Science.gov

Sample records for exchange coupled pairs

  1. Spin signatures of exchange-coupled triplet pairs formed by singlet fission

    NASA Astrophysics Data System (ADS)

    Bayliss, Sam L.; Weiss, Leah R.; Rao, Akshay; Friend, Richard H.; Chepelianskii, Alexei D.; Greenham, Neil C.

    2016-07-01

    We study the effect of an exchange interaction on the magnetic-field-dependent photoluminescence in singlet fission materials. We show that, for strongly interacting triplet exciton pairs (intertriplet exchange interaction greater than the intratriplet spin-dipolar interaction), quantum beating and magnetic-field effects vanish apart from at specific magnetic fields where singlet and quintet levels are mixed by a level anticrossing. We characterize these effects and show that the absence of a magnetic-field effect or zero-field quantum beats does not necessarily mean that fission is inoperative. These results call for a reconsideration of the observations that are considered hallmarks of singlet fission and demonstrate how the spin coherence and exchange coupling of interacting triplet pairs can be measured through magneto-photoluminescence experiments.

  2. Quantifying exchange coupling in f-ion pairs using the diamagnetic substitution method

    SciTech Connect

    Lukens, Wayne W.; Walter, Marc D.

    2010-04-01

    One of the challenges in the chemistry of actinide and lanthanide (f-ion) is quantifying exchange coupling between f-ions. While qualitative information about exchange coupling may be readily obtained using the diamagnetic substitution approach, obtaining quantitative information is much more difficult. This article describes how exchange coupling may be quantified using the susceptibility of a magnetically isolated analog, as in the diamagnetic substitution approach, along with the anisotropy of the ground state as determined by EPR spectroscopy. Several examples are used to illustrate and test this approach.

  3. Anomalous photon-gauge boson coupling contribution to the exclusive vector boson pair production from two photon exchange in pp collisions at 13 TeV

    SciTech Connect

    Martins, D. E.; Vilela Pereira, A.; Sá Borges, J.; Rebello Teles, P.

    2015-04-10

    We study the W and Z pair production from two-photon exchange in proton-proton collisions at the LHC in order to evaluate the contributions of anomalous photon-gauge boson couplings, that simulates new particles and couplings predicted in many Standard Model (SM) extensions. The experimental results of W{sup +} W{sup −} exclusive production (pp → pW{sup +}W{sup −} p) at 7 TeV from the CMS collaboration [1] updates the experimental limits on anomalous couplings obtained at the Large Electron-Positron Collider (LEP). This motivates our present analysis hopefully anticipating the expected results using the Precision Proton Spectrometer (PPS) to be installed as part of CMS. In this work, we consider the W{sup +}W{sup −} exclusive production to present the p{sub T} distribution of the lepton pair corresponding to the SM signal with p{sub T} (e, μ) > 10 GeV. Next, we consider the photon-gauge boson anomalous couplings by calculating, from the FPMC and MadGraph event generators, the process γγ → W{sup +}W{sup −} from a model with gauge boson quartic couplings, by considering a 1 TeV scale for new physical effects. We present our results for an integrated luminosity of 5 fb{sup −1} at center-of-mass energy of 7 TeV and for an integrated luminosity of 100 fb{sup −1} at 13 TeV. We present our preliminary results for Z pair exclusive production from two-photon exchange with anomalous couplings, where the ZZγγ quartic coupling is absent in the SM. We calculate the total cross section for the exclusive process and present the four lepton invariant mass distribution. Finally we present an outlook for the present analysis.

  4. Anomalous photon-gauge boson coupling contribution to the exclusive vector boson pair production from two photon exchange in pp collisions at 13 TeV

    NASA Astrophysics Data System (ADS)

    Martins, D. E.; Rebello Teles, P.; Vilela Pereira, A.; Sá Borges, J.

    2015-04-01

    We study the W and Z pair production from two-photon exchange in proton-proton collisions at the LHC in order to evaluate the contributions of anomalous photon-gauge boson couplings, that simulates new particles and couplings predicted in many Standard Model (SM) extensions. The experimental results of W+ W- exclusive production (pp → pW+W- p) at 7 TeV from the CMS collaboration [1] updates the experimental limits on anomalous couplings obtained at the Large Electron-Positron Collider (LEP). This motivates our present analysis hopefully anticipating the expected results using the Precision Proton Spectrometer (PPS) to be installed as part of CMS. In this work, we consider the W+W- exclusive production to present the pT distribution of the lepton pair corresponding to the SM signal with pT (e, μ) > 10 GeV. Next, we consider the photon-gauge boson anomalous couplings by calculating, from the FPMC and MadGraph event generators, the process γγ → W+W- from a model with gauge boson quartic couplings, by considering a 1 TeV scale for new physical effects. We present our results for an integrated luminosity of 5 fb-1 at center-of-mass energy of 7 TeV and for an integrated luminosity of 100 fb-1 at 13 TeV. We present our preliminary results for Z pair exclusive production from two-photon exchange with anomalous couplings, where the ZZγγ quartic coupling is absent in the SM. We calculate the total cross section for the exclusive process and present the four lepton invariant mass distribution. Finally we present an outlook for the present analysis.

  5. Pair extended coupled cluster doubles

    SciTech Connect

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

    2015-06-07

    The accurate and efficient description of strongly correlated systems remains an important challenge for computational methods. Doubly occupied configuration interaction (DOCI), in which all electrons are paired and no correlations which break these pairs are permitted, can in many cases provide an accurate account of strong correlations, albeit at combinatorial computational cost. Recently, there has been significant interest in a method we refer to as pair coupled cluster doubles (pCCD), a variant of coupled cluster doubles in which the electrons are paired. This is simply because pCCD provides energies nearly identical to those of DOCI, but at mean-field computational cost (disregarding the cost of the two-electron integral transformation). Here, we introduce the more complete pair extended coupled cluster doubles (pECCD) approach which, like pCCD, has mean-field cost and reproduces DOCI energetically. We show that unlike pCCD, pECCD also reproduces the DOCI wave function with high accuracy. Moreover, pECCD yields sensible albeit inexact results even for attractive interactions where pCCD breaks down.

  6. Exchange coupling between laterally adjacent nanomagnets

    NASA Astrophysics Data System (ADS)

    Dey, H.; Csaba, G.; Bernstein, G. H.; Porod, W.

    2016-09-01

    We experimentally demonstrate exchange-coupling between laterally adjacent nanomagnets. Our results show that two neighboring nanomagnets that are each antiferromagnetically exchange-coupled to a common ferromagnetic bottom layer can be brought into strong ferromagnetic interaction. Simulations show that interlayer exchange coupling effectively promotes ferromagnetic alignment between the two nanomagnets, as opposed to antiferromagnetic alignment due to dipole-coupling. In order to experimentally demonstrate the proposed scheme, we fabricated arrays of pairs of elongated, single-domain nanomagnets. Magnetic force microscopy measurements show that most of the pairs are ferromagnetically ordered. The results are in agreement with micromagnetic simulations. The presented scheme can achieve coupling strengths that are significantly stronger than dipole coupling, potentially enabling far-reaching applications in Nanomagnet Logic, spin-wave devices and three-dimensional storage and computing.

