange during steady-state catalysis. The value of the first-order rate constant characterizing this process is similar to the catalytic rate constant determined under identical conditions. When MgATP is tightly bound to the enzyme, none of the kinetic properties of the enzyme described above were significantly changes. The results obtained suggest a mechanism in which two sites on the enzyme participate in catalysis. Several possible mechanisms consistent with the data are discussed.

Spin waves in the soft layer of exchange-coupled soft/hard bilayers

Energy Technology Data Exchange (ETDEWEB)

Xiong, Zheng-min; Ge, Su-qin; Wang, Xi-guang; Li, Zhi-xiong; Xia, Qing-lin; Wang, Dao-wei; Nie, Yao-zhuang; Guo, Guang-hua, E-mail: guogh@mail.csu.edu.cn [School of Physics and Electronics, Central South University, Changsha 410083 (China); Tang, Wei [School of Physics and Electronics, Central South University, Changsha 410083 (China); Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215123 (China); Zeng, Zhong-ming [Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215123 (China)

2016-05-15

The magnetic dynamical properties of the soft layer in exchange-coupled soft/hard bilayers have been investigated numerically using a one-dimensional atomic chain model. The frequencies and spatial profiles of spin wave eigenmodes are calculated during the magnetization reversal process of the soft layer. The spin wave modes exhibit a spatially modulated amplitude, which is especially evident for high-order modes. A dynamic pinning effect of surface magnetic moment is observed. The spin wave eigenfrequency decreases linearly with the increase of the magnetic field in the uniformly magnetized state and increases nonlinearly with field when spiral magnetization configuration is formed in the soft layer.

Spin waves in the soft layer of exchange-coupled soft/hard bilayers

Directory of Open Access Journals (Sweden)

Zheng-min Xiong

2016-05-01

Full Text Available The magnetic dynamical properties of the soft layer in exchange-coupled soft/hard bilayers have been investigated numerically using a one-dimensional atomic chain model. The frequencies and spatial profiles of spin wave eigenmodes are calculated during the magnetization reversal process of the soft layer. The spin wave modes exhibit a spatially modulated amplitude, which is especially evident for high-order modes. A dynamic pinning effect of surface magnetic moment is observed. The spin wave eigenfrequency decreases linearly with the increase of the magnetic field in the uniformly magnetized state and increases nonlinearly with field when spiral magnetization configuration is formed in the soft layer.

The πNN coupling from high precision np charge exchange at 162 MeV

International Nuclear Information System (INIS)

Nilsson, J.; Blomgren, J.; Conde, H.; Elmgren, K.; Olsson, N.; Ericson, T.E.O.; Uppsala Univ.; Jonsson, O.; Nilsson, L.; Loiseau, B.; Ringbom, A.

1995-02-01

Differential cross sections for unpolarized neutrons of 162 MeV have been measured to high precision with particular attention to the absolute normalisation. These data can be extrapolated precisely and model-independently to the pion pole and give a πNN coupling constant g 2 =14.6±0.3 or f 2 =0.0808±0.0017. This is higher than recently suggested values. (author) 24 refs.; 3 figs.; 1 tab

Ion-exchange properties of natural mordenite

International Nuclear Information System (INIS)

Chelishchev, N.F.; Volodin, V.F.

1977-01-01

Ion exchange properties are studied of natural mordenite Si(Al=4.75) exhibiting adequate mechanical characteristics and sufficient resistance to high temperature acids. Consideration is given to the pattern of exchange ions distribution among mordenite and chloride solutions of K, Cs, Rb, Sr. Mordenite shows sharp selectivity towards large alkali metal cations, particularly Cs + . In these processes the exchange isotherms are characterized by the constant selectivity towards a counterion. For the Sr 2+ -2Na + exchange the isotherm shows a change of selectivity after a definite counterion concentration has been reached in the solution. Correlation between the exchange thermodynamic constants makes it possible to propose the following range of mordenite selectivity towards the cations under study: Cs>Rb>K>Na>Sr

A natural cosmological constant from chameleons

International Nuclear Information System (INIS)

Nastase, Horatiu; Weltman, Amanda

2015-01-01

We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT)-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero) and the coincidence problem (why Λ is comparable to the matter density now)

A natural cosmological constant from chameleons

Directory of Open Access Journals (Sweden)

Horatiu Nastase

2015-07-01

Full Text Available We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero and the coincidence problem (why Λ is comparable to the matter density now.

A natural cosmological constant from chameleons

Energy Technology Data Exchange (ETDEWEB)

Nastase, Horatiu, E-mail: nastase@ift.unesp.br [Instituto de Física Teórica, UNESP-Universidade Estadual Paulista, R. Dr. Bento T. Ferraz 271, Bl. II, Sao Paulo 01140-070, SP (Brazil); Weltman, Amanda, E-mail: amanda.weltman@uct.ac.za [Astrophysics, Cosmology & Gravity Center, Department of Mathematics and Applied Mathematics, University of Cape Town, Private Bag, Rondebosch 7700 (South Africa)

2015-07-30

We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT)-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero) and the coincidence problem (why Λ is comparable to the matter density now)

Molecular magnetism of a linear Fe(III)-Mn(II)-Fe(III) complex. Influence of long-range exchange interaction

International Nuclear Information System (INIS)

Lengen, M.; Chaudhuri, P.

1994-01-01

The magnetic properties of [L-Fe(III)-dmg 3 Mn(II)-Fe(III)-L] (ClO 4 ) 2 have been characterized by magnetic susceptibility, EPR, and Moessbauer studies. L represents 1,4,7-trimethyl-,1,4,7-triazacyclononane and dmg represents dimethylglyoxime. X-ray diffraction measurements yield that the arrangement of the three metal centers is strictly linear with atomic distances d Fe-Mn 0.35 nm and d Fe-Fe = 0.7 nm. Magnetic susceptibility measurements (3-295 K) were analyzed in the framework of the spin-Hamiltonian formalism considering Heisenberg exchange and Zeeman interaction: H = J Fe-Mn (S Fe1 + S Fe2 )S Mn + J Fe-Fe S Fe1 S Fe2 + gμ B S total B. The spins S Fe1 = S Fe2 = S Mn = 5/2 of the complex are antiferromagnetically coupled, yielding a total spin of S total = 5/2 with exchange coupling constants F Fe-Mn = 13.4 cm -1 and J Fe-Fe = 4.5 cm -1 . Magnetically split Moessbauer spectra were recorded at 1.5 K under various applied fields (20 mT, 170 mT, 4 T). The spin-Hamiltonian analysis of these spectra yields isotropic magnetic hyperfine coupling with A total /(g N μ N ) = -18.5 T. The corresponding local component A Fe is related to A total via spin-projection: A total = (6/7)A Fe . The resulting A Fe /(g N μ N ) -21.6 T is in agreement with standard values of ferric high-spin complexes. Spin-Hamiltonian parameters as obtained from Moessbauer studies and exchange coupling constants as derived from susceptibility measurements are corroborated by temperature-dependent EPR studies. (orig.)

Precision determination of the πN scattering lengths and the charged πNN coupling constant

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Thomas, A.W.

2000-01-01

We critically evaluate the isovector GMO sumrule for the charged πNN coupling constant using recent precision data from π - p and π - d atoms and with careful attention to systematic errors. From the π - d scattering length we deduce the pion-proton scattering lengths ((1)/(2))(a π - p + a π - n ) = (-20 ± 6(statistic)±10 (systematic) ·10 -4 m -1 π c and ((1)/(2))(a π - p - a π - n ) = (903 ± 14) · 10 -4 m -1 π c . From this a direct evaluation gives g 2 c (GMO)/4π = 14.20 ± 0.07 (statistic)±0.13(systematic) or f 2 c /4π = 0.0786 ± 0.0008

Precision determination of the $\\pi N$ scattering lengths and the charged $\\pi NN$ coupling constant

CERN Document Server

Ericson, Torleif Eric Oskar; Thomas, A W

2000-01-01

We critically evaluate the isovector GMO sumrule for the charged $\\pi N N$ coupling constant using recent precision data from $\\pi ^-$p and $\\pi^-$d atoms and with careful attention to systematic errors. From the $\\pi ^-$d scattering length we deduce the pion-proton scattering lengths ${1/2}(a_{\\pi ^-p}+a_{\\pi ^-n})=(-20\\pm 6$(statistic)$ \\pm 10$ (systematic))~$\\cdot 10^{-4}m_{\\pi_c}^{-1}$ and ${1/2}(a_{\\pi ^-p}-a_{\\pi ^-n})=(903 \\pm 14)\\cdot 10^{-4}m_{\\pi_c}^{-1}$. From this a direct evaluation gives $g^2_c(GMO) =14.20\\pm 0.07$(statistic)$\\pm 0.13$(systematic) or $f^2_c= 0.0786\\pm 0.0008$.

Quantifying Hyporheic Exchanges in a Large Scale River Reach Using Coupled 3-D Surface and Subsurface Computational Fluid Dynamics Simulations.

Energy Technology Data Exchange (ETDEWEB)

Hammond, Glenn Edward; Bao, J; Huang, M; Hou, Z; Perkins, W; Harding, S; Titzler, S; Ren, H; Thorne, P; Suffield, S; Murray, C; Zachara, J

2017-03-01

Hyporheic exchange is a critical mechanism shaping hydrological and biogeochemical processes along a river corridor. Recent studies on quantifying the hyporheic exchange were mostly limited to local scales due to field inaccessibility, computational demand, and complexity of geomorphology and subsurface geology. Surface flow conditions and subsurface physical properties are well known factors on modulating the hyporheic exchange, but quantitative understanding of their impacts on the strength and direction of hyporheic exchanges at reach scales is absent. In this study, a high resolution computational fluid dynamics (CFD) model that couples surface and subsurface flow and transport is employed to simulate hyporheic exchanges in a 7-km long reach along the main-stem of the Columbia River. Assuming that the hyporheic exchange does not affect surface water flow conditions due to its negligible magnitude compared to the volume and velocity of river water, we developed a one-way coupled surface and subsurface water flow model using the commercial CFD software STAR-CCM+. The model integrates the Reynolds-averaged Navier-Stokes (RANS) equation solver with a realizable κ-ε two-layer turbulence model, a two-layer all y⁺ wall treatment, and the volume of fluid (VOF) method, and is used to simulate hyporheic exchanges by tracking the free water-air interface as well as flow in the river and the subsurface porous media. The model is validated against measurements from acoustic Doppler current profiler (ADCP) in the stream water and hyporheic fluxes derived from a set of temperature profilers installed across the riverbed. The validated model is then employed to systematically investigate how hyporheic exchanges are influenced by surface water fluid dynamics strongly regulated by upstream dam operations, as well as subsurface structures (e.g. thickness of riverbed and subsurface formation layers) and hydrogeological properties (e.g. permeability). The results

Coupler tuning for constant gradient travelling wave accelerating structures

International Nuclear Information System (INIS)

Guo Xingkun; Ma Yanyun; Wang Xiulong

2013-01-01

The method of the coupler tuning for the constant gradient traveling wave accelerating structure was described and the formula of coupling coefficient p was deduced on the basis of analyzing the existing methods for the constant impedance traveling wave accelerating structures and coupling-cavity chain equivalent circuits. The method and formula were validated by the simulation result by CST and experiment data. (authors)

Wealth distribution of simple exchange models coupled with extremal dynamics

Science.gov (United States)

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

2015-01-01

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

The exchange interaction effects on magnetic properties of the nanostructured CoPt particles

Science.gov (United States)

Komogortsev, S. V.; Iskhakov, R. S.; Zimin, A. A.; Filatov, E. Yu.; Korenev, S. V.; Shubin, Yu. V.; Chizhik, N. A.; Yurkin, G. Yu.; Eremin, E. V.

2016-03-01

Various manifestations of the exchange interaction effects in magnetization curves of the CoPt nanostructured particles are demonstrated and discussed. The inter-grain exchange constant A in the sponge-like agglomerates of crystallites is estimated as A=(7±1) pJ/m from the approach magnetization to saturation curves that is in good agreement with A=(6.6±0.5) pJ/m obtained from Bloch T 3/2 law. The fractal dimensionality of the exchange coupled crystallite system in the porous media of the disordered CoPt alloy d=(2.60±0.18) was estimated from the approach magnetization to saturation curve. Coercive force decreases with temperature as Hc T 3/2 which is assumed to be a consequence of the magnetic anisotropy energy reduction due to the thermal spin wave excitations in the investigated CoPt particles.

Initialization method for triple-layer exchanged coupled direct overwrite MO disk (abstract)

Science.gov (United States)

Hatwar, T. K.; Genova, D. J.; Palumbo, A. C.