  7. Seniority zero pair coupled cluster doubles theory

    SciTech Connect

    Stein, Tamar; Henderson, Thomas M.; Scuseria, Gustavo E.

    2014-06-07

    Coupled cluster theory with single and double excitations accurately describes weak electron correlation but is known to fail in cases of strong static correlation. Fascinatingly, however, pair coupled cluster doubles (p-CCD), a simplified version of the theory limited to pair excitations that preserve the seniority of the reference determinant (i.e., the number of unpaired electrons), has mean field computational cost and is an excellent approximation to the full configuration interaction (FCI) of the paired space provided that the orbital basis defining the pairing scheme is adequately optimized. In previous work, we have shown that optimization of the pairing scheme in the seniority zero FCI leads to a very accurate description of static correlation. The same conclusion extends to p-CCD if the orbitals are optimized to make the p-CCD energy stationary. We here demonstrate these results with numerous examples. We also explore the contributions of different seniority sectors to the coupled cluster doubles (CCD) correlation energy using different orbital bases. We consider both Hartree-Fock and Brueckner orbitals, and the role of orbital localization. We show how one can pair the orbitals so that the role of the Brueckner orbitals at the CCD level is retained at the p-CCD level. Moreover, we explore ways of extending CCD to accurately describe strongly correlated systems.

  8. Series-Coupled Pairs of Silica Microresonators

    NASA Technical Reports Server (NTRS)

    Savchenkov, Anatoliy; Iltchenko, Vladimir; Maleki, Lute; Handley, Tim

    2009-01-01

    Series-coupled pairs of whispering-gallery-mode optical microresonators have been demonstrated as prototypes of stable, narrow-band-pass photonic filters. Characteristics that are generally considered desirable in a photonic or other narrow-band-pass filter include response as nearly flat as possible across the pass band, sharp roll-off, and high rejection of signals outside the pass band. A single microresonator exhibits a Lorentzian filter function: its peak response cannot be made flatter and its roll-off cannot be made sharper. However, as a matter of basic principle applicable to resonators in general, it is possible to (1) use multiple resonators, operating in series or parallel, to obtain a roll-off sharper, and out-of-band rejection greater, relative to those of a Lorentzian filter function and (2) to make the peak response (the response within the pass band) flatter by tuning the resonators to slightly different resonance frequencies that span the pass band. The first of the two microresonators in each series-coupled pair was a microtorus made of germania-doped silica (containing about 19 mole percent germania), which is a material used for the cores of some optical fibers. The reasons for choosing this material is that exposing it to ultraviolet light causes it to undergo a chemical change that changes its index of refraction and thereby changes the resonance frequency. Hence, this material affords the means to effect the desired slight relative detuning of the two resonators. The second microresonator in each pair was a microsphere of pure silica. The advantage of making one of the resonators a torus instead of a sphere is that its spectrum of whispering-gallery-mode resonances is sparser, as needed to obtain a frequency separation of at least 100 GHz between resonances of the filter as a whole.

  9. Accurate theoretical chemistry with coupled pair models.

    PubMed

    Neese, Frank; Hansen, Andreas; Wennmohs, Frank; Grimme, Stefan

    2009-05-19

    almost forgotten) of this class of methods, the coupled-electron pair approximation (CEPA), performs exceedingly well in chemical applications. In this Account, we examine the performance of CEPA in chemical applications. One attractive feature of CEPA, in addition to its surprising accuracy that surpasses that of DFT and MP2 theory, is a simplicity that allows for straightforward and very efficient approximations and extensions to be developed; these are much more difficult or even impossible with the more rigorous CC theory. Thus, approximate CEPA methods can be implemented efficiently enough to allow for calculations on molecules of 50-100 atoms, perhaps the most common range in contemporary chemical research.

  10. Excitonic couplings between molecular crystal pairs by a multistate approximation

    SciTech Connect

    Aragó, Juan Troisi, Alessandro

    2015-04-28

    In this paper, we present a diabatization scheme to compute the excitonic couplings between an arbitrary number of states in molecular pairs. The method is based on an algebraic procedure to find the diabatic states with a desired property as close as possible to that of some reference states. In common with other diabatization schemes, this method captures the physics of the important short-range contributions (exchange, overlap, and charge-transfer mediated terms) but it becomes particularly suitable in presence of more than two states of interest. The method is formulated to be usable with any level of electronic structure calculations and to diabatize different types of states by selecting different molecular properties. These features make the diabatization scheme presented here especially appropriate in the context of organic crystals, where several excitons localized on the same molecular pair may be found close in energy. In this paper, the method is validated on the tetracene crystal dimer, a well characterized case where the charge transfer (CT) states are closer in energy to the Frenkel excitons (FE). The test system was studied as a function of an external electric field (to explore the effect of changing the relative energy of the CT excited state) and as a function of different intermolecular distances (to probe the strength of the coupling between FE and CT states). Additionally, we illustrate how the approximation can be used to include the environment polarization effect.

  11. Couples, Pairs, and Clusters: Mechanisms and Implications of Centromere Associations in Meiosis

    PubMed Central

    Obeso, David; Pezza, Roberto J; Dawson, Dean

    2013-01-01

    Observations from a wide range of organisms show the centromeres form associations of pairs or small groups at different stages of meiotic prophase. Little is known about the functions or mechanisms of these associations, but in many cases synaptonemal complex elements seem to play a fundamental role. Two main associations are observed: homology-independent associations very early in the meiotic program – sometimes referred to as centromere coupling, and a later association of homologous centromeres, referred to as centromere pairing or tethering. The later centromere pairing initiates during synaptonemal complex assembly, then persists after the dissolution of the synaptonemal complex. While the function of the homology-independent centromere coupling remains a mystery, centromere pairing appears to have a direct impact on the chromosome segregation fidelity of achiasmatic chromosomes. Recent work in yeast, Drosophila, and mice suggest centromere pairing is a previously unappreciated, general meiotic feature that may promote meiotic segregation fidelity of the exchange and non-exchange chromosomes. PMID:24126501

  12. Implementing Diffie-Hellman key exchange using quantum EPR pairs

    NASA Astrophysics Data System (ADS)

    Mandal, Sayonnha; Parakh, Abhishek

    2015-05-01

    This paper implements the concepts of perfect forward secrecy and the Diffie-Hellman key exchange using EPR pairs to establish and share a secret key between two non-authenticated parties and transfer messages between them without the risk of compromise. Current implementations of quantum cryptography are based on the BB84 protocol, which is susceptible to siphoning attacks on the multiple photons emitted by practical laser sources. This makes BB84-based quantum cryptography protocol unsuitable for network computing environments. Diffie-Hellman does not require the two parties to be mutually authenticated to each other, yet it can provide a basis for a number of authenticated protocols, most notably the concept of perfect forward secrecy. The work proposed in this paper provides a new direction in utilizing quantum EPR pairs in quantum key exchange. Although, classical cryptography boasts of efficient and robust protocols like the Diffie-Hellman key exchange, in the current times, with the advent of quantum computing they are very much vulnerable to eavesdropping and cryptanalytic attacks. Using quantum cryptographic principles, however, these classical encryption algorithms show more promise and a more robust and secure structure for applications. The unique properties of quantum EPR pairs also, on the other hand, go a long way in removing attacks like eavesdropping by their inherent nature of one particle of the pair losing its state if a measurement occurs on the other. The concept of perfect forward secrecy is revisited in this paper to attribute tighter security to the proposed protocol.

  13. Interlayer exchange coupling across a ferroelectric barrier.

    PubMed

    Zhuravlev, M Ye; Vedyayev, A V; Tsymbal, E Y

    2010-09-01

    A new magnetoelectric effect is predicted originating from the interlayer exchange coupling between two ferromagnetic layers separated by an ultrathin ferroelectric barrier. It is demonstrated that ferroelectric polarization switching driven by an external electric field leads to a sizable change in the interlayer exchange coupling. The effect occurs in asymmetric ferromagnet/ferroelectric/ferromagnet junctions due to a change in the electrostatic potential profile across the junction affecting the interlayer coupling. The predicted phenomenon indicates the possibility of switching the magnetic configuration by reversing the polarization of the ferroelectric barrier layer. PMID:21403276

  14. Antiferromagnetic exchange and spin-fluctuation pairing in cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Plakida, Nikolay M.

    2006-01-01

    A microscopic theory of superconductivity is formulated within an effective p-d Hubbard model for a CuO2 plane. By applying the Mori-type projection technique, the Dyson equation is derived for the Green functions in terms of Hubbard operators. The antiferromagnetic exchange caused by interband hopping results in pairing of all carries in the conduction subband and high Tc proportional to the Fermi energy. Kinematic interaction in intraband hopping is responsible for the conventional spin-fluctuation pairing. Numerical solution of the gap equation proves the d-wave gap symmetry and defines Tc doping dependence. Oxygen isotope shift and pressure dependence of Tc are also discussed.

  15. Exchange coupled ferrite nanocomposites through chemical synthesis.

    PubMed

    Dai, Qilin; Patel, Ketan; Ren, Shenqiang

    2016-08-16

    Exchange coupling between magnetically hard and soft phases has the potential to yield a large gain in the energy product. In this work, we present a scalable chemical synthetic route to produce magnetic iron oxide based nanocomposites, consisting of cobalt ferrite (CoFe2O4) and strontium ferrite (SrFe12O19) components. PMID:27476744

  16. Communication: Improved pair approximations in local coupled-cluster methods

    SciTech Connect

    Schwilk, Max; Werner, Hans-Joachim; Usvyat, Denis

    2015-03-28

    In local coupled cluster treatments the electron pairs can be classified according to the magnitude of their energy contributions or distances into strong, close, weak, and distant pairs. Different approximations are introduced for the latter three classes. In this communication, an improved simplified treatment of close and weak pairs is proposed, which is based on long-range cancellations of individually slowly decaying contributions in the amplitude equations. Benchmark calculations for correlation, reaction, and activation energies demonstrate that these approximations work extremely well, while pair approximations based on local second-order Møller-Plesset theory can lead to errors that are 1-2 orders of magnitude larger.

  17. Micro-fluid exchange coupling apparatus

    NASA Technical Reports Server (NTRS)

    Johnson, J. E., Jr.; Swartz, P. F. (Inventor)

    1980-01-01

    In a macro-fluid exchange, a hollow needle, such as a syringe needle, is provided for penetrating the fluid conduit of the animal. The syringe needle is coupled to a plenum chamber having an inlet and outlet port. The plenum chamber is coupled to the syringe needle via the intermediary of a standard quick disconnect coupling fitting. The plenum chamber is carried at the end of a drive rod which is coupled to a micrometer drive head. The micrometer drive head is slidably and pivotably coupled to a pedestal for adjusting the height and angle of inclination of the needle relative to a reference base support. The needle is positioned adjacent to the incised trachea or a blood vessel of a small animal and the micrometer drive head is operated for penetrating the fluid conduit of the animal.

  18. Magnetic stability of novel exchange coupled systems

    SciTech Connect

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

    1999-11-08

    The magnetic stability of two different interracial exchange coupled systems are 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 Fe/Cr double-superlattice exchange biased systems, small but rapid initial decay of exchange bias field H{sub E} and the remanent magnetization is observed. Also the Sin-Co/Fe bilayers grown epitaxially with uniaxial in-plane anisotropy show similar decay. However, the H{sub E} of biaxial and random in-plane bilayers, shows gradual decay without large reduction of the magnetization. These different decay behaviors explained by their different microstructure and interracial spin configurations.

  19. Singlet-paired coupled cluster theory for open shells.

    PubMed

    Gomez, John A; Henderson, Thomas M; Scuseria, Gustavo E

    2016-06-28

    Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior for strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference. PMID:27369507

  20. Linearly coupled oscillations in fully degenerate pair and warm pair-ion astrophysical plasmas

    NASA Astrophysics Data System (ADS)

    Khan, S. A.; Ilyas, M.; Wazir, Z.; Ehsan, Zahida

    2014-08-01

    In this paper we study the coexisting low frequency oscillations in strongly degenerate, magnetized, (electron-positron) pair and warm pair-ion plasma. The dispersion relations are obtained for both the cases in macroscopic quantum hydrodynamics approximation. In pair-ion case, the dispersion equation shows coupling of electrostatic and (shear) electromagnetic modes under certain circumstances with important role of ion temperature. Domain of existence of such waves and their relevance to dense degenerate astrophysical plasmas is pointed out. Results are analyzed numerically for typical systems with variation of ion concentration and ion temperature.

  1. Long distance coupling of resonant exchange qubits

    NASA Astrophysics Data System (ADS)

    Russ, Maximilian; Burkard, Guido

    2015-11-01

    We investigate the effectiveness of a microwave cavity as a mediator of interactions between two resonant exchange (RX) qubits in semiconductor quantum dots (QDs) over long distances, limited only by the extension of the cavity. Our interaction model includes the orthonormalized Wannier orbitals constructed from Fock-Darwin states under the assumption of a harmonic QD confinement potential. We calculate the qubit-cavity coupling strength in a Jaynes-Cummings Hamiltonian and find that dipole transitions between two states with an asymmetric charge configuration constitute the relevant RX qubit-cavity coupling mechanism. The effective coupling between two RX qubits in a shared cavity yields a universal two-qubit iswap gate with gate times on the order of nanoseconds over distances on the order of up to a millimeter.

  2. Long distance coupling of resonant exchange qubits

    NASA Astrophysics Data System (ADS)

    Russ, Maximilian; Burkard, Guido

    We investigate the effectiveness of a microwave cavity as a mediator of interactions between two resonant exchange (RX) qubits in semiconductor quantum dots (QDs) over long distances, limited only by the extension of the cavity. Our interaction model includes the orthonormalized Wannier orbitals constructed from Fock-Darwin states under the assumption of a harmonic QD confinement potential. We calculate the qubit-cavity coupling strength gr in a Jaynes Cummings Hamiltonian, and find that dipole transitions between two states with an asymmetric charge configuration constitute the relevant RX qubit-cavity coupling mechanism. The effective coupling between two RX qubits in a shared cavity yields a universal two-qubit iSWAP-gate with gate times on the order of nanoseconds over distances on the order of up to a millimeter. Funded by ARO through Grant No. W911NF-15-1-0149.