1993-05-01

Increasing efforts are directed at the development of direct overwrite (DOW) capability for achieving higher data transfer rate in MO media. DOW by light intensity modulation on a triple-layer medium has shown great promise. The three layers consist of memory, reference, and intermediate layers that are weakly coupled to each other. This scheme uses an auxiliary magnet to initialize the reference layer in one direction in addition to the bias magnet. DOW is between high and low power levels. High power aligns the magnetization of the coupled layers in one direction, and low power aligns the magnetization in the opposite direction. These high (Ph) and low (Pl) powers are generally widely separated. Since the focused writing beam has a Gaussian profile, when the center of the spot does the high power writing, the ``skirt'' is actually doing the low power writing. As a result, if the background is initialized in the direction of the high power written mark, a chain-like domain pattern is observed. This leads to high writing noise. We found that such writing noise can be eliminated by initializing the background in the direction of the low power written marks. We will discuss the spin structure in exchanged coupled triple-layer films and the DOW characteristics of the disk with the two different initialization methods.

Radionuclide behavior in water saturated porous media: Diffusion and infiltration coupling of thermodynamically and kinetically controlled radionuclide water - mineral interactions

International Nuclear Information System (INIS)

Spasennykh, M.Yu.; Apps, J.A.

1995-05-01

A model is developed describing one dimensional radionuclide transport in porous media coupled with locally reversible radionuclide water-mineral exchange reactions and radioactive decay. Problems are considered in which radionuclide transport by diffusion and infiltration processes occur in cases where radionuclide water-solid interaction are kinetically and thermodynamically controlled. The limits of Sr-90 and Cs-137 migration are calculated over a wide range of the problem variables (infiltration velocity, distribution coefficients, and rate constants of water-mineral radionuclide exchange reactions)

Pricing constant maturity credit default swaps under jumo dynamics

NARCIS (Netherlands)

Jönsson, H.; Schoutens, W.

2009-01-01

In this paper we discuss the pricing of Constant Maturity Credit Default Swaps (CMCDS) under single sided jump models. The CMCDS offers default protection in exchange for a floating premium which is periodically reset and indexed to the market spread on a CDS with constant maturity tenor written on

An Einstein-Cartan Fine Structure Constant Definition

Directory of Open Access Journals (Sweden)

Stone R. A. Jr.

2010-01-01

Full Text Available The fine structure constant definition given in Stone R.A. Jr. Progress in Physics, 2010, v.1, 11-13 is compared to an Einstein-Cartan fine structure constant definition. It is shown that the Einstein-Cartan definition produces the correct pure theory value, just not the measure value. To produce the measured value, the pure theory Einstein-Cartan fine structure constant requires only the new variables and spin coupling of the fine structure constant definition in [1].

Quantum effects induced by a gap in the spectrum of atom-bath coupling constants: ''Freezing'' of atomic decay and monochromatic collective radiation

International Nuclear Information System (INIS)

Mogilevtsev, D.S.; Kilin, S.Ya.

1994-08-01

A specific kind of inhibition of atomic decay (''freezing of decay) and intense monochromatic collective radiation are predicted for a single two-level atom and for a system of atoms interacting with the field bath having the gap in the spectrum of coupling constants. (author). 10 refs, 5 figs

Hydrogen--deuterium exchanges in nucleosides and nucleotides. A mechanism for exchange of the exocyclic amino hydrogens of adenosine

International Nuclear Information System (INIS)

Cross, D.G.; Brown, A.; Fisher, H.F.

1975-01-01

The pH dependence of the apparent first-order rate constant for the exchange of the exocyclic amino hydrogens of adenosine with deuterium from the solvent was measured by stopped-flow ultraviolet spectroscopy. This dependence shows acid catalysis, base catalysis, and spontaneous exchange at neutral pH values. A study of the effect of several buffers on the rates of exchange reveals both general acid and general base catalytic behavior for the exchange process. We propose a general mechanism for the exchange which requires N-1 protonated adenosine as an intermediate for the acid-catalyzed exchange and amidine anion for the base-catalyzed exchange. In both cases the rate-limiting step is the base-catalyzed abstraction of a proton from the exocyclic amino moiety. Evaluation of the rate constants predicts the equilibrium for the exocyclic amino/imino tautomers to be 6.3 x 10 3 :1. (U.S.)

Giant exchange bias in MnPd/Co bilayers

International Nuclear Information System (INIS)

Nguyen Thanh Nam; Nguyen Phu Thuy; Nguyen Anh Tuan; Nguyen Nguyen Phuoc; Suzuki, Takao

2007-01-01

A systematic study of exchange bias in MnPd/Co bilayers has been carried out, where the dependences of exchange bias, unidirectional anisotropy constant and coercivity on the thicknesses of MnPd and Co layers were investigated. A huge unidirectional anisotropy constant, J K =2.5erg/cm 2 was observed, which is in reasonable agreement with the theoretical prediction based on the model by Meiklejohn and Bean. The angular dependences of exchange bias field and coercivity have also been examined showing that both exchange bias and coercivity follow 1/cosα rule

Effective interaction for relativistic mean-field theories of nuclear structure

International Nuclear Information System (INIS)

Ai, H.B.; Celenza, L.S.; Harindranath, A.; Shakin, C.M.

1987-01-01

We construct an effective interaction, which when treated in a relativistic Hartree-Fock approximation, reproduces rather accurately the nucleon self-energy in nuclear matter and the Migdal parameters obtained via relativistic Brueckner-Hartree-Fock calculations. This effective interaction is constructed by adding Born terms, describing the exchange of pseudoparticles, to the Born terms of the Dirac-Hartree-Fock analysis. The pseudoparticles have relatively large masses and either real or imaginary coupling constants. (For example, exchange of a pseudo-sigma with an imaginary coupling constant has the effect of reducing the scalar attraction arising from sigma exchange while exchange of a pseudo-omega with an imaginary coupling constant has the effect of reducing the repulsion arising from omega exchange. The terms beyond the Born term in the case of pion exchange are well simulated by pseudo-sigma exchange with a real coupling constant.) The effective interaction constructed here may be used for calculations of the properties of finite nuclei in a relativistic Hartree-Fock approximation

Design and Micromagnetic Simulation of Fe/L10-FePt/Fe Trilayer for Exchange Coupled Composite Bit Patterned Media at Ultrahigh Areal Density

Directory of Open Access Journals (Sweden)

Warunee Tipcharoen

2015-01-01

Full Text Available Exchange coupled composite bit patterned media (ECC-BPM are one candidate to solve the trilemma issues, overcome superparamagnetic limitations, and obtain ultrahigh areal density. In this work, the ECC continuous media and ECC-BPM of Fe/L10-FePt/Fe trilayer schemes are proposed and investigated based on the Landau-Lifshitz-Gilbert equation. The switching field, Hsw, of the hard phase in the proposed continuous ECC trilayer media structure is reduced below the maximum write head field at interlayer exchange coupling between hard and soft phases, Aex, higher than 20 pJ/m and its value is lower than that for continuous L10-FePt single layer media and L10-FePt/Fe bilayer. Furthermore, the Hsw of the proposed ECC-BPM is lower than the maximum write head field with exchange coupling coefficient between neighboring dots of 5 pJ/m and Aex over 10 pJ/m. Therefore, the proposed ECC-BPM trilayer has the highest potential and is suitable for ultrahigh areal density magnetic recording technology at ultrahigh areal density. The results of this work may be gainful idea for nanopatterning in magnetic media nanotechnology.

Air-Sea Momentum and Enthalpy Exchange in Coupled Atmosphere-Wave-Ocean Modeling of Tropical Cyclones

Science.gov (United States)

Curcic, M.; Chen, S. S.

2016-02-01

The atmosphere and ocean are coupled through momentum, enthalpy, and mass fluxes. Accurate representation of these fluxes in a wide range of weather and climate conditions is one of major challenges in prediction models. Their current parameterizations are based on sparse observations in low-to-moderate winds and are not suited for high wind conditions such as tropical cyclones (TCs) and winter storms. In this study, we use the Unified Wave INterface - Coupled Model (UWIN-CM), a high resolution, fully-coupled atmosphere-wave-ocean model, to better understand the role of ocean surface waves in mediating air-sea momentum and enthalpy exchange in TCs. In particular, we focus on the explicit treatment of wave growth and dissipation for calculating atmospheric and oceanic stress, and its role in upper ocean mixing and surface cooling in the wake of the storm. Wind-wave misalignment and local wave disequilibrium result in difference between atmospheric and oceanic stress being largest on the left side of the storm. We find that explicit wave calculation in the coupled model reduces momentum transfer into the ocean by more than 10% on average, resulting in reduced cooling in TC's wake and subsequent weakening of the storm. We also investigate the impacts of sea surface temperature and upper ocean parameterization on air-sea enthalpy fluxes in the fully coupled model. High-resolution UWIN-CM simulations of TCs with various intensities and structure are conducted in this study to better understand the complex TC-ocean interaction and improve the representation of air-sea coupling processes in coupled prediction models.

π-exchange NN interaction model with overlapping nucleon form factors

International Nuclear Information System (INIS)

Bagnoud, X.

1986-01-01

The nucleon-nucleon (NN) interaction model includes a π-exchange and takes into account the first excited state Δ(1232) of the nucleon. It is supplemented by a short-range repulsion which has been derived from the nucleon form factor (rms radius b/sub f/) combined with the three-quark wave function (rms radius b/sub q/). The optimization of the model on empirical scattering phase shifts below 300 MeV gives, for a minimum chi 2 , the root-mean-square radii b/sub f/ = b/sub q/ = 0.51 fm and a coupling constant G/sub π/ 2 /4π = 13

Calculating the Ionization Constant of Functional Groups of Carboxyl Ion Exchangers

Science.gov (United States)

Meychik, N. R.; Stepanov, S. I.; Nikolaeva, Yu. I.

2018-02-01

The potentiometric titration of a weakly basic carboxyl cation exchanger, obtained via alkaline hydrolysis of an acrylonitrile copolymer with divinyl benzene (degree of crosslinking, 12%) in a wide range of variation in a solution of pH (2-12) and NaCl (concentration 0.01, 0.1, 0.5, 1 M), is considered. The maximum ion-exchange capacity of the ion exchanger for Na+ is determined (10.10 ± 0.088 mmol/g of the dry mass) and found to be independent of the solution's ionic strength. It is established that in the investigated range of NaCl concentrations and pH, the acid-base balance is adequately described by Gregor's equation. The parameters of this equation are calculated as a function of the NaCl concentration: p K a = 8.13 ± 0.04, n = 1.50 ± 0.02 for 0.01 M; p K a = 6.56 ± 0.04, n = 2.60 ± 0.07 for 0.1 M; and p K a = 5.66 ± 0.6, n = 2.62 ± 0.06 for 0.5 and 1 M. It is shown that to describe the acid-base balance correctly within the proposed model we must estimate the adequacy of the experimental and calculated values of the ion exchanger's capacity at each pH value according to the calculated parameters of Gregor's equation.

Regularization of the degradation behavior and working zone of proton exchange membrane fuel cells with a five-constant ideal cell as prototype

International Nuclear Information System (INIS)

Zhang, H.F.; Pei, P.C.; Yuan, X.; Chao, P.X.; Wang, X.Z.

2011-01-01

Highlights: → Load-oriented cell lifetime endpoint definition to reveal two forms of lifetime. → Working zone representing the range of optimum operating endpoint candidates. → Ideal cell model to describe the commonness in PEM fuel cell specialties. → Ideal cell as prototype to regularize real cells. → Working zone of real cells uniformly characterized with five cell constants. - Abstract: This paper is to outline the working zone (the correlative assembly of all the practical steady-state operating points under all affordable constant power loads) of proton exchange membrane (PEM) fuel cells in united form. For this purpose, an ideal cell model is proposed to regularize the degradation behavior of real cells, and a load-oriented cell lifetime endpoint definition is made to reveal two forms of cell lifetime. As derived, the working zone of any cell is an enclosed region by three boundaries: one part of the initial steady-state polarization (SSP) curve, the lifetime end-curve and the zero current density line; and the ideal cell has three distinct shapes of working zone of the simplest expressions of lifetime end-curve. Practical data well support the ideal cell as a good prototype for the regularization, and thus the working zone of real cells can be approximately but uniformly and concisely outlined, with the boundaries characterized with five cell constants including two initial SSP constants, two degradation constants and the absolute lifetime.

Exploring the Structure of a DNA Hairpin with the Help of NMR Spin-Spin Coupling Constants: An Experimental and Quantum Chemical Investigation

Czech Academy of Sciences Publication Activity Database

Sychrovský, Vladimír; Vacek, Jaroslav; Hobza, Pavel; Žídek, L.; Sklenář, V.; Cremer, D.

2002-01-01

Roč. 106, - (2002), s. 10242-10250 ISSN 1089-5639 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : DNA * help of NMR spin-spin coupling constants * quantum chemical investigation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.765, year: 2002

On the model dependence of the determination of the strong coupling constant in second order QCD from e+e--annihilation into hadrons

International Nuclear Information System (INIS)

Achterberg, O.; D'Agostini, G.; Apel, W.D.; Engler, J.; Fluegge, G.; Forstbauer, B.; Fries, D.C.; Fues, W.; Gamerdinger, K.; Henkes, T.; Hopp, G.; Krueger, M.; Kuester, H.; Mueller, H.; Randoll, H.; Schmidt, G.; Schneider, H.; Boer, W. de; Buschhorn, G.; Grindhammer, G.; Grosse-Wiesmann, P.; Gunderson, B.; Kiesling, C.; Kotthaus, R.; Kruse, U.; Lierl, H.; Lueers, D.; Oberlack, H.; Schacht, P.; Bonneaud, G.; Colas, P.; Cordier, A.; Davier, M.; Fournier, D.; Grivaz, J.F.; Haissinski, J.; Journe, V.; Laplanche, F.; Le Diberder, F.; Mallik, U.; Ros, E.; Veillet, J.J.; Behrend, H.J.; Fenner, H.; Schachter, M.J.; Schroeder, V.; Sindt, H.

1983-12-01

Hadronic events obtained with the CELLO detector at PETRA are compared with second order QCD predictions using different models for the fragmentation of quarks and gluons into hadrons. We find that the model dependence in the determination of the strong coupling constant persists when going from first to second order QCD calculations. (orig.)

Exchange bias coupling in La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/BiFeO{sub 3} heterostructures

Energy Technology Data Exchange (ETDEWEB)

Huijben, Mark; Chu, Ying-Hao; Martin, Lane W.; Seidel, Jan; Balke, Nina; Gajek, Martin; Yang, Chan-Ho; Yu, Pu; Holcomb, Micky; Ramesh, Ramamoorthy [Department of Physics and Department of Materials Science and Engineering, University of California, Berkeley (United States)

2008-07-01

Heterostructures based on perovskite transition-metal oxides have attracted much attention because of the possibility of tuning the magnetic and electronic properties of thin films through interface effects such as exchange interactions, charge transfer, and epitaxial strain. The development and understanding of multiferroic materials such as BiFeO{sub 3}, have piqued the interest with the promise of coupling between order parameters such as ferroelectricity and antiferromagnetism. In this study we investigate the magnetic properties in ferromagnetic-antiferromagnetic multiferroic heterostructures by using atomic scale controlled growth through laser-MBE in combination with real-time RHEED monitoring. We will show the controlled coupling at the interfaces in La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/BiFeO{sub 3} heterostructures. This coupling behavior is investigated by structural measurements, such as X-ray reciprocal space mapping to clarify strained states, and magnetic measurements to gain a deeper fundamental understanding of the interactions at these interfaces. The interface coupling displays a strong enhancement in the coercivity of the La{sub 0.7}Sr{sub 0.3}MnO{sub 3} layer and a large shift in the magnetization hysteresis loops, indicating the existence of exchange bias coupling.

Assessing the performance of the random phase approximation for exchange and superexchange coupling constants in magnetic crystalline solids

DEFF Research Database (Denmark)

Olsen, Thomas

2017-01-01

The random phase approximation (RPA) for total energies has previously been shown to provide a qualitatively correct description of static correlation in molecular systems, where density functional theory (DFT) with local functionals are bound to fail. This immediately poses the question of whether...... the RPA is also able to capture the correct physics of strongly correlated solids such asMott insulators. Due to strong electron localization, magnetic interactions in such systems are dominated by superexchange, which in the simplest picture can be regarded as the analog of static correlation...... for molecules. In this paper, we investigate the performance of the RPA for evaluating both superexchange and direct exchange interactions in the magnetic solids NiO, MnO, Na3Cu2SbO6, Sr2CuO3, Sr2CuTeO6, and a monolayer of CrI3, which were chosen to represent a broad variety of magnetic interactions...

Class of very simple gauge theories which remain renormalizable even in the limit of infinite gauge coupling constant

International Nuclear Information System (INIS)

Kaptanoglu, S.

1983-01-01

A class of local gauge theories based on compact semisimple Lie groups is studied in the limit of infinite gauge coupling constant (g = infinity). In general, in this limit, the gauge fields become auxiliary in all gauge theories, and the system develops a richer structure of constraints. Unfortunately for most gauge theories, this limit turns out to be too singular to quantize and the theory ceases to be renormalizable. For a special class of gauge theories, however, where there are no fermions and there is only one multiplet of scalars in the adjoint representation, we prove that a consistent renormalizable quantum theory exists even in this very singular limit. We trace this exceptional behavior to a new local translationlike symmetry in the functional space that this class of gauge models possesses in the limit of infinite gauge coupling constant. By carrying out the constraint analysis, evaluating the Faddeev-Popov-Senjanovic determinant, and doing the functional integrations over the canonical momenta, the gauge fields, and most of the components of the scalar fields, we obtain an extremely simple result with no non-Abelian structure left in it. For example, for the group SU(2), the final answer reduces to the theory of a one-component self-interacting real phi 4 scalar field theory. Throughout this paper, we use functional methods and make no approximations; our results are nonperturbative and exact. We also discuss some of the possible implications of our results

Structure of the (0+,1+) mesons Bs0 and Bs1, and the strong coupling constant gBs0BK and gBs1B*K

International Nuclear Information System (INIS)

Wang, Z. G.

2008-01-01

In this article, we take the point of view that the bottomed (0 + ,1 + ) mesons B s0 and B s1 are the conventional bs meson and calculate the strong coupling constants g B s0 BK and g B s1 B*K with the light-cone QCD sum rules. The numerical values of strong coupling constants g B s1 B*K and g B s0 BK are very large and support the hadronic dressing mechanism. Just like the scalar mesons f 0 (980), a 0 (980), D s0 and axial-vector meson D s1 , the (0 + ,1 + ) bottomed mesons B s0 and B s1 may have small bs kernels of the typical bs meson size. The strong couplings to the hadronic channels (or the virtual mesons loops) may result in smaller masses than the conventional bs mesons in the potential quark models and enrich the pure bs states with other components.

Conformational analysis of g protein-coupled receptor signaling by hydrogen/deuterium exchange mass spectrometry.

Science.gov (United States)

Li, Sheng; Lee, Su Youn; Chung, Ka Young

2015-01-01

Conformational change and protein-protein interactions are two major mechanisms of membrane protein signal transduction, including G protein-coupled receptors (GPCRs). Upon agonist binding, GPCRs change conformation, resulting in interaction with downstream signaling molecules such as G proteins. To understand the precise signaling mechanism, studies have investigated the structural mechanism of GPCR signaling using X-ray crystallography, nuclear magnetic resonance (NMR), or electron paramagnetic resonance. In addition to these techniques, hydrogen/deuterium exchange mass spectrometry (HDX-MS) has recently been used in GPCR studies. HDX-MS measures the rate at which peptide amide hydrogens exchange with deuterium in the solvent. Exposed or flexible regions have higher exchange rates and excluded or ordered regions have lower exchange rates. Therefore, HDX-MS is a useful tool for studying protein-protein interfaces and conformational changes after protein activation or protein-protein interactions. Although HDX-MS does not give high-resolution structures, it analyzes protein conformations that are difficult to study with X-ray crystallography or NMR. Furthermore, conformational information from HDX-MS can help in the crystallization of X-ray crystallography by suggesting highly flexible regions. Interactions between GPCRs and downstream signaling molecules are not easily analyzed by X-ray crystallography or NMR because of the large size of the GPCR-signaling molecule complexes, hydrophobicity, and flexibility of GPCRs. HDX-MS could be useful for analyzing the conformational mechanism of GPCR signaling. In this chapter, we discuss details of HDX-MS for analyzing GPCRs using the β2AR-G protein complex as a model system. © 2015 Elsevier Inc. All rights reserved.

Exchange bias and perpendicular anisotropy study of ultrathin Pt-Co-Pt-IrMn multilayers sputtered on float glass

Science.gov (United States)

Laval, M.; Lüders, U.; Bobo, J. F.

2007-09-01

We have prepared ultrathin Pt-Co-Pt-IrMn polycrystalline multilayers on float-glass substrates by DC magnetron sputtering. We have determined the optimal set of thickness for both Pt layers, the Co layer and the IrMn biasing layer so that these samples exhibit at the same time out-of-plane magnetic anisotropy and exchange bias. Kerr microscopy domain structure imaging evidences an increase of nucleation rate accompanied with inhomogeneous magnetic behavior in the case of exchange-biased films compared to Pt-Co-Pt trilayers. Polar hysteresis loops are measured in obliquely applied magnetic field conditions, allowing us to determine both perpendicular anisotropy effective constant Keff and exchange-bias coupling JE, which are significantly different from the ones determined by standard switching field measurements.

Exchange bias and perpendicular anisotropy study of ultrathin Pt-Co-Pt-IrMn multilayers sputtered on float glass

International Nuclear Information System (INIS)

Laval, M.; Lueders, U.; Bobo, J.F.

2007-01-01

We have prepared ultrathin Pt-Co-Pt-IrMn polycrystalline multilayers on float-glass substrates by DC magnetron sputtering. We have determined the optimal set of thickness for both Pt layers, the Co layer and the IrMn biasing layer so that these samples exhibit at the same time out-of-plane magnetic anisotropy and exchange bias. Kerr microscopy domain structure imaging evidences an increase of nucleation rate accompanied with inhomogeneous magnetic behavior in the case of exchange-biased films compared to Pt-Co-Pt trilayers. Polar hysteresis loops are measured in obliquely applied magnetic field conditions, allowing us to determine both perpendicular anisotropy effective constant K eff and exchange-bias coupling J E , which are significantly different from the ones determined by standard switching field measurements

Effective exchange potentials for electronically inelastic scattering

International Nuclear Information System (INIS)

Schwenke, D.W.; Staszewska, G.; Truhlar, D.G.

1983-01-01

We propose new methods for solving the electron scattering close coupling equations employing equivalent local exchange potentials in place of the continuum-multiconfiguration-Hartree--Fock-type exchange kernels. The local exchange potentials are Hermitian. They have the correct symmetry for any symmetries of excited electronic states included in the close coupling expansion, and they have the same limit at very high energy as previously employed exchange potentials. Comparison of numerical calculations employing the new exchange potentials with the results obtained with the standard nonlocal exchange kernels shows that the new exchange potentials are more accurate than the local exchange approximations previously available for electronically inelastic scattering. We anticipate that the new approximations will be most useful for intermediate-energy electronically inelastic electron--molecule scattering

Interlayer Exchange Coupling: A General Scheme Turning Chiral Magnets into Magnetic Multilayers Carrying Atomic-Scale Skyrmions.

Science.gov (United States)

Nandy, Ashis Kumar; Kiselev, Nikolai S; Blügel, Stefan

2016-04-29

We report on a general principle using interlayer exchange coupling to extend the regime of chiral magnetic films in which stable or metastable magnetic Skyrmions can appear at a zero magnetic field. We verify this concept on the basis of a first-principles model for a Mn monolayer on a W(001) substrate, a prototype chiral magnet for which the atomic-scale magnetic texture is determined by the frustration of exchange interactions, impossible to unwind by laboratory magnetic fields. By means of ab initio calculations for the Mn/W_{m}/Co_{n}/Pt/W(001) multilayer system we show that for certain thicknesses m of the W spacer and n of the Co reference layer, the effective field of the reference layer fully substitutes the required magnetic field for Skyrmion formation.

Direct dimethyl ether (DME) synthesis through a thermally coupled heat exchanger reactor

International Nuclear Information System (INIS)

Vakili, R.; Pourazadi, E.; Setoodeh, P.; Eslamloueyan, R.; Rahimpour, M.R.

2011-01-01

Compared to some of the alternative fuel candidates such as methane, methanol and Fischer-Tropsch fuels, dimethyl ether (DME) seems to be a superior candidate for high-quality diesel fuel in near future. The direct synthesis of DME from syngas would be more economical and beneficial in comparison with the indirect process via methanol synthesis. Multifunctional auto-thermal reactors are novel concepts in process intensification. A promising field of applications for these concepts could be the coupling of endothermic and exothermic reactions in heat exchanger reactors. Consequently, in this study, a double integrated reactor for DME synthesis (by direct synthesis from syngas) and hydrogen production (by the cyclohexane dehydrogenation) is modelled based on the heat exchanger reactors concept and a steady-state heterogeneous one-dimensional mathematical model is developed. The corresponding results are compared with the available data for a pipe-shell fixed bed reactor for direct DME synthesis which is operating at the same feed conditions. In this novel configuration, DME production increases about 600 Ton/year. Also, the effects of some operational parameters such as feed flow rates and the inlet temperatures of exothermic and endothermic sections on reactor behaviour are investigated. The performance of the reactor needs to be proven experimentally and tested over a range of parameters under practical operating conditions.

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

Energy Technology Data Exchange (ETDEWEB)

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

1976-03-22

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

Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster.

Science.gov (United States)

Gould, Tim; Pittalis, Stefano

2017-12-15

Ensemble density functional theory is a promising method for the efficient and accurate calculation of excitations of quantum systems, at least if useful functionals can be developed to broaden its domain of practical applicability. Here, we introduce a guaranteed single-valued "Hartree-exchange" ensemble density functional, E_{Hx}[n], in terms of the right derivative of the universal ensemble density functional with respect to the coupling constant at vanishing interaction. We show that E_{Hx}[n] is straightforwardly expressible using block eigenvalues of a simple matrix [Eq. (14)]. Specialized expressions for E_{Hx}[n] from the literature, including those involving superpositions of Slater determinants, can now be regarded as originating from the unifying picture presented here. We thus establish a clear and practical description for Hartree and exchange in ensemble systems.