  3. Oscillatory exchange coupling in all compound superlattice

    NASA Astrophysics Data System (ADS)

    Orozco, Antonio

    2000-03-01

    Oscillatory exchange coupling was observed in TiN/Fe_3O4 superlattices [1], similar to that found in metallic superlattices, with a coupling strength almost an order of magnitude stronger. In addition, a unique positive magnetoresistance effect is also seen. The dynamics of carriers in the modulated structures, responsible for the exchage coupling and the magnetotransport, are strongly influenced by the band structure matching and the available Fermi surface states [2]. The carriers quantum confinement effects, enhanced by the half metallicity of the magnetic layers, provides a physical picture for understanding these observations [1] A. Orozco et al., Phys. Rev. Lett. 83 (1999) 1680 [2] P. Bruno, Phys. Rev. B 52 (1995) 411

  4. Paired kidney exchange transplantation: Maximizing the donor pool

    PubMed Central

    Jha, P. K.; Sethi, S.; Bansal, S. B.; Jain, M.; Sharma, R.; Phanish, M. K.; Duggal, R.; Ahlawat, R.; Kher, V.

    2015-01-01

    In the last decade, paired kidney exchange (PKE) transplantation has gained popularity worldwide as a viable alternative for end stage renal disease (ESRD) patients who have incompatible or sensitized donors. This study presents our experience with PKE transplantation and compares outcome between PKE and non-PKE renal transplant recipients. Between February 2010 and November 2013, 742 transplants were performed, of which 26 (3.5%) were PKE transplantations. All were two-way exchanges. PKE recipients were significantly older than non-PKE (46.73 ± 9.71 vs. 40.08 ± 13.36 years; P = 0.012) while donor ages were comparable. PKE patients had significantly higher number of HLA mismatches (5.03 ± 1.14 vs. 3.49 ± 1.57; P < 0.0001). After a median follow-up of 20 months (range: 3–47 months), there was no significant difference in patient survival (PKE 96.16% vs. non-PKE 96.65%; P = 0.596) and death censored graft survival (PKE 96.16% vs. non-PKE 96.37%; P = 1). Mean serum creatinine at 1 month and at last follow-up was lower in PKE versus non-PKE group (0.98 ± 0.33 vs. 1.3 ± 0.61 mg/dl; P = 0.008 and 0.96 ± 0.30 vs. 1.27 ± 0.57 mg/dl, P = 0.006, respectively). Biopsy proven acute rejection rate was 11.5% in PKE group and 16.89% in non-PKE patients (P = 0.6). To conclude, paired kidney donation is an excellent way of increasing the donor pool and needs to be promoted to overcome the shortage of suitable kidney in our country. PMID:26664210

  5. Generation of hyper-entangled photon pairs in coupled microcavities

    NASA Astrophysics Data System (ADS)

    Portolan, S.; Einkemmer, L.; Vörös, Z.; Weihs, G.; Rabl, P.

    2014-06-01

    We propose and theoretically analyze a new scheme for generating hyper-entangled photon pairs (EPPs) in a system of polaritons in coupled planar microcavities. Starting from a microscopic model, we evaluate the relevant parametric scattering processes and numerically simulate the phonon-induced noise background under continuous-wave excitation. Our results show that, compared to other polariton entanglement proposals, our scheme enables the generation of photon pairs that are entangled in both the path and polarization degrees of freedom, and simultaneously leads to a strong reduction in the photoluminescence noise background. This can significantly improve the fidelity of the EPPs under realistic experimental conditions.

  6. Synergy between pair coupled cluster doubles and pair density functional theory

    SciTech Connect

    Garza, Alejandro J.; Bulik, Ireneusz W.; Henderson, Thomas M.; Scuseria, Gustavo E.

    2015-01-28

    Pair coupled cluster doubles (pCCD) has been recently studied as a method capable of accounting for static correlation with low polynomial cost. We present three combinations of pCCD with Kohn–Sham functionals of the density and on-top pair density (the probability of finding two electrons on top of each other) to add dynamic correlation to pCCD without double counting. With a negligible increase in computational cost, these pCCD+DFT blends greatly improve upon pCCD in the description of typical problems where static and dynamic correlations are both important. We argue that—as a black-box method with low scaling, size-extensivity, size-consistency, and a simple quasidiagonal two-particle density matrix—pCCD is an excellent match for pair density functionals in this type of fusion of multireference wavefunctions with DFT.

  7. Dynamics of a coupled spin-vortex pair in dipolar spinor Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Li, Tiantian; Yi, Su; Zhang, Yunbo

    2016-05-01

    The collisional and magnetic field quench dynamics of a coupled spin-vortex pair in dipolar spinor Bose-Einstein condensates in a double-well potential are numerically investigated in the mean-field theory. Upon a sudden release of the potential barrier the two layers of condensates collide with each other in the trap center with the chirality of the vortex pair exchanged after each collision, showing the typical signature of in-phase collision for the parallel spin-vortex phase, and out-of-phase collision for the antiparallel phase. When quenching the transverse magnetic field, the vortex center in the single-layered condensate starts to make a helical motion with oval-shaped trajectories and the displacement of the center position is found to exhibit a damped simple harmonic oscillation with an intrinsic frequency and damping rate. The oscillation mode of the spin-vortex pair may be tuned by the initial magnetic field and the height of the Gaussian barrier; e.g., the gyrotropic motions for a parallel spin-vortex pair are out of sync with each other in the two layers, while those for the antiparallel pair exhibit a double-helix structure with the vortex centers moving opposite to each other with the same amplitude.

  8. Effect of charge delocalization on radical ion pair electronic coupling

    NASA Astrophysics Data System (ADS)

    Sinks, Louise E.; Weiss, Emily A.; Giaimo, Jovan M.; Wasielewski, Michael R.

    2005-03-01

    Photoinduced charge separation and recombination were studied in a series of covalent donor-acceptor triads consisting of aniline, 1-aminonaphthalene, or 9-aminoanthracene donors (D) attached to a 4-aminonaphthalene-1,8-dicarboximide chromophore (ANI), which in turn is attached to a naphthalene-1,4:5,8-bis(dicarboximide) acceptor (NI) to give D-ANI-NI. The relationship between the molecular structure of D + rad and the magnitude of the electronic coupling between the radicals within D + rad -ANI-NI - rad was probed by direct measurements of the spin-spin exchange interaction, 2J, using magnetic field effects on the yield of the neutral triplet state resulting from charge recombination and by density functional theory calculations.