Direct analysis of ultra-trace semiconductor gas by inductively coupled plasma mass spectrometry coupled with gas to particle conversion-gas exchange technique.

Science.gov (United States)

Ohata, Masaki; Sakurai, Hiromu; Nishiguchi, Kohei; Utani, Keisuke; Günther, Detlef

2015-09-03

An inductively coupled plasma mass spectrometry (ICPMS) coupled with gas to particle conversion-gas exchange technique was applied to the direct analysis of ultra-trace semiconductor gas in ambient air. The ultra-trace semiconductor gases such as arsine (AsH3) and phosphine (PH3) were converted to particles by reaction with ozone (O3) and ammonia (NH3) gases within a gas to particle conversion device (GPD). The converted particles were directly introduced and measured by ICPMS through a gas exchange device (GED), which could penetrate the particles as well as exchange to Ar from either non-reacted gases such as an air or remaining gases of O3 and NH3. The particle size distribution of converted particles was measured by scanning mobility particle sizer (SMPS) and the results supported the elucidation of particle agglomeration between the particle converted from semiconductor gas and the particle of ammonium nitrate (NH4NO3) which was produced as major particle in GPD. Stable time-resolved signals from AsH3 and PH3 in air were obtained by GPD-GED-ICPMS with continuous gas introduction; however, the slightly larger fluctuation, which could be due to the ionization fluctuation of particles in ICP, was observed compared to that of metal carbonyl gas in Ar introduced directly into ICPMS. The linear regression lines were obtained and the limits of detection (LODs) of 1.5 pL L(-1) and 2.4 nL L(-1) for AsH3 and PH3, respectively, were estimated. Since these LODs revealed sufficiently lower values than the measurement concentrations required from semiconductor industry such as 0.5 nL L(-1) and 30 nL L(-1) for AsH3 and PH3, respectively, the GPD-GED-ICPMS could be useful for direct and high sensitive analysis of ultra-trace semiconductor gas in air. Copyright © 2015 Elsevier B.V. All rights reserved.

Differential multiple quantum relaxation caused by chemical exchange outside the fast exchange limit

International Nuclear Information System (INIS)

Wang Chunyu; Palmer, Arthur G.

2002-01-01

Differential relaxation of multiple quantum coherences is a signature for chemical exchange processes in proteins. Previous analyses of experimental data have used theoretical descriptions applicable only in the limit of fast exchange. Theoretical expressions for differential relaxation rate constants that are accurate outside fast exchange are presented for two-spin-system subject to two-site chemical exchange. The theoretical expressions are validated using experimental results for 15 N- 1 H relaxation in basic pancreatic trypsin inhibitor. The new theoretical expression is valuable for identification and characterization of exchange processes in proteins using differential relaxation of multiple quantum coherences

On the Angular Dependence of the Vicinal Fluorine-Fluorine Coupling Constant in 1,2-Difluoroethane:  Deviation from a Karplus-like Shape.

Science.gov (United States)

Provasi, Patricio F; Sauer, Stephan P A

2006-07-01

The angular dependence of the vicinal fluorine-fluorine coupling constant, (3)JFF, for 1,2-difluoroethane has been investigated with several polarization propagator methods. (3)JFF and its four Ramsey contributions were calculated using the random phase approximation (RPA), its multiconfigurational generalization, and both second-order polarization propagator approximations (SOPPA and SOPPA(CCSD)), using locally dense basis sets. The geometries were optimized for each dihedral angle at the level of density functional theory using the B3LYP functional and fourth-order Møller-Plesset perturbation theory. The resulting coupling constant curves were fitted to a cosine series with 8 coefficients. Our results are compared with those obtained previously and values estimated from experiment. It is found that the inclusion of electron correlation in the calculation of (3)JFF reduces the absolute values. This is mainly due to changes in the FC contribution, which for dihedral angles around the trans conformation even changes its sign. This sign change is responsible for the breakdown of the Karplus-like curve.

On time variation of fundamental constants in superstring theories

International Nuclear Information System (INIS)

Maeda, K.I.

1988-01-01

Assuming the action from the string theory and taking into account the dynamical freedom of a dilaton and its coupling to matter fluid, the authors show that fundamental 'constants' in string theories are independent of the 'radius' of the internal space. Since the scalar related to the 'constants' is coupled to the 4-dimensional gravity and matter fluid in the same way as in the Jordan-Brans Dicke theory with ω = -1, it must be massive and can get a mass easily through some symmetry breaking mechanism (e.g. the SUSY breaking due to a gluino condensation). Consequently, time variation of fundamental constants is too small to be observed

Measurement of the strong coupling constant {alpha}{sub s} with hadronic jets in deep inelastic scattering; Mesure de la constante de couplage forte {alpha}{sub s} avec les jets hadroniques en diffusion inelastique profonde

Energy Technology Data Exchange (ETDEWEB)

Gouzevitch, Maxime

2008-12-15

In this analysis we have used the production of hard jets in neutral-current DIS for the extraction of the strong coupling constant {alpha}{sub s}. The jets have been selected in the NC DIS events at large momentum transvers 1505. Three jet observables normalized to the total NC DIS cross section have been used: Inclusive jet multiplicity as well as the production rates of 2-jet and 3-jet events. The prediction of the renormalization-group equation for the evolution of the strong coupling constant has been successfully tested for two orders of magnitude between Q=2 QeV to Q=122 GeV. The better precision on {alpha}{sub s}(m{sub Z}) has been obtained with the combination ob the three observables at Q{sup 2}>150 GeV{sup 2}: {alpha}{sub s}(m{sub Z})=0.1180{+-}0.0007(exp.){sub -0.0034}{sup +0.0050}(th.){+-}0.0017(pdf.).

Charge-Neutral Constant pH Molecular Dynamics Simulations Using a Parsimonious Proton Buffer.

Science.gov (United States)

Donnini, Serena; Ullmann, R Thomas; Groenhof, Gerrit; Grubmüller, Helmut

2016-03-08

In constant pH molecular dynamics simulations, the protonation states of titratable sites can respond to changes of the pH and of their electrostatic environment. Consequently, the number of protons bound to the biomolecule, and therefore the overall charge of the system, fluctuates during the simulation. To avoid artifacts associated with a non-neutral simulation system, we introduce an approach to maintain neutrality of the simulation box in constant pH molecular dynamics simulations, while maintaining an accurate description of all protonation fluctuations. Specifically, we introduce a proton buffer that, like a buffer in experiment, can exchange protons with the biomolecule enabling its charge to fluctuate. To keep the total charge of the system constant, the uptake and release of protons by the buffer are coupled to the titration of the biomolecule with a constraint. We find that, because the fluctuation of the total charge (number of protons) of a typical biomolecule is much smaller than the number of titratable sites of the biomolecule, the number of buffer sites required to maintain overall charge neutrality without compromising the charge fluctuations of the biomolecule, is typically much smaller than the number of titratable sites, implying markedly enhanced simulation and sampling efficiency.

Full four-component relativistic calculations of the one-bond 77Se-13C spin-spin coupling constants in the series of selenium heterocycles and their parent open-chain selenides.

Science.gov (United States)

Rusakov, Yury Yu; Rusakova, Irina L; Krivdin, Leonid B

2014-05-01

Four-component relativistic calculations of (77)Se-(13)C spin-spin coupling constants have been performed in the series of selenium heterocycles and their parent open-chain selenides. It has been found that relativistic effects play an essential role in the selenium-carbon coupling mechanism and could result in a contribution of as much as 15-25% of the total values of the one-bond selenium-carbon spin-spin coupling constants. In the overall contribution of the relativistic effects to the total values of (1)J(Se,C), the scalar relativistic corrections (negative in sign) by far dominate over the spin-orbit ones (positive in sign), the latter being of less than 5%, as compared to the former (ca 20%). A combination of nonrelativistic second-order polarization propagator approach (CC2) with the four-component relativistic density functional theory scheme is recommended as a versatile tool for the calculation of (1)J(Se,C). Solvent effects in the values of (1)J(Se,C) calculated within the polarizable continuum model for the solvents with different dielectric constants (ε 2.2-78.4) are next to negligible decreasing negative (1)J(Se,C) in absolute value by only about 1 Hz. The use of the locally dense basis set approach applied herewith for the calculation of (77)Se-(13)C spin-spin coupling constants is fully justified resulting in a dramatic decrease in computational cost with only 0.1-0.2-Hz loss of accuracy. Copyright © 2014 John Wiley & Sons, Ltd.

Characterization of creatine guanidinium proton exchange by water-exchange (WEX) spectroscopy for absolute-pH CEST imaging in vitro.

Science.gov (United States)

Goerke, Steffen; Zaiss, Moritz; Bachert, Peter

2014-05-01

Chemical exchange saturation transfer (CEST) enables indirect detection of small metabolites in tissue by MR imaging. To optimize and interpret creatine-CEST imaging we characterized the dependence of the exchange-rate constant k(sw) of creatine guanidinium protons in aqueous creatine solutions as a function of pH and temperature T in vitro. Model solutions in the low pH range (pH = 5-6.4) were measured by means of water-exchange (WEX)-filtered ¹H NMR spectroscopy on a 3 T whole-body MR tomograph. An extension of the Arrhenius equation with effective base-catalyzed Arrhenius parameters yielded a general expression for k(sw) (pH, T). The defining parameters were identified as the effective base-catalyzed rate constant k(b,eff) (298.15 K) = (3.009 ± 0.16) × 10⁹  Hz l/mol and the effective activation energy E(A,b,eff)  = (32.27 ± 7.43) kJ/mol at a buffer concentration of c(buffer)  = (1/15) M. As expected, a strong dependence of k(sw) on temperature was observed. The extrapolation of the exchange-rate constant to in vivo conditions (pH = 7.1, T = 37 °C) led to the value of the exchange-rate constant k(sw)  = 1499 Hz. With the explicit function k(sw) (pH, T) available, absolute-pH CEST imaging could be realized and experimentally verified in vitro. By means of our calibration method it is possible to adjust the guanidinium proton exchange-rate constant k(sw) to any desired value by preparing creatine model solutions with a specific pH and temperature. Copyright © 2014 John Wiley & Sons, Ltd.

Large coercivity and unconventional exchange coupling in manganese-oxide-coated manganese—gallium nanoparticles

International Nuclear Information System (INIS)

Feng Jun-Ning; Liu Wei; Geng Dian-Yu; Ma Song; Yu Tao; Zhao Xiao-Tian; Dai Zhi-Ming; Zhao Xin-Guo; Zhang Zhi-Dong

2014-01-01

The microstructures and magnetic properties of nanoparticles, each composed of an antiferromagnetic (AFM) manganese-oxide shell and a ferromagnetic-like core of manganese—gallium (MnGa) compounds, are studied. The core-shell structure is confirmed by transmission electron microscope (TEM). The ferromagnetic-like core contains three kinds of MnGa binary compounds, i.e., ferrimagnetic (FI) D0 22 -type Mn 3 Ga, ferromagnetic (FM) Mn 8 Ga 5 , and AFM D0 19 -type Mn 3 Ga, of which the first two correspond respectively to a hard magnetic phase and to a soft one. Decoupling effect between these two phases is found at low temperature, which weakens gradually with increasing temperature and disappears above 200 K. The exchange bias (EB) effect is observed simultaneously, which is caused by the exchange coupling between the AFM shell and FM-like core. A large coercivity of 6.96 kOe (1 Oe = 79.5775 A·m −1 ) and a maximum EB value of 0.45 kOe are achieved at 300 K and 200 K respectively. (special topic — international conference on nanoscience and technology, china 2013)

Calculating constants of the rates of the reactions of excitation, ionization, and atomic exchange: A model of a shock oscillator with a change of the Hamiltonian of the system

Science.gov (United States)

Tsyganov, D. L.

2017-11-01

A new model for calculating the rates of reactions of excitation, ionization, and atomic exchange is proposed. Diatomic molecule AB is an unstructured particle M upon the exchange of elastic-vibrational (VT) energy, i.e., a model of a shock forceful oscillator with a change in Hamiltonian (SFOH). The SFOH model is based on the quantum theory of strong perturbations. The SFOH model allows generalization in simulating the rates of the reactions of excitation, ionization, and atomic exchange in the vibrational-vibrational (VV) energy exchange of diatomic molecules, and the exchange of VV- and VT-energy of polyatomic molecules. The rate constants of the excitation of metastables A 3Σ u +, B 3Π g , W 3Δ u , B'3Σ u -, a'3Σ u -, and the ionization of a nitrogen molecules from ground state X2Σ g + upon a collision with a heavy structureless particle (a nitrogen molecule), are found as examples.

Chiral approach to nuclear matter: Role of two-pion exchange with virtual delta-isobar excitation

OpenAIRE

Fritsch, S.; Kaiser, N.; Weise, W.