  9. Optimal Decisions for Organ Exchanges in a Kidney Paired Donation Program.

    PubMed

    Li, Yijiang; Song, Peter X-K; Zhou, Yan; Leichtman, Alan B; Rees, Michael A; Kalbfleisch, John D

    2014-05-01

    The traditional concept of barter exchange in economics has been extended in the modern era to the area of living-donor kidney transplantation, where one incompatible donor-candidate pair is matched to another pair with a complementary incompatibility, such that the donor from one pair gives an organ to a compatible candidate in the other pair and vice versa. Kidney paired donation (KPD) programs provide a unique and important platform for living incompatible donor-candidate pairs to exchange organs in order to achieve mutual benefit. In this paper, we propose novel organ allocation strategies to arrange kidney exchanges under uncertainties with advantages, including (i) allowance for a general utility-based evaluation of potential kidney transplants and an explicit consideration of stochastic features inherent in a KPD program; and (ii) exploitation of possible alternative exchanges when the originally planned allocation cannot be fully executed. This allocation strategy is implemented using an integer programming (IP) formulation, and its implication is assessed via a data-based simulation system by tracking an evolving KPD program over a series of match runs. Extensive simulation studies are provided to illustrate our proposed approach. PMID:24795783

  10. Coupling of Carbon Monoxide with Nitrogen Monoxide at a Frustrated Lewis Pair Template.

    PubMed

    Ye, Ke-Yin; Kehr, Gerald; Daniliuc, Constantin G; Liu, Lei; Grimme, Stefan; Erker, Gerhard

    2016-08-01

    Coupling of carbon monoxide with nitrogen monoxide was achieved at a frustrated Lewis pair template. This unique reaction uses hydride as an auxiliary, which reductively activates carbon monoxide at the frustrated Lewis pair. The CO/NO coupling reaction then takes place through a pathway involving a radical reaction in which the hydrogen atom auxiliary is eventually removed again.

  11. Heralding efficiency and correlated-mode coupling of near-IR fiber-coupled photon pairs

    SciTech Connect

    Dixon, P. Ben; Rosenberg, Danna; Stelmakh, Veronika; Grein, Matthew E.; Bennink, Ryan S.; Dauler, Eric A.; Kerman, Andrew J.; Molnar, Richard J.; Wong, Franco N. C.

    2014-10-06

    We report on a systematic experimental study of heralding efficiency and generation rate of telecom-band infrared photon pairs generated by spontaneous parametric down-conversion and coupled to single mode optical fibers. We define the correlated-mode coupling efficiency--an inherent source efficiency--and explain its relation to heralding efficiency. For our experiment, we developed a reconfigurable computer controlled pump-beam and collection-mode optical apparatus which we used to measure the generation rate and correlated-mode coupling efficiency. The use of low-noise, high-efficiency superconducting-nanowire single-photon-detectors in this setup allowed us to explore focus configurations with low overall photon flux. The measured data agree well with theory and we demonstrated a correlated-mode coupling efficiency of 97%±2%, which is the highest efficiency yet achieved for this type of system. These results confirm theoretical treatments and demonstrate that very high overall heralding efficiencies can, in principle, be achieved in quantum optical systems. We expect that these results and techniques will be widely incorporated into future systems that require, or benefit from, a high heralding efficiency.

  12. Heralding efficiency and correlated-mode coupling of near-IR fiber-coupled photon pairs

    DOE PAGESBeta

    Dixon, P. Ben; Rosenberg, Danna; Stelmakh, Veronika; Grein, Matthew E.; Bennink, Ryan S.; Dauler, Eric A.; Kerman, Andrew J.; Molnar, Richard J.; Wong, Franco N. C.

    2014-10-06

    We report on a systematic experimental study of heralding efficiency and generation rate of telecom-band infrared photon pairs generated by spontaneous parametric down-conversion and coupled to single mode optical fibers. We define the correlated-mode coupling efficiency--an inherent source efficiency--and explain its relation to heralding efficiency. For our experiment, we developed a reconfigurable computer controlled pump-beam and collection-mode optical apparatus which we used to measure the generation rate and correlated-mode coupling efficiency. The use of low-noise, high-efficiency superconducting-nanowire single-photon-detectors in this setup allowed us to explore focus configurations with low overall photon flux. The measured data agree well with theory andmore » we demonstrated a correlated-mode coupling efficiency of 97%±2%, which is the highest efficiency yet achieved for this type of system. These results confirm theoretical treatments and demonstrate that very high overall heralding efficiencies can, in principle, be achieved in quantum optical systems. We expect that these results and techniques will be widely incorporated into future systems that require, or benefit from, a high heralding efficiency.« less

  13. Two-career couples: Information exchange

    NASA Astrophysics Data System (ADS)

    Sancetta, Constance

    AGU's Education and Human Resources Committee sponsored a panel session on The Two-Career Couple at the 1983 AGU Fall Meeting (a report on the session will appear in a forthcoming issue of Eos). The response was overwhelming—more than 150 persons crowded into the room, many of them midcareer professionals. Clearly, we had touched a nerve. In discussion following the panel presentation, members of the audience repeatedly expressed a desire for models, guidelines, or policy statements that could be shown to an employer, especially with reference to flexible work time, slow career advancement, and promotion policy. People felt that alternatives are feasible, and that the present lack of policies is largely due to ignorance, by both employers and employees, of practical solutions. “Surely, with so many women entering the work force, some corporations or agencies must have developed guidelines!”

  14. Micromagnetic simulation of exchange coupled ferri-/ferromagnetic heterostructures

    PubMed Central

    Oezelt, Harald; Kovacs, Alexander; Reichel, Franz; Fischbacher, Johann; Bance, Simon; Gusenbauer, Markus; Schubert, Christian; Albrecht, Manfred; Schrefl, Thomas

    2015-01-01

    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. PMID:25937693

  15. Exchange bias training effect in coupled all ferromagnetic bilayer structures.

    PubMed

    Binek, Ch; Polisetty, S; He, Xi; Berger, A

    2006-02-17

    Exchange coupled bilayers of soft and hard ferromagnetic thin films show remarkable analogies to conventional antiferromagnetic/ferromagnetic exchange bias heterostructures. Not only do all these ferromagnetic bilayers exhibit a tunable exchange bias effect, they also show a distinct training behavior upon cycling the soft layer through consecutive hysteresis loops. In contrast with conventional exchange bias systems, such all ferromagnetic bilayer structures allow the observation of training induced changes in the bias-setting hardmagnetic layer by means of simple magnetometry. Our experiments show unambiguously that the exchange bias training effect is driven by deviations from equilibrium in the pinning layer. A comparison of our experimental data with predictions from a theory based upon triggered relaxation phenomena shows excellent agreement.

  16. Equipoise: ethical, scientific, and clinical trial design considerations for compatible pair participation in kidney exchange programs.

    PubMed

    Cuffy, M C; Ratner, L E; Siegler, M; Woodle, E S

    2015-06-01

    Compatible living donor/recipient pair participation (CPP) in kidney exchange (KE) transplantation may substantially increase transplant volumes and significantly mitigate the O blood group donor shortage in KE. Initial ethical analysis did not support CPP for two primary reasons: (1) KE would be "unbalanced," and (2) the possibility of undue influence experienced by the compatible pair living donor. Recent developments with CPP (modeling studies and small clinical experiences), have demonstrated substantial potential for increasing KE volumes. This encouraged us to reconsider initial ethical concerns, with a focus on the potential for a design of a prospective CPP clinical trial. This ethical reconsideration led us to conclude that the concept of unbalanced kidney exchanges (manifested primarily by differential benefit between compatible and incompatible pairs) is no longer as clear cut as originally conceived. In addition, application of two concepts substantially diminishes ethical concerns including: (1) "quasi-compatible" pairs, and (2) a priori definition of mitigating factors. We conclude that genuine uncertainty exists regarding whether kidney exchange is best performed with or without compatible pair participation and that a clinical trial is therefore warranted.

  17. Ferromagnetic resonance of exchange-coupled perpendicularly magnetized bilayers

    NASA Astrophysics Data System (ADS)

    Devolder, Thibaut

    2016-04-01

    Strong ferromagnetic interlayer exchange couplings J in perpendicularly magnetized systems are becoming increasingly desirable for applications. We study whether ferromagnetic interlayer exchange couplings can be measured by a combination of broadband ferromagnetic resonance methods and magnetometry hysteresis loops. For this, we model the switching and the eigenexcitations in bilayer systems comprising a soft layer coupled to a thicker harder layer that possesses higher perpendicular magnetic anisotropy. For large J > 0, the switching fields are essentially independent of J but the frequency of the optical eigenmode of the bilayer and the linewidth of the acoustical and optical eigenmode are directly sensitive to the coupling. We derive a corpus of compact analytical expressions to analyze these frequencies, their linewidth and discuss the meaning thereof. We illustrate this corpus on a system mimicking the fixed layers of a magnetic tunnel junction meant for spin torque applications.

  18. Magnetic exchange coupling in actinide-containing molecules.

    PubMed

    Rinehart, Jeffrey D; Harris, T David; Kozimor, Stosh A; Bartlett, Bart M; Long, Jeffrey R

    2009-04-20

    Recent progress in the assembly of actinide-containing coordination clusters has generated systems in which the first glimpses of magnetic exchange coupling can be recognized. Such systems are of interest owing to the prospects for involving 5f electrons in stronger magnetic exchange than has been observed for electrons in the more contracted 4f orbitals of the lanthanide elements. Here, we survey the actinide-containing molecules thought to exhibit magnetic exchange interactions, including multiuranium, uranium-lanthanide, uranium-transition metal, and uranium-radical species. Interpretation of the magnetic susceptibility data for compounds of this type is complicated by the combination of spin-orbit coupling and ligand-field effects arising for actinide ions. Nevertheless, for systems where analogues featuring diamagnetic replacement components for the non-actinide spin centers can be synthesized, a data subtraction approach can be utilized to probe the presence of exchange coupling. In addition, methods have been developed for employing the resulting data to estimate lower and upper bounds for the exchange constant. Emphasis is placed on evaluation of the linear clusters (cyclam)M[(mu-Cl)U(Me(2)Pz)(4)](2) (M = Co, Ni, Cu, Zn; cyclam = 1,4,8,11-tetraazacyclotetradecane; Me(2)Pz(-) = 3,5-dimethylpyrazolate), for which strong ferromagnetic exchange with 15 cm(-1) < or = J < or = 48 cm(-1) is observed for the Co(II)-containing species. Owing to the modular synthetic approach employed, this system in particular offers numerous opportunities for adjusting the strength of the magnetic exchange coupling and the total number of unpaired electrons. To this end, the prospects of such modularity are discussed through the lens of several new related clusters. Ultimately, it is hoped that this research will be of utility in the development of electronic structure models that successfully describe the magnetic behavior of actinide compounds and will perhaps even lead to new

  19. Coupling of the pairing vibrations with the fission mode

    NASA Astrophysics Data System (ADS)

    Staszczak, A.; Baran, A.; Pomorski, K.; Böning, K.

    1985-10-01

    The influence of collective pairing vibrations on the spontaneous fission lifetimes are studied. The Nilsson single-particle potential plus the monopole pairing residual interaction are used. The collective hamiltonian is obtained within the cranking model. The fission lifetimes are evaluated in the WKB approximation along the least-action trajectory in the three-dimensional space (ε 24, Δ p, Δ n) . When taking into account the mean paring-field parameters (Δ p, Δ n) as dynamical variables, the theoretical fission lifetimes decrease by a few orders of magnitude.

  20. Magnetocaloric effect at the exchange-inversion with magnetoelastic coupling

    NASA Astrophysics Data System (ADS)

    Piazzi, Marco; Basso, Vittorio

    2015-09-01

    We develop a thermodynamic model to describe antiferro- (AFM) to ferromagnetic (FM) phase transitions through magnetoelastic coupling in the framework of Kittel's exchange-inversion mechanism. By including both magnetic and structural contributions to the free energy, we derive the conditions to have a direct AFM-FM transition. These are represented either by the presence of a non-zero intra-sublattice coupling constant or by a sufficiently high value of the magnetoelastic coupling parameter. In the paper we establish these conditions by analytical means and we discuss the physical meaning of the model in relation to possible applications to magnetocaloric materials with AFM-FM transitions.

  1. Paired moving charges in mitochondrial energy coupling. II. Universality of the principles for energy coupling in biological systems.

    PubMed

    Green, E; Reible, S

    1975-01-01

    The thesis is developed that an acceptable model of biological energy coupling must have universal application. The paired moving charge model of mitochondrial energy coupling is examined from the standpoint of this thesis. Fundamental to this model is the notion that energy coupling involves interaction between paired uncompensated charged species in two vectorially aligned and spatially separated reaction centers. The two charge-separating devices are assumed to be the electron transfer chain (in chloroplast and mitochondria) and intrinsic ionophores (in all transducing organelles and kinases). The universality of the ionophore principle becomes then the crucial test of the validity of the paired moving charge model. The multiple facets of ionophore-mediated couples processes are explored, e.g., coupled hydrolysis of ATP, hormonal control of ion movements, and active transport.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  3. Confinement and precession of vortex pairs in coherently coupled Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Tylutki, Marek; Pitaevskii, Lev P.; Recati, Alessio; Stringari, Sandro

    2016-04-01

    The dynamic behavior of vortex pairs in two-component coherently (Rabi) coupled Bose-Einstein condensates is investigated in the presence of harmonic trapping. We discuss the role of the surface tension associated with the domain wall connecting two vortices in condensates of atoms occupying different spin states and its effect on the precession of the vortex pair. The results, based on the numerical solution of the Gross-Pitaevskii equations, are compared with the predictions of an analytical macroscopic model and are discussed as a function of the size of the pair, the Rabi coupling, and the intercomponent interaction. We show that the increase of the Rabi coupling results in the disintegration of the domain wall into smaller pieces, connecting vortices of newly created vortex pairs. The resulting scenario is the analog of quark confinement and string breaking in quantum chromodynamics.

  4. Manipulation by exchange coupling in layered magnetic structures

    SciTech Connect

    Moskalenko, M. A.; Uzdin, V. M.; Zabel, H.

    2014-02-07

    Exchange coupling in magnetic heterostructures can be modified via introduction of additional magnetic spacer layers at the interfaces. The magnetic characteristics and the spacer layer thickness determine the functional properties of the whole system. We show that the hysteresis loop area of trilayer spring magnets with two different soft magnetic layers (s1, s2) and one hard magnetic layer (h) with the sequence s1/s2/h can be increased as compared to both bilayer structures s1/h and s2/h with the same total thickness of the soft layers and for definite thickness ratios of the soft layers and their sequences. For ferrimagnetic spin valves, the perpendicular exchange bias effect can be tuned via the thickness of non-magnetic spacer layers at the interface, which determine the exchange coupling between ferrimagnets. A simple quasi one-dimensional phenomenological model is able to describe the magnetic hysteresis of even complex layered structures and to predict optimal geometrical and magnetic parameters of such heterostructures.