2004-01-01

We extend a recent three-loop calculation of nuclear matter in chiral perturbation theory by including the effects from two-pion exchange with single and double virtual $\\Delta(1232)$-isobar excitation. Regularization dependent short-range contributions from pion-loops are encoded in a few NN-contact coupling constants. The empirical saturation point of isospin-symmetric nuclear matter, $\\bar E_0 = -16 $MeV, $\\rho_0 = 0.16 $fm$^{-3}$, can be well reproduced by adjusting the strength of a two-...

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

International Nuclear Information System (INIS)

Nielsen, H.B.

1978-01-01

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

Optimization of spring exchange coupled ferrites, studied by in situ neutron diffraction

DEFF Research Database (Denmark)

Ahlburg, Jakob; Christensen, Mogens; Granados-Miralles, Cecilia

Strong permanent magnets with a high energy-product are vital for a great number of electronic devices, these can be found in transformers, loudspeakers, windmills etc. Normally the preferred type of magnets are Rare Earth Metals (REM) containing magnets. REM excels since the magnetic contributio...... with varying temperature (fixed flow) or varying flow (fixed temperature) has been performed. To optimize the exchange-coupling several experiments with fixed temperature and flow, have been performed where the conversion from spinel to metal has been varied....... reduced. These metal oxides are antiferromagnetically ordered an is therefore considered a parasitic phase. However by fine-tuning the reaction temperature and hydrogen flow rate the occurrence of the phase can be minimized. In order to distinguish between Co and Fe Neutrons are chosen. Since neutrons...

Quark and pion effective couplings from polarization effects

Energy Technology Data Exchange (ETDEWEB)

Braghin, Fabio L. [Federal University of Goias, Instituto de Fisica, Goiania, GO (Brazil)

2016-05-15

A flavor SU(2) effective model for pions and quarks is derived by considering polarization effects departing from the usual quark-quark effective interaction induced by dressed gluon exchange, i.e. a global color model for QCD. For that, the quark field is decomposed into a component that yields light mesons and the quark-antiquark condensate, being integrated out by means of the auxiliary field method, and another component which yields constituent quarks, which is basically a background quark field. Within a long-wavelength and weak quark field expansion (or large quark effective mass expansion) of a quark determinant, the leading terms are found up to the second order in a zero-order derivative expansion, by neglecting vector mesons that are considerably heavier than the pion. Pions are considered in the structureless limit and, besides the chiral invariant terms that reproduce previously derived expressions, symmetry breaking terms are also presented. The leading chiral quark-quark effective couplings are also found corresponding to a NJL and a vector-NJL couplings. All the resulting effective coupling constants and parameters are expressed in terms of the current and constituent quark masses and of the coupling g. (orig.)

Using the Model Coupling Toolkit to couple earth system models

Science.gov (United States)

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

2008-01-01

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

Entanglement and Other Nonclassical Properties of Two Two-Level Atoms Interacting with a Two-Mode Binomial Field: Constant and Intensity-Dependent Coupling Regimes

International Nuclear Information System (INIS)

Tavassoly, M.K.; Hekmatara, H.

2015-01-01

In this paper, we consider the interaction between two two-level atoms and a two-mode binomial field with a general intensity-dependent coupling regime. The outlined dynamical problem has explicit analytical solution, by which we can evaluate a few of its physical features of interest. To achieve the purpose of the paper, after choosing a particular nonlinearity function, we investigate the quantum statistics, atomic population inversion and at last the linear entropy of the atom-field system which is a good measure for the degree of entanglement. In detail, the effects of binomial field parameters, in addition to different initial atomic states on the temporal behavior of the mentioned quantities have been analyzed. The results show that, the values of binomial field parameters and the initial state of the two atoms influence on the nonclassical effects in the obtained states through which one can tune the nonclassicality criteria appropriately. Setting intensity-dependent coupling function equal to 1 reduces the results to the constant coupling case. By comparing the latter case with the nonlinear regime, we will observe that the nonlinearity disappears the pattern of collapse-revival phenomenon in the evolution of Mandel parameter and population inversion (which can be seen in the linear case with constant coupling), however, more typical collapse-revivals will be appeared for the cross-correlation function in the nonlinear case. Finally, in both linear and nonlinear regime, the entropy remains less than (but close to) 0.5. In other words the particular chosen nonlinearity does not critically affect on the entropy of the system. (paper)

Slot-Coupled Barbel Antenna

DEFF Research Database (Denmark)

Jørgensen, Kasper Lüthje; Jakobsen, Kaj Bjarne

2016-01-01

A novel slot-coupled barbel antenna is designed and analyzed. A sensitivity analysis performed in order to improve the bandwidth, while the center frequency is kept constant.......A novel slot-coupled barbel antenna is designed and analyzed. A sensitivity analysis performed in order to improve the bandwidth, while the center frequency is kept constant....

The ion exchange properties and equilibrium constants of Li+, Na+ and K+ on zirconium phosphate highly dispersed on a cellulose acetate fibers surface

Directory of Open Access Journals (Sweden)

Borgo Claudemir Adriano

2004-01-01

Full Text Available Highly dispersed zirconium phosphate was prepared by reacting celullose acetate/ZrO2 (ZrO2 = 11 wt%, 1.0 mmol g-1 of zirconium atom per gram of the material with phosphoric acid. High power decoupling magic angle spinning (HPDEC-MAS 31P NMR and X-ray photoelectron spectroscopy data indicated that HPO4(2- is the species present on the membrane surface. The specific concentration of acidic centers, determined by ammonia gas adsorption, is 0.60 mmol g-1. The ion exchange capacities for Li+, Na+ and K+ ions were determined from ion exchange isotherms at 298 K and showed the following values (in mmol g-1: Li+= 0.05, Na+= 0.38 and K+= 0.57. Due to the strong cooperative effect, the H+/Na+ and H+/K+ ion exchange is of non ideal nature. These ion exchange equilibria were treated with the use of models of fixed tridentate centers, which consider the surface of the sorbent as polyfunctional sorption centers. Both the observed ion exchange capacities with respect to the alkaline metal ions and the equilibrium constants are discussed by taking into consideration the sequence of the ionic hydration radii for Li+, Na+ and K+. The matrix affinity for the ions decreases with increasing the cations hydration radii from K+ to Li+. The high values of the separation factors S Na+/Li+ and S K+/Li+ (up to several hundreds support the application of this material for the quantitative separation of Na+ and K+ from Li+ from a mixture containing these three ions.

Static and Covariant Meson-Exchange Interactions in Nuclear Matter

International Nuclear Information System (INIS)

Carlson, B.V.; Hirata, D.

2011-01-01

The Dirac version of static meson exchange interactions provides a good description of low-energy NN scattering as well as very reasonable saturation properties in Dirac-Brueckner calculations of nuclear matter. We include retardation terms to make these interactions covariant and readjust the coupling constants so as to maintain a reasonable description of NN scattering. In this case, we find the Dirac-Brueckner approximation to nuclear matter to be extremely overbound. The Bonn meson-exchange interactions provide a good fit to low-energy nucleon-nucleon scattering and the deuteron binding energy using a static interaction and the Thompson form of the reduced two-nucleon interaction. We have readjusted the coupling constants of the these interactions to obtain almost equivalent fits to the scattering data and deuteron binding energy with a static interaction and the Blankenbecler-Sugar form of the reduced two-nucleon propagator and using both forms of the propagator with a covariant interaction. Dirac-Brueckner calculations using the static interactions furnish saturation properties similar to those found for the Bonn interactions. The covariant interactions, on the contrary, yield extreme overbinding and do not show signs of saturation before our calculations diverge. One of the advantages claimed for Dirac mean field calculations over nonrelativistic ones has been the fact that they yield reasonable saturation properties without the necessity of a three-body interaction. This is usually credited to the three-body effects introduced by virtual scattering through the Dirac sea states. These are included, in part, through the Dirac form of the self-energy in our calculations. However, we have explicitly excluded their contribution to the Brueckner scattering kernel. Dirac-Brueckner calculations in which both the positive and negative energy states are included in the scattering kernel result in less binding than those that include only the positive-energy ones

Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

Science.gov (United States)

Fransson, Thomas; Coriani, Sonia; Christiansen, Ove; Norman, Patrick

2013-03-28

Near carbon K-edge X-ray absorption fine structure spectra of a series of fluorine-substituted ethenes and acetone have been studied using coupled cluster and density functional theory (DFT) polarization propagator methods, as well as the static-exchange (STEX) approach. With the complex polarization propagator (CPP) implemented in coupled cluster theory, relaxation effects following the excitation of core electrons are accounted for in terms of electron correlation, enabling a systematic convergence of these effects with respect to electron excitations in the cluster operator. Coupled cluster results have been used as benchmarks for the assessment of propagator methods in DFT as well as the state-specific static-exchange approach. Calculations on ethene and 1,1-difluoroethene illustrate the possibility of using nonrelativistic coupled cluster singles and doubles (CCSD) with additional effects of electron correlation and relativity added as scalar shifts in energetics. It has been demonstrated that CPP spectra obtained with coupled cluster singles and approximate doubles (CC2), CCSD, and DFT (with a Coulomb attenuated exchange-correlation functional) yield excellent predictions of chemical shifts for vinylfluoride, 1,1-difluoroethene, trifluoroethene, as well as good spectral features for acetone in the case of CCSD and DFT. Following this, CPP-DFT is considered to be a viable option for the calculation of X-ray absorption spectra of larger π-conjugated systems, and CC2 is deemed applicable for chemical shifts but not for studies of fine structure features. The CCSD method as well as the more approximate CC2 method are shown to yield spectral features relating to π∗-resonances in good agreement with experiment, not only for the aforementioned molecules but also for ethene, cis-1,2-difluoroethene, and tetrafluoroethene. The STEX approach is shown to underestimate π∗-peak separations due to spectral compressions, a characteristic which is inherent to this

Computing magnetic anisotropy constants of single molecule magnets

Indian Academy of Sciences (India)

Administrator

Treating the anisotropy Hamiltonian as perturbation, we compute ... The dependence of DM on the energy gap between the ground and the excited states in both the systems has also been studied by using different sets of exchange constants.

Synthesis, characterization and analytical application of hybrid; Acrylamide zirconium (IV) arsenate a cation exchanger, effect of dielectric constant on distribution coefficient of metal ions

Energy Technology Data Exchange (ETDEWEB)

Nabi, Syed A. [Department of Chemistry, Aligarh Muslim University, Aligarh 202002, U.P. (India)], E-mail: sanabi@rediffmail.com; Shalla, Aabid H. [Department of Chemistry, Aligarh Muslim University, Aligarh 202002, U.P. (India)

2009-04-30

A new hybrid inorganic-organic cation exchanger acrylamide zirconium (IV) arsenate has been synthesized, characterized and its analytical application explored. The effect of experimental parameters such as mixing ratio of reagents, temperature, and pH on the properties of material has been studied. FTIR, TGA, X-ray, UV-vis spectrophotometry, SEM and elemental analysis were used to determine the physiochemical properties of this hybrid ion exchanger. The material behaves as a monofunctional acid with ion-exchange capacity of 1.65 meq/g for Na{sup +} ions. The chemical stability data reveals that the exchanger is quite stable in mineral acids, bases and fairly stable in organic solvents, while as thermal analysis shows that the material retain 84% of its ion-exchange capacity up to 600 deg. C. Adsorption behavior of metal ions in solvents with increasing dielectric constant has also been explored. The sorption studies reveal that the material is selective for Pb{sup 2+} ions. The analytical utility of the material has been explored by achieving some binary separations of metal ions on its column. Pb{sup 2+} has been selectively removed from synthetic mixtures containing Mg{sup 2+}, Ca{sup 2+}, Sr{sup 2+}, Zn{sup 2+} and Cu{sup 2+}, Al{sup 3+}, Ni{sup 2+}, Fe{sup 3+}. In order to demonstrate practical utility of the material quantitative separation of the Cu{sup 2+} and Zn{sup 2+} in brass sample has been achieved on its columns.

Pseudoscalar meson decay constants and couplings, the Witten-Veneziano formula beyond large Nc, and the topological susceptibility

International Nuclear Information System (INIS)

Shore, G.M. . E-mail g.m.shore@swansea.ac.uk

2006-01-01

The QCD formulae for the radiative decays η,η ' ->γγ, and the corresponding Dashen-Gell-Mann-Oakes-Renner relations, differ from conventional PCAC results due to the gluonic U(1) A axial anomaly. This introduces a critical dependence on the gluon topological susceptibility. In this paper, we revisit our earlier theoretical analysis of radiative pseudoscalar decays and the DGMOR relations and extract explicit experimental values for the decay constants. This is our main result. The flavour singlet DGMOR relation is the generalisation of the Witten-Veneziano formula beyond large N c , so we are able to give a quantitative assessment of the realisation of the 1/N c expansion in the U(1) A sector of QCD. Applications to other aspects of η ' physics, including the relation with the first moment sum rule for the polarised photon structure function g 1 γ , are highlighted. The U(1) A Goldberger-Treiman relation is extended to accommodate SU(3) flavour breaking and the implications of a more precise measurement of the η and η ' -nucleon couplings are discussed. A comparison with the existing literature on pseudoscalar meson decay constants using large-N c chiral Lagrangians is also made

Synthetic inorganic ion-exchange materials

International Nuclear Information System (INIS)

Abe, M.