  5. Molecular mechanical studies of DNA flexibility: coupled backbone torsion angles and base-pair openings.

    PubMed

    Keepers, J W; Kollman, P A; Weiner, P K; James, T L

    1982-09-01

    Molecular mechanics studies have been carried out on "B-DNA-like" structures of [d(C-G-C-G-A-A-T-T-C-G-C-G)](2) and [d(A)](12).[d(T)](12). Each of the backbone torsion angles (psi, phi, omega, omega', phi') has been "forced" to alternative values from the normal B-DNA values (g(+), t, g(-), g(-), t conformations). Compensating torsion angle changes preserve most of the base stacking energy in the double helix. In a second part of the study, one purine N3-pyrimidine N1 distance at a time has been forced to a value of 6 A in an attempt to simulate the base opening motions required to rationalize proton exchange data for DNA. When the 6-A constraint is removed, many of the structures revert to the normal Watson-Crick hydrogen-bonded structure, but a number are trapped in structures approximately 5 kcal/mol higher in energy than the starting B-DNA structure. The relative energy of these structures, some of which involve a non-Watson-Crick thymine C2(carbonyl)[unk]adenine 6NH(2) hydrogen bond, are qualitatively consistent with the DeltaH for a "base pair-open state" suggested by Mandal et al. of 4-6 kcal/mol [Mandal, C., Kallenbach, N. R. & Englander, S. W. (1979) J. Mol. Biol. 135, 391-411]. The picture of DNA flexibility emerging from this study depicts the backbone as undergoing rapid motion between local torsional minima on a nanosecond time scale. Backbone motion is mainly localized within a dinucleoside segment and generally not conformationally coupled along the chain or across the base pairs. Base motions are much smaller in magnitude than backbone motions. Base sliding allows imino N-H exchange, but it is localized, and only a small fraction of the N-H groups is exposed at any one time. Stacking and hydrogen bonding cause a rigid core of bases in the center of the molecule accounting for the hydrodynamic properties of DNA.

  6. Identity-based authenticated key exchange protocols from the Tate pairing

    NASA Astrophysics Data System (ADS)

    Shen, Jun; Jin, Hong; Yang, Zhiyong; Cui, Xiang

    2011-12-01

    Key agreement protocols are designed to establish a session keys between two or multiple entities oven an insecure network and the session key is used to assure confidentiality thought encryption. With the advantages of identity-based (ID-based) cryptography, there have been many ID-based key agreement protocols proposed. However, most of them are based on Weil pairing, which is more cost of computation compared with Tate paring. In this paper, we propose a newly ID-based key agreement protocol from the Tate pairing. Compared with previous protocols, the new protocol minimizes the cost of computation with no extra message exchange time. In addition, the proposed protocol provides known key security, no key control, no key-compromise impersonation and perfect forward secrecy.

  7. Stabilization of magnetic helix in exchange-coupled thin films

    PubMed Central

    Dzemiantsova, L. V.; Meier, G.; Röhlsberger, R.

    2015-01-01

    Based on micromagnetic simulations, we report on a novel magnetic helix in a soft magnetic film that is sandwiched between and exchange-coupled to two hard magnetic layers with different anisotropies. We show that such a confined helix stays stable without the presence of an external magnetic field. The magnetic stability is determined by the energy minimization and is a result of an internal magnetic field created by the exchange interaction. We show that this internal field stores a magnetic energy density of a few kJ/m3. We also find that it dramatically modifies ferromagnetic resonances, such that the helix can be used as a ferromagnetic resonance filter and a fast acting attenuator. PMID:26537574

  8. Effect of ionophores on the rate of intramolecular cation exchange in durosemiquinone ion pairs

    NASA Technical Reports Server (NTRS)

    Eastman, M. P.; Bruno, G. V.; Mcguyer, C. A.; Gutierrez, A. R.; Shannon, J. M.

    1979-01-01

    The effects of the ionophores 15-crown-5 (15C5), 18-crown-6 (18C6), dibenzo-18-crown-6 (DBC) and cryptand 222 (C222) on intramolecular cation exchange in ion pairs of the sodium salt of the durosemiquinone anion in benzene solution are investigated. Electron paramagnetic resonance spectra of the 18C6 and 15C5 complexes with durosemiquinone reduced by contact with a sodium mirror show an alternating line width which indicates that the sodium ion is being exchanged between equivalent sites near the oxygens of the semiquinone with activation energies of 8.7 and 6.0 kcal/mole and Arrhenius preexponential factors of 9 x 10 to the 12th/sec and 10 to the 12th/sec, respectively. Spectra obtained for the DBC complexes show no evidence of exchange, while those of C222 indicate rapid exchange. It is also noted that the hyperfine splitting constants measured do not change over the 50-K temperature interval studied.

  9. Understanding The Role of Mate Selection Processes in Couples' Pair-Bonding Behavior.

    PubMed

    Horwitz, Briana N; Reynolds, Chandra A; Walum, Hasse; Ganiban, Jody; Spotts, Erica L; Reiss, David; Lichtenstein, Paul; Neiderhiser, Jenae M

    2016-01-01

    Couples are similar in their pair-bonding behavior, yet the reasons for this similarity are often unclear. A common explanation is phenotypic assortment, whereby individuals select partners with similar heritable characteristics. Alternatively, social homogamy, whereby individuals passively select partners with similar characteristic due to shared social backgrounds, is rarely considered. We examined whether phenotypic assortment and/or social homogamy can contribute to mate similarity using a twin-partner design. The sample came from the Twin and Offspring Study in Sweden, which included 876 male and female monozygotic and same-sex dizygotic twins plus their married or cohabitating partners. Results showed that variance in pair-bonding behavior was attributable to genetic and nonshared environmental factors. Furthermore, phenotypic assortment accounted for couple similarity in pair-bonding behavior. This suggests that individuals' genetically based characteristics are involved in their selection of mates with similar pair-bonding behavior.

  10. Observation of anisotropic energy transfer in magnetically coupled magnetic vortex pair

    NASA Astrophysics Data System (ADS)

    Hasegawa, N.; Sugimoto, S.; Kumar, D.; Barman, S.; Barman, A.; Kondou, K.; Otani, Y.

    2016-06-01

    We have experimentally investigated the energy transfer and storage in the magnetostatically coupled vortices in a pair of disks. By measuring the frequency dependence of the rectified dc voltage, we observed a specific gyrating motion due to anomalous energy storage at the off-resonant frequency for anti-parallel polarities. Micromagnetic simulations based on the Landau-Lifshitz-Gilbert equation qualitatively reproduce the experimental results and reveal that the behavior arises from the anisotropic energy transfer, i.e., the modulation of effective damping constant of the pair disks, originating from the phase difference between coupled vortex cores. These findings can be of use in magnetic vortex based logic operations.