1979-01-01

Exchange isotherms for hydrogen ion/alkali metal ions have been measured at 20 and 40 0 C, with a solution ionic strength of 0.1, in crystalline antimonic(V) acid as a cation-exchanger. The isotherms showed S-shaped curves for the systems of H + /Na + , H + /K + , H + /Rb + and H + /Cs + , but not for H + /Li + exchange. The selectivity coefficients (logarithm scale) vs equivalent fraction of alkali metal ions in the exchanger give linear functions for all systems studied. The selectivity sequences are shown. Overall and hypothetical (zero loading) thermodynamic equilibrium constants were evaluated for these ion-exchange reactions. (author)

Bridging exchange bias effect in NiO and Ni(core)@NiO(shell) nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Rinaldi-Montes, Natalia, E-mail: nataliarin@gmail.com [Departamento de Física, Universidad de Oviedo, E-33007 Oviedo (Spain); Gorria, Pedro [Departamento de Física & IUTA, EPI, Universidad de Oviedo, E-33203 Gijón (Spain); Martínez-Blanco, David [Servicios Científico-Técnicos, Universidad de Oviedo, E-33006 Oviedo (Spain); Fuertes, Antonio B. [Instituto Nacional del Carbón, CSIC, E-33080 Oviedo (Spain); Fernández Barquín, Luis [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, E-39005 Santander (Spain); Puente-Orench, Inés [Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza and Institut Laue-Langevin, BP 156, F-38042 Grenoble Cedex 9 (France); Blanco, Jesús A. [Departamento de Física, Universidad de Oviedo, E-33007 Oviedo (Spain)

2016-02-15

Among all bi-magnetic core(transition metal)@shell(transition metal oxide) nanoparticles (NPs), Ni@NiO ones show an onset temperature for the exchange bias (EB) effect far below the Néel temperature of bulk antiferromagnetic NiO. In this framework, the role played by the magnetism of NiO at the nanoscale is investigated by comparing the microstructure and magnetic properties of NiO and Ni@NiO NPs. With the aim of bridging the two systems, the diameter of the NiO NPs (~4 nm) is chosen to be comparable to the shell thickness of Ni@NiO ones (~2 nm). The EB effect in Ni@NiO NPs is attributed to the exchange coupling between the core and the shell, with an interfacial exchange energy of ΔE~0.06 erg cm{sup −2}, thus comparable to previous reports on Ni/NiO interfaces both in thin film and NP morphologies. In contrast, the EB detected in NiO NPs is explained in a picture where uncompensated spins located on a magnetically disordered surface shell are exchange coupled to the antiferromagnetic core. In all the studied NPs, the variation of the EB field as a function of temperature is described according to a negative exponential law with a similar decay constant, yielding a vanishing EB effect around T~40–50 K. In addition, the onset temperature for the EB effect in both NiO and Ni@NiO NPs seems to follow a universal dependence with the NiO crystallite size. - Highlights: • Comparison of the exchange bias effect in NiO and Ni(core)@NiO(shell) nanoparticles. • Universal temperature dependence of the exchange bias effect. • Suggested similar physical origin of the effect in both systems. • Size and crystallinity of the NiO shell hold the key for exchange bias properties.

Autonomous quantum Maxwell's demon based on two exchange-coupled quantum dots

Science.gov (United States)

Ptaszyński, Krzysztof

2018-01-01

I study an autonomous quantum Maxwell's demon based on two exchange-coupled quantum dots attached to the spin-polarized leads. The principle of operation of the demon is based on the coherent oscillations between the spin states of the system which act as a quantum iSWAP gate. Due to the operation of the iSWAP gate, one of the dots acts as a feedback controller which blocks the transport with the bias in the other dot, thus inducing the electron pumping against the bias; this leads to the locally negative entropy production. Operation of the demon is associated with the information transfer between the dots, which is studied quantitatively by mapping the analyzed setup onto the thermodynamically equivalent auxiliary system. The calculated entropy production in a single subsystem and information flow between the subsystems are shown to obey a local form of the second law of thermodynamics, similar to the one previously derived for classical bipartite systems.

Intersite Coulomb interaction and Heisenberg exchange

NARCIS (Netherlands)

Eder, R; van den Brink, J.; Sawatzky, G.A

1996-01-01

Based on exact diagonalization results for small clusters we discuss the effect of intersite Coulomb repulsion in Mott-Hubbard or charge transfers insulators. Whereas the exchange constant J for direct exchange is enhanced by intersite Coulomb interaction, that for superexchange is suppressed. The

Magnetic exchange couplings from constrained density functional theory: an efficient approach utilizing analytic derivatives.

Science.gov (United States)

Phillips, Jordan J; Peralta, Juan E

2011-11-14

We introduce a method for evaluating magnetic exchange couplings based on the constrained density functional theory (C-DFT) approach of Rudra, Wu, and Van Voorhis [J. Chem. Phys. 124, 024103 (2006)]. Our method shares the same physical principles as C-DFT but makes use of the fact that the electronic energy changes quadratically and bilinearly with respect to the constraints in the range of interest. This allows us to use coupled perturbed Kohn-Sham spin density functional theory to determine approximately the corrections to the energy of the different spin configurations and construct a priori the relevant energy-landscapes obtained by constrained spin density functional theory. We assess this methodology in a set of binuclear transition-metal complexes and show that it reproduces very closely the results of C-DFT. This demonstrates a proof-of-concept for this method as a potential tool for studying a number of other molecular phenomena. Additionally, routes to improving upon the limitations of this method are discussed. © 2011 American Institute of Physics

Exchange coupled CoPt/FePtC media for heat assisted magnetic recording

Science.gov (United States)

Dutta, Tanmay; Piramanayagam, S. N.; Ru, Tan Hui; Saifullah, M. S. M.; Bhatia, C. S.; Yang, Hyunsoo

2018-04-01

L10 FePtC granular media are being studied as potential future magnetic recording media and are set to be used in conjunction with heat assisted magnetic recording (HAMR) to enable recording at write fields within the range of current day recording heads. Media structures based on a FePtC storage layer and a capping layer can alleviate the switching field distribution (SFD) requirements of HAMR and reduce the noise originating from the writing process. However, the current designs suffer from SFD issues due to high temperature writing. To overcome this problem, we study a CoPt/FePtC exchange coupled composite structure, where FePtC serves as the storage layer and CoPt (with higher Curie temperature, Tc) as the capping layer. CoPt remains ferromagnetic at near Tc of FePtC. Consequently, the counter exchange energy from CoPt would reduce the noise resulting from the adjacent grain interactions during the writing process. CoPt/FePtC bilayer samples with different thicknesses of CoPt were investigated. Our studies found that CoPt forms a continuous layer at a thickness of 6 nm and leads to considerable reduction in the saturation field and its distribution.

Thixoforming of Steel: New Tools Conception to Analyse Thermal Exchanges and Strain Rate Effects

International Nuclear Information System (INIS)

Cezard, P.; Bigot, R.; Becker, E.; Mathieu, S.; Pierret, J. C.; Rassili, A.

2007-01-01

Through different papers, authors shown that the influence of thermal exchanges was a first order parameter on the semi-solid steel behaviour, and certainly for every semi-solid metallic materials. These thermal exchanges hide other parameters effect like, for example, the strain rate influence. This paper tries to determine the influence of these two parameters by using a new extrusion device on a hydraulic press. This new tools conception annihilated the influence of the decrease of the punch speed before stopping and permitted to have a constant speed during the experiment. This work also deals with the homogeneous flow during thixoforming of steel and shows the importance to couple initial temperature of the slug with punch speed. This paper presents different conditions which permitted to have a homogeneous flow by keeping a low load

Strong Nuclear Gravitational Constant and the Origin of Nuclear Planck Scale

Directory of Open Access Journals (Sweden)

Seshavatharam U. V. S.

2010-07-01

Full Text Available Whether it may be real or an equivalent, existence of strong nuclear gravitational con- stant G S is assumed. Its value is obtained from Fermi’s weak coupling constant as G S = 6 : 9427284 10 31 m 3 / kg sec 2 and thus “nuclear planck scale” is defined. For strong interaction existence of a new integral charged “confined fermion” of mass 105.383 MeV is assumed. Strong coupling constant is the ratio of nuclear planck energy = 11.97 MeV and assumed 105.383 MeV. 1 s = X s is defined as the strong interaction mass gen- erator. With 105.383 MeV fermion various nuclear unit radii are fitted. Fermi’s weak coupling constant, strong interaction upper limit and Bohr radius are fitted at funda- mental level. Considering Fermi’s weak coupling constant and nuclear planck length a new number X e = 294.8183 is defined for fitting the electron, muon and tau rest masses. Using X s , X e and 105 : 32 = 0 : 769 MeV as the Coulombic energy constant = E c , en- ergy coe cients of the semi-empirical mass formula are estimated as E v = 16 : 32 MeV ; E s = 19 : 37 MeV ; E a = 23 : 86 MeV and E p = 11 : 97 MeV where Coulombic energy term contains [ Z ] 2 : Starting from Z = 2 nuclear binding energy is fitted with two terms along with only one energy constant = 0.769 MeV. Finally nucleon mass and its excited levels are fitted.

Supersymmetry breaking and determination of the unification gauge coupling constant in string theories

International Nuclear Information System (INIS)

Carlos, B. de; Casas, J.A.; Munoz, C.

1993-01-01

We study in a systematic and modular invariant way gaugino condensation in the hidden sector as a potential source of hierarchical supersymmetry breaking and a non-trivial potential for the dilaton S whose real part corresponds to the tree-level gauge coupling constant (Re S∝g gut -2 ). For the case of pure Yang-Mills condensation, we show that no realistic results (in particular no reasonable values for Re S) can emerge, even if the hidden gauge group is not simple. However, in the presence of hidden matter (i.e. the most frequent case) there arises a very interesting class of scenarios with two or more hidden condensing groups for which the dilaton dynamically acquires a reasonable value (Re S∝2) and supersymmetry is broken at the correct scale (m 3/2 ∝10 3 GeV) with no need of fine-tuning. Actually, good values for Re S and m 3/2 are correlated. We make an exhaustive classification of the working possibilities. Remarkably, the results are basically independent from the value of δ GS (the contributions from the Green-Schwarz mechanism). The radius of the compactified space also acquires an expectation value, breaking duality spontaneously. (orig.)

Domain walls and exchange-interaction in Permalloy/Gd films

International Nuclear Information System (INIS)

Ranchal, R; Aroca, C; Lopez, E

2008-01-01

In this work we study the exchange coupling in Permalloy (Py)/gadolinium (Gd) bilayers. The exchange-coupled Py/Gd system is very temperature dependent and moreover the magnetization process in the Py layer is mainly due to domain wall (DW) displacements which are strongly controlled by pinning effects. We propose that this pinning could be caused by magnetostatic and exchange interactions between Py DWs and the magnetostrictive Gd layer. These effects mask the antiferromagnetic coupling between layers and, depending on temperature and Py thicknesses, apparent ferromagnetic coupling occurs. The study has been performed in the 80-300 K temperature range for different Py layer thicknesses and different Py induced anisotropies

Running coupling constant of a gauge theory in the framework of the Schwinger-Dyson equation: Infrared behavior of three-dimensional quantum electrodynamics

International Nuclear Information System (INIS)

Kondo, K.

1997-01-01

We discuss how to define and obtain the running coupling of a gauge theory in the approach of the Schwinger-Dyson (SD) equation, in order to perform a nonperturbative study of the theory. For this purpose, we introduce the nonlocally generalized gauge fixing into the SD equation, which is used to define the running coupling constant (this method is applicable only to a gauge theory). Some advantages and the validity of this approach are exemplified in QED 3 . This confirms the slowing down of the rate of decrease of the running coupling and the existence of the nontrivial infrared fixed point (in the normal phase) of QED 3 , claimed recently by Aitchison and Mavromatos, without so many of their approximations. We also argue that the conventional approach is recovered by applying the (inverse) Landau-Khalatnikov transformation to the nonlocal gauge result. copyright 1997 The American Physical Society

A complete set of NMR chemical shifts and spin-spin coupling constants for L-Alanyl-L-Alanine zwitterion and analysis of its conformational behavior

Czech Academy of Sciences Publication Activity Database

Bouř, Petr; Buděšínský, Miloš; Špirko, Vladimír; Kapitán, Josef; Šebestík, Jaroslav; Sychrovský, Vladimír

2005-01-01

Roč. 127, - (2005), 17079-17089 ISSN 0002-7863 R&D Projects: GA AV ČR(CZ) IAA4055104; GA ČR(CZ) GA203/05/0388 Institutional research plan: CEZ:AV0Z40550506 Keywords : NMR * chemical shifts * coupling constants Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 7.419, year: 2005

Universal effective coupling constant ratios of 3D scalar ϕ4 field theory and pseudo-ϵ expansion

Directory of Open Access Journals (Sweden)

Sokolov A. I.

2016-01-01

Full Text Available The ratios R2k = g2k/gk − 14 of renormalized coupling constants g2k entering the small-field equation of state approach universal values R*2k at criticality. They are calculated for the three-dimensional λϕ4 field theory within the pseudo-ϵ expansion approach. Pseudo-ϵ expansions for R*6, R*8, R*10 are derived in the five-loop approximation, numerical estimates are obtained with a help of the Padé–Borel–Leroy resummation technique. Its use gives R*6 = 1.6488, the number which perfectly agrees with the most recent lattice result R*6 = 1.649. For the octic coupling the pseudo-ϵ expansion is less favorable numerically. Nevertheless the Padé–Borel–Leroy resummation leads to the estimate R*8 = 0.890 close to the values R*8 = 0.87, R*8 = 0.857 extracted from the lattice and field-theoretical calculations. The pseudo-ϵ expansion for R*10 turns out to have big and rapidly increasing coefficients. This makes correspondent estimates strongly dependent on the Borel–Leroy shift parameter b and prevents proper evaluation of R*10

Microscopic theory for coupled atomistic magnetization and lattice dynamics

Science.gov (United States)

Fransson, J.; Thonig, D.; Bessarab, P. F.; Bhattacharjee, S.; Hellsvik, J.; Nordström, L.

2017-12-01

A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The underlying microscopic model comprises local exchange interactions between the electron spin and magnetic moment and the local couplings between the electronic charge and lattice displacements. An effective action for the spin and lattice variables is constructed in which the interactions among the spin and lattice components are determined by the underlying electronic structure. In this way, expressions are obtained for the electronically mediated couplings between the spin and lattice degrees of freedom, besides the well known interatomic force constants and spin-spin interactions. These former susceptibilities provide an atomistic ab initio description for the coupled spin and lattice dynamics. It is important to notice that this theory is strictly bilinear in the spin and lattice variables and provides a minimal model for the coupled dynamics of these subsystems and that the two subsystems are treated on the same footing. Questions concerning time-reversal and inversion symmetry are rigorously addressed and it is shown how these aspects are absorbed in the tensor structure of the interaction fields. By means of these results regarding the spin-lattice coupling, simple explanations of ionic dimerization in double-antiferromagnetic materials, as well as charge density waves induced by a nonuniform spin structure, are given. In the final parts, coupled equations of motion for the combined spin and lattice dynamics are constructed, which subsequently can be reduced to a form which is analogous to the Landau-Lifshitz-Gilbert equations for spin dynamics and a damped driven mechanical oscillator for the ionic motion. It is important to notice, however, that these equations comprise contributions that couple these descriptions into one unified formulation. Finally, Kubo-like expressions for

The influence of interlayer exchange coupling in giant-magnetoresistive devices on spin diode effect in wide frequency range

Energy Technology Data Exchange (ETDEWEB)

Ziętek, Sławomir, E-mail: zietek@agh.edu.pl; Skowroński, Witold; Wiśniowski, Piotr; Czapkiewicz, Maciej; Stobiecki, Tomasz [Department of Electronics, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Kraków (Poland); Ogrodnik, Piotr [Department of Electronics, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Kraków (Poland); Faculty of Physics, Warsaw University of Technology, ul. Koszykowa 75, 00-662 Warszawa (Poland); Institute of Molecular Physics, Polish Academy of Sciences, ul. Smoluchowskiego 17, 60-179 Poznań (Poland); Barnaś, Józef [Institute of Molecular Physics, Polish Academy of Sciences, ul. Smoluchowskiego 17, 60-179 Poznań (Poland); Faculty of Physics, Adam Mickiewicz University, ul. Umultowska 85, 61-614 Poznań (Poland)

2015-09-21

Spin diode effect in a giant magnetoresistive strip is measured in a broad frequency range, including resonance and off-resonance frequencies. The off-resonance dc signal is relatively strong and also significantly dependent on the exchange coupling between magnetic films through the spacer layer. The measured dc signal is described theoretically by taking into account magnetic dynamics induced by Oersted field created by an ac current flowing through the system.

Coupled Organoclay/Micelle Action for the Adsorption of Diclofenac.

Science.gov (United States)

De Oliveira, Tiago; Guégan, Régis

2016-09-20

A Na-smectite clay mineral (Na-Mt) was exchanged with various amounts of benzyldimethyltetradecyl ammonium chloride cationic surfactant (BDTAC) up to four times the cation exchange capacity (CEC). The adsorption properties of these organoclays as well as a coupled micelle/organoclay process were evaluated to remove an anionic pharmaceutical product, the diclofenac (DCF), recognized as a recalcitrant compound for conventional water treatments and to be poorly adsorbed onto untreated clay mineral. The DCF affinity appears to depend on the lipophilic character of organoclays in correlation to the density of intercalated BDTA and is particularly enhanced for sorbent systems with free surfactant or micelle in solution. The combination of both organclay and BDTA in excess or micelle as a one pot adsorption system appears to be the most efficient material for the sequestration of DCF and other pharmaceutical products (PPs) with a KF Freundlich constant of 1.7 L g(-1) and no restriction of the adsorbed DCF amount as the linear adsorption isotherm shows. A BDTA hydrophobic core micelle coupled with a positive electric charge forms an organic complex with DCF that is properly intercalated within the interlayer space of BDTA-Mt organoclays as both Fourier transform infrared (FTIR) and X-ray diffraction (XRD) data supported.

Electron self-exchange in hemoglobins revealed by deutero-hemin substitution.

Science.gov (United States)

Athwal, Navjot Singh; Alagurajan, Jagannathan; Sturms, Ryan; Fulton, D Bruce; Andreotti, Amy H; Hargrove, Mark S

2015-09-01

Hemoglobins (phytoglobins) from rice plants (nsHb1) and from the cyanobacterium Synechocystis (PCC 6803) (SynHb) can reduce hydroxylamine with two electrons to form ammonium. The reaction requires intermolecular electron transfer between protein molecules, and rapid electron self-exchange might play a role in distinguishing these hemoglobins from others with slower reaction rates, such as myoglobin. A relatively rapid electron self-exchange rate constant has been measured for SynHb by NMR, but the rate constant for myoglobin is equivocal and a value for nsHb1 has not yet been measured. Here we report electron self-exchange rate constants for nsHb1 and Mb as a test of their role in hydroxylamine reduction. These proteins are not suitable for analysis by NMR ZZ exchange, so a method was developed that uses cross-reactions between each hemoglobin and its deutero-hemin substituted counterpart. The resulting electron transfer is between identical proteins with low driving forces and thus closely approximates true electron self-exchange. The reactions can be monitored spectrally due to the distinct spectra of the prosthetic groups, and from this electron self-exchange rate constants of 880 (SynHb), 2900 (nsHb1), and 0.05M(-1) s(-1) (Mb) have been measured for each hemoglobin. Calculations of cross-reactions using these values accurately predict hydroxylamine reduction rates for each protein, suggesting that electron self-exchange plays an important role in the reaction. Copyright © 2015 Elsevier Inc. All rights reserved.

Exotic baryonium exchanges

International Nuclear Information System (INIS)

Nicolescu, B.

1978-05-01

The prominent effects supposed to be associated with the exchange of exotic baryonium Regge trajectories are reviewed. The experimental presence of all expected effects leads to suggest that the baryonium exchange mechanism is a correct phenomenological picture and that mesons with isospin 2 or 3/2 or with strangeness 2, strongly coupled to the baryon-antibaryon channels, must be observed

PDF constraints and extraction of the strong coupling constant from the inclusive jet cross section at 7 TeV

CERN Document Server

CMS Collaboration

2013-01-01

The recent CMS measurement of the inclusive jet cross section at 7~TeV extends the accessible phase space in jet transverse momentum up to 2 TeV and ranges up to 2.5 in absolute jet rapidity. At the same time the experimental uncertainties are smaller than in previous publications such that these data constrain the parton distribution functions of the proton, notably for the gluon at high fractions of the proton momentum, and provide valuable input to determine the strong coupling at high momentum scales. The impact on the extraction of the parton distribution functions is investigated. Using predictions from theory at next-to-leading order, complemented with electroweak corrections, the strong coupling constant is determined from the inclusive jet cross section to be $\\alpha_S(M_Z) = 0.1185 \\pm 0.0019\\,\\mathrm{(exp.)} \\pm 0.0028\\,\\mathrm{(\\mathrm{PDF})} \\pm 0.0004\\,\\mathrm{(\\mathrm{NP})} ^{+0.0055}_{-0.0022}\\,\\mathrm{(\\mathrm{scale})}$, which is in agreement with the world average.

Preliminary SP-100/Stirling heat exchanger designs

International Nuclear Information System (INIS)

Schmitz, P.; Tower, L.; Blue, B.; Dunn, P.

1994-01-01

Analytic modeling of several heat exchanger concepts to couple the SP-100 nuclear reactor lithium loop and the Space Stirling Power Convertor (SSPC) was performed. Four 25 kWe SSPC's are used to produce the required 100 kW of electrical power. This design work focused on the interface between a single SSPC and the primary lithium loop. Manifolding to separate and collect the four channel flow was not modeled. This work modeled two separate types of heat exchanger interfaces (conductive coupling and radiative coupling) to explore their relative advantages and disadvantages. The minimum mass design of the conductively coupled concepts was 18 kg or 0.73 kg/kWe for a single 25 kWe convertor. The minimum mass radiatively coupled concept was 41 kg or 1.64 kg/kWe. The direct conduction heat exchanger provides a lighter weight system because of its ability to operate the Stirling convertor evaporator at higher heat fluxes than those attainable by the radiatively coupled systems. Additionally the conductively coupled concepts had relatively small volumes and provide potentially simpler assembly. Their disadvantages were the tight tolerances and material joining problems associated with this refractory to superalloy interface. The advantages of the radiatively coupled designs were the minimal material interface problems

Nonlinear coupled equations for electrochemical cells as developed by the general equation for nonequilibrium reversible-irreversible coupling.

Science.gov (United States)

Bedeaux, Dick; Kjelstrup, Signe; Öttinger, Hans Christian

2014-09-28

We show how the Butler-Volmer and Nernst equations, as well as Peltier effects, are contained in the general equation for nonequilibrium reversible and irreversible coupling, GENERIC, with a unique definition of the overpotential. Linear flux-force relations are used to describe the transport in the homogeneous parts of the electrochemical system. For the electrode interface, we choose nonlinear flux-force relationships. We give the general thermodynamic basis for an example cell with oxygen electrodes and electrolyte from the solid oxide fuel cell. In the example cell, there are two activated chemical steps coupled also to thermal driving forces at the surface. The equilibrium exchange current density obtains contributions from both rate-limiting steps. The measured overpotential is identified at constant temperature and stationary states, in terms of the difference in electrochemical potential of products and reactants. Away from these conditions, new terms appear. The accompanying energy flux out of the surface, as well as the heat generation at the surface are formulated, adding to the general thermodynamic basis.

Nonlinear coupled equations for electrochemical cells as developed by the general equation for nonequilibrium reversible-irreversible coupling

Science.gov (United States)

Bedeaux, Dick; Kjelstrup, Signe; Öttinger, Hans Christian

2014-09-01

We show how the Butler-Volmer and Nernst equations, as well as Peltier effects, are contained in the general equation for nonequilibrium reversible and irreversible coupling, GENERIC, with a unique definition of the overpotential. Linear flux-force relations are used to describe the transport in the homogeneous parts of the electrochemical system. For the electrode interface, we choose nonlinear flux-force relationships. We give the general thermodynamic basis for an example cell with oxygen electrodes and electrolyte from the solid oxide fuel cell. In the example cell, there are two activated chemical steps coupled also to thermal driving forces at the surface. The equilibrium exchange current density obtains contributions from both rate-limiting steps. The measured overpotential is identified at constant temperature and stationary states, in terms of the difference in electrochemical potential of products and reactants. Away from these conditions, new terms appear. The accompanying energy flux out of the surface, as well as the heat generation at the surface are formulated, adding to the general thermodynamic basis.

The strong coupling constant: its theoretical derivation from a geometric approach to hadron structure

International Nuclear Information System (INIS)

Recami, E.; Tonin-Zanchin, V.

1991-01-01

Since more than a decade, a bi-scale, unified approach to strong and gravitational interactions has been proposed, that uses the geometrical methods of general relativity, and yielded results similar to strong gravity theory's. We fix our attention, in this note, on hadron structure, and show that also the strong interaction strength α s, ordinarily called the (perturbative) coupling-constant square, can be evaluated within our theory, and found to decrease (increase) as the distance r decreases (increases). This yields both the confinement of the hadron constituents for large values of r, and their asymptotic freedom [for small values of r inside the hadron]: in qualitative agreement with the experimental evidence. In other words, our approach leads us, on a purely theoretical ground, to a dependence of α s on r which had been previously found only on phenomenological and heuristical grounds. We expect the above agreement to be also quantitative, on the basis of a few checks performed in this paper, and of further work of ours about calculating meson mass-spectra. (author)

Development of anion-exchange/reversed-phase high performance liquid chromatography-inductively coupled plasma-mass spectrometry methods for the speciation of bio-available iodine and bromine from edible seaweed.

Science.gov (United States)

Romarís-Hortas, Vanessa; Bermejo-Barrera, Pilar; Moreda-Piñeiro, Antonio

2012-05-04

Anion exchange high performance liquid chromatography hyphenated with inductively coupled plasma-mass spectrometry has been novelly applied to assess inorganic (iodide and iodate) and organic (3-iodotyrosine - MIT, and 3,5-diiodotyrosine - DIT) iodine species in a single chromatographic run. The optimized operating conditions (Dionex IonPac AS7, gradient elution with 175 mM ammonium nitrate plus 15% (v/v) methanol, pH 3.8, as a mobile phase and flow rates within the 0.5-1.5 mL min(-1) range) have also been used to perform inorganic bromine speciation analysis (bromide and bromate). The developed method has been applied for determining the bio-available contents of iodine and bromine species in dialyzates from edible seaweed. Reverse phase high performance liquid chromatography (Zorbax Eclipse XDB-C8, gradient elution with 0.2% (m/m) acetic acid, and 0.2% (m/m) acetic acid in methanol, as mobile phases, and a constant flow rate of 0.75 mL min(-1)) also hyphenated with inductively coupled plasma-mass spectrometry was used to confirm the presence of organic iodine species (MIT and DIT) in the dialyzates. The verification of the presence of iodinated amino acids (MIT and DIT) in the extracts was also performed by reverse phase high performance liquid chromatography-electrospray ionization-mass spectrometry (LTQ Orbitrap). The developed methods have provided good repeatability (RSD values lower than 10% for both anion exchange and reverse phase separations) and analytical recoveries within the 90-105% range for all cases. The in vitro bio-availability method consisted of a simulated gastric and an intestinal digestion/dialysis (10 kDa molecular weight cut-off - MWCO) two-stage procedure. Iodide and MIT were the main bio-available species quantified, whereas bromide was the major bromine species found in the extracts. Copyright © 2012 Elsevier B.V. All rights reserved.

Computing magnetic anisotropy constants of single molecule magnets

Indian Academy of Sciences (India)

We present here a theoretical approach to compute the molecular magnetic anisotropy parameters, and for single molecule magnets in any given spin eigenstate of exchange spin Hamiltonian. We first describe a hybrid constant -valence bond (VB) technique of solving spin Hamiltonians employing full spatial ...

Graviton fluctuations erase the cosmological constant

Science.gov (United States)

Wetterich, C.

2017-10-01

Graviton fluctuations induce strong non-perturbative infrared renormalization effects for the cosmological constant. The functional renormalization flow drives a positive cosmological constant towards zero, solving the cosmological constant problem without the need to tune parameters. We propose a simple computation of the graviton contribution to the flow of the effective potential for scalar fields. Within variable gravity, with effective Planck mass proportional to the scalar field, we find that the potential increases asymptotically at most quadratically with the scalar field. The solutions of the derived cosmological equations lead to an asymptotically vanishing cosmological "constant" in the infinite future, providing for dynamical dark energy in the present cosmological epoch. Beyond a solution of the cosmological constant problem, our simplified computation also entails a sizeable positive graviton-induced anomalous dimension for the quartic Higgs coupling in the ultraviolet regime, substantiating the successful prediction of the Higgs boson mass within the asymptotic safety scenario for quantum gravity.

Enhancement of exchange coupling interaction of NdFeB/MnBi hybrid magnets

Science.gov (United States)

Nguyen, Truong Xuan; Nguyen, Khanh Van; Nguyen, Vuong Van

2018-03-01

MnBi ribbons were fabricated by melt - spinning with subsequent annealing. The MnBi ribbons were ground and mixed with NdFeB commercial Magnequench powders (MQA). The hybrid powder mixtures were subjected thrice to the annealing and ball-milling route. The hybrid magnets (100 - x)NdFeB/xMnBi, x=0, 30, 40, 50 and 100 wt% were in-mold aligned in an 18 kOe magnetic field and warm compacted at 290 °C by 2000 psi uniaxial pressure for 10 min. An enhancement of the exchange coupling of NdFeB/MnBi hybrid magnets was obtained by optimizing the magnets' microstructures via annealing and ball-milling processes. The magnetic properties of prepared NdFeB/MnBi hybrid magnets were studied and discussed in details.

Chemical exchange equilibria in isotope separation. Part I : Evaluation of separation factors

International Nuclear Information System (INIS)

Dave, S.M.

1980-01-01

The theory of chemical exchange equilibria as applied to the isotope separation processes and the isotope effects on equilibrium constants of different exchange reactions has come a long way since its inception by Urey and Rittenberg. An attempt has been made to bring relevant information together and present a unified approach to isotopic chemical exchange equilibrium constant evaluation and its implications to separation processes. (auth.)

Water Exchange Rate Constant as a Biomarker of Treatment Efficacy in Patients With Brain Metastases Undergoing Stereotactic Radiosurgery

International Nuclear Information System (INIS)

Mehrabian, Hatef; Desmond, Kimberly L.; Chavez, Sofia; Bailey, Colleen; Rola, Radoslaw; Sahgal, Arjun; Czarnota, Gregory J.; Soliman, Hany; Martel, Anne L.; Stanisz, Greg J.

2017-01-01

Purpose: This study was designed to evaluate whether changes in metastatic brain tumors after stereotactic radiosurgery (SRS) can be seen with quantitative MRI early after treatment. Methods and Materials: Using contrast-enhanced MRI, a 3-water-compartment tissue model consisting of intracellular (I), extracellular-extravascular (E), and vascular (V) compartments was used to assess the intra–extracellular water exchange rate constant (k IE ), efflux rate constant (k ep ), and water compartment volume fractions (M 0,I , M 0,E , M 0,V ). In this prospective study, 19 patients were MRI-scanned before treatment and 1 week and 1 month after SRS. The change in model parameters between the pretreatment and 1-week posttreatment scans was correlated to the change in tumor volume between pretreatment and 1-month posttreatment scans. Results: At 1 week k IE differentiated (P<.001) tumors that had partial response from tumors with stable and progressive disease, and a high correlation (R=−0.76, P<.001) was observed between early changes in the k IE and tumor volume change 1 month after treatment. Other model parameters had lower correlation (M 0,E ) or no correlation (k ep , M 0,V ). Conclusions: This is the first study that measured k IE early after SRS, and it found that early changes in k IE (1 week after treatment) highly correlated with long-term tumor response and could predict the extent of tumor shrinkage at 1 month after SRS.

Modelling non-steady-state isotope enrichment of leaf water in a gas-exchange cuvette environment.

Science.gov (United States)

Song, Xin; Simonin, Kevin A; Loucos, Karen E; Barbour, Margaret M

2015-12-01

The combined use of a gas-exchange system and laser-based isotope measurement is a tool of growing interest in plant ecophysiological studies, owing to its relevance for assessing isotopic variability in leaf water and/or transpiration under non-steady-state (NSS) conditions. However, the current Farquhar & Cernusak (F&C) NSS leaf water model, originally developed for open-field scenarios, is unsuited for use in a gas-exchange cuvette environment where isotope composition of water vapour (δv ) is intrinsically linked to that of transpiration (δE ). Here, we modified the F&C model to make it directly compatible with the δv -δE dynamic characteristic of a typical cuvette setting. The resultant new model suggests a role of 'net-flux' (rather than 'gross-flux' as suggested by the original F&C model)-based leaf water turnover rate in controlling the time constant (τ) for the approach to steady sate. The validity of the new model was subsequently confirmed in a cuvette experiment involving cotton leaves, for which we demonstrated close agreement between τ values predicted from the model and those measured from NSS variations in isotope enrichment of transpiration. Hence, we recommend that our new model be incorporated into future isotope studies involving a cuvette condition where the transpiration flux directly influences δv . There is an increasing popularity among plant ecophysiologists to use a gas-exchange system coupled to laser-based isotope measurement for investigating non-steady state (NSS) isotopic variability in leaf water (and/or transpiration); however, the current Farquhar & Cernusak (F&C) NSS leaf water model is unsuited for use in a gas-exchange cuvette environment due to its implicit assumption of isotope composition of water vapor (δv ) being constant and independent of that of transpiration (δE ). In the present study, we modified the F&C model to make it compatible with the dynamic relationship between δv and δE as is typically associated

Preparation of n-qubit Greenberger-Horne-Zeilinger entangled states in cavity QED: An approach with tolerance to nonidentical qubit-cavity coupling constants

International Nuclear Information System (INIS)

Yang Chuiping

2011-01-01

We propose a way for generating n-qubit Greenberger-Horne-Zeilinger (GHZ) entangled states with a three-level qubit system and (n-1) four-level qubit systems in a cavity. This proposal does not require identical qubit-cavity coupling constants and thus is tolerant to qubit-system parameter nonuniformity and nonexact placement of qubits in a cavity. The proposal does not require adjustment of the qubit-system level spacings during the entire operation. Moreover, it is shown that entanglement can be deterministically generated using this method and the operation time is independent of the number of qubits. The present proposal is quite general, which can be applied to physical systems such as various types of superconducting devices coupled to a resonator or atoms trapped in a cavity.

Varying Constants, Gravitation and Cosmology

Directory of Open Access Journals (Sweden)

Jean-Philippe Uzan

2011-03-01

Full Text Available Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

Colour-singlet exchange and tests of models of diffractive DIS

International Nuclear Information System (INIS)

Williams, J.C.

2000-03-01

Diffractive deep-inelastic scattering events observed at the HERA electron-proton collider are interpreted as an interaction involving a virtual photon scattering off a colour-singlet state within the proton. Models which attempt to describe the colour-singlet exchanged in diffractive interactions range from the purely phenomenological Donnachie-Landshoff form factor approach to the QCD-motivated gluon-exchange models and the scalar-pomeron model. It is important to find ways to test these models. In this thesis colour-singlet exchange models of diffractive DIS are compared with cross section and structure function data from the H1 detector. H1 select diffractive data by requiring there to be a large angle between the forward proton direction and any other significant detector activity. This pseudo-rapidity gap cut extracts colour-singlet exchange events from the standard DIS data sample. For a wide range of the parameter space covered by the HERA experiments, however, the pseudo-rapidity gap cuts restrict the final-state phase space available for diffractive scattering. One consequence is that pseudo-rapidity gap cuts can be used to select diffractive events in which the colour-singlet only couples to off-shell partons. To leading order in the strong coupling constant, the diffractive final state consists of a quark-antiquark pair. Higher-order events include diffractive production of quark-antiquark-gluon states. In the region where pseudo-rapidity gap cuts restrict the accessible phase space, the cuts reject low transverse momentum quark-antiquark diffractive events. Pseudo-rapidity gap data selection cuts also allow selection of an enhanced 3-jet data sample. The structure function and transverse momentum distribution data can be described by either a two-gluon model or by the Donnachie-Landshoff model, both models requiring a significant contribution from quark-antiquark-gluon diffractive final states to fit the full kinematic range of the diffractive data

Isotope anomalies in oxygen isotope exchange equilibrium systems

International Nuclear Information System (INIS)

Kotaka, M.

1997-01-01

The purpose of the present work is to elucidate the isotope anomalies in oxygen isotope exchange equilibrium systems, according to the calculations of the equilibrium constants for oxygen isotopic exchange reactions, and the calculations of the oxygen isotope separation factors between two phases. The equilibrium constants (K65, K67, K68 and K69) of 16 O- 15 O, 16 O 17 O, 16 O- 18 O, and 16 O- 19 O exchange reactions between diatomic oxides were calculated in a wide temperature range on the basis of quantum statistical mechanics. Many equilibrium constants showed the anomalous mass effects, and then had the crossover temperatures and the mass independent fractionation (MIF) temperatures which held K67 = K65, K67 = K68, or K67 = K69, etc. For example, the equilibrium constants for the reactions between OH and the other diatomic oxides (MO) showed the anomalous mass effects, when M was Li, Na, Mg, K, Fe, Al, Ge, Zr, Pt, etc. The 16 O 15 O, 16 O 17 O, 16 O- 18 O, and 16 O- 19 O oxygen isotope separation factors (S65, S67, S68 and S69) between two phases were calculated, when OH and CO were in the first phase, and SiO was in the second phase. Although the oxygen isotopic exchange equilibria in the two phases had no MIF and crossover temperatures, the separation factors showed the anomalous mass effects and had the temperatures. According to what is called the normal mass effects for the equilibrium constant of isotopic exchange reaction, the value of InK68/InK67 is 1.885. Therefore, the value of InS68/InS67 should be 1.885 too. The value calculated, however, widely changed. It can be concluded from the results obtained in the present work that some oxygen isotopic exchange equilibria cause the anomalous mass effects, the anomalous oxygen isotope separation factors, and then isotope anomalies