  11. Landau-Lifshitz-Bloch equation for exchange-coupled grains

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

    Heat-assisted recording is a promising technique to further increase the storage density in hard disks. Multilayer recording grains with graded Curie temperature is discussed to further assist the write process. Describing the correct magnetization dynamics of these grains, from room temperature to far above the Curie point, during a write process is required for the calculation of bit error rates. We present a coarse-grained approach based on the Landau-Lifshitz-Bloch (LLB) equation to model exchange-coupled grains with low computational effort. The required temperature-dependent material properties such as the zero-field equilibrium magnetization as well as the parallel and normal susceptibilities are obtained by atomistic Landau-Lifshitz-Gilbert simulations. Each grain is described with one magnetization vector. In order to mimic the atomistic exchange interaction between the grains a special treatment of the exchange field in the coarse-grained approach is presented. With the coarse-grained LLB model the switching probability of a recording grain consisting of two layers with graded Curie temperature is investigated in detail by calculating phase diagrams for different applied heat pulses and external magnetic fields.

  12. Integrable pair-transition-coupled nonlinear Schrödinger equations.

    PubMed

    Ling, Liming; Zhao, Li-Chen

    2015-08-01

    We study integrable coupled nonlinear Schrödinger equations with pair particle transition between components. Based on exact solutions of the coupled model with attractive or repulsive interaction, we predict that some new dynamics of nonlinear excitations can exist, such as the striking transition dynamics of breathers, new excitation patterns for rogue waves, topological kink excitations, and other new stable excitation structures. In particular, we find that nonlinear wave solutions of this coupled system can be written as a linear superposition of solutions for the simplest scalar nonlinear Schrödinger equation. Possibilities to observe them are discussed in a cigar-shaped Bose-Einstein condensate with two hyperfine states. The results would enrich our knowledge on nonlinear excitations in many coupled nonlinear systems with transition coupling effects, such as multimode nonlinear fibers, coupled waveguides, and a multicomponent Bose-Einstein condensate system. PMID:26382492

  13. Crosstalk-insensitive method for simultaneously coupling multiple pairs of resonators

    NASA Astrophysics Data System (ADS)

    Yang, Chui-Ping; Su, Qi-Ping; Zheng, Shi-Biao; Nori, Franco

    2016-04-01

    In a circuit consisting of two or more resonators, the intercavity crosstalk is inevitable, which could create some problems, such as degrading the performance of quantum operations and the fidelity of various quantum states. The focus of this work is to propose a crosstalk-insensitive method for simultaneously coupling multiple pairs of resonators, which is important in large-scale quantum information processing and communication in a network consisting of resonators or cavities. In this work, we consider 2 N resonators of different frequencies, which are coupled to a three-level quantum system (qutrit). By applying a strong pulse to the coupler qutrit, we show that an effective Hamiltonian can be constructed for simultaneously coupling multiple pairs of resonators. The main advantage of this proposal is that the effect of inter-resonator crosstalks is greatly suppressed by using resonators of different frequencies. In addition, by employing the qutrit-resonator dispersive interaction, the intermediate higher-energy level of the qutrit is virtually excited and thus decoherence from this level is suppressed. This effective Hamiltonian can be applied to implement quantum operations with photonic qubits distributed in different resonators. As one application of this Hamiltonian, we show how to simultaneously generate multiple Einstein-Podolsky-Rosen pairs of photonic qubits distributed in 2 N resonators. Numerical simulations show that it is feasible to prepare two high-fidelity EPR photonic pairs using a setup of four one-dimensional transmission line resonators coupled to a superconducting flux qutrit with current circuit QED technology.

  14. Scaling properties of the pairing problem in the strong coupling limit

    SciTech Connect

    Barbaro, M.B.; Cenni, R.; Molinari, A.; Quaglia, M.R.

    2013-10-15

    We study the excited states of the pairing Hamiltonian providing an expansion for their energy in the strong coupling limit. To assess the role of the pairing interaction we apply the formalism to the case of a heavy atomic nucleus. We show that only a few statistical moments of the level distribution are sufficient to yield an accurate estimate of the energy for not too small values of the coupling G and we give the analytic expressions of the first four terms of the series. Further, we discuss the convergence radius G{sub sing} of the expansion showing that it strongly depends upon the details of the level distribution. Furthermore G{sub sing} is not related to the critical values of the coupling G{sub crit}, which characterize the physics of the pairing Hamiltonian, since it can exist even in the absence of these critical points. -- Highlights: •We study the excitation spectrum of the pairing Hamiltonian. •We provide an analytic expansion around the strong coupling limit. •We discuss the convergence radius of the expansion. •We connect the radius with the critical points of H.

  15. CO2 exchange following peat extraction - a comparison of two paired restored/unrestored peatlands

    NASA Astrophysics Data System (ADS)

    Strachan, Ian; Strack, Maria; Pelletier, Luc; Nugent, Kelly; Rankin, Tracy

    2016-04-01

    Peat extraction is an important industry in parts of Canada and elsewhere globally. The resulting disturbance from drainage and vacuum-harvesting is mitigated through best practices which now incorporate restoration intended to return the peatland's biodiversity and greenhouse gas (GHG) exchange to that resembling the pre-disturbance state. We examine the net ecosystem exchange of CO2 (NEE) in two sets of paired peatlands. Within each pair, the extraction year was the same and the sites were treated identically post-extraction in terms of management (blocking drains or leveling as applicable). The first pair is located in the vicinity of Rivière-du-Loup, Québec, Canada and were harvested in 1980. The Bois-des-Bel (BDB) site was restored in 1999 following the methods of Quinty and Rochefort (2003). GHG fluxes have been studied at various points since restoration (e.g. Strack and Zuback, 2013) largely using chamber measurements. The site now hosts a thriving bog ecosystem with Sphagnum, Eriophorum and shrub communities. A site 30 km away near Saint-Alexandre de Kamouraska (SAK) was managed post-harvest as BDB with drains blocked but was left unrestored and now has only sparse Eriophorum with invasive species. The second pair of peatlands represents a newly extracted site near Seba Beach, Alberta, Canada. One field was restored (SBR) in autumn 2012 as per the Québec sites but with ditches infilled when the fields were levelled while the other (SBU) was left unrestored. In the summer of 2013, eddy covariance towers were installed at each location and measured NEE continuously at 10Hz throughout the subsequent periods. BDB and SBR remain operational today while SBU was removed in fall 2014 and SAK in fall 2015. In this presentation, we will focus on the coincident years of operation. After 15 years, BDB has measured NEE in the range of that observed at natural peatlands. A summer sink and winter release lead to annual uptake of CO2. At SAK, the lack of establishment

  16. Entangled Photon Pairs Produced by a Quantum Dot Strongly Coupled to a Microcavity

    NASA Astrophysics Data System (ADS)

    Johne, R.; Gippius, N. A.; Pavlovic, G.; Solnyshkov, D. D.; Shelykh, I. A.; Malpuech, G.

    2008-06-01

    We show theoretically that entangled photon pairs can be produced on demand through the biexciton decay of a quantum dot strongly coupled to the modes of a photonic crystal. The strong coupling allows us to tune the energy of the mixed exciton-photon (polariton) eigenmodes and to overcome the natural splitting existing between the exciton states coupled with different linear polarizations of light. Polariton states are moreover well protected against dephasing due to their lifetime of ten to a hundred times shorter than that of a bare exciton. Our analysis shows that the scheme proposed is achievable with the present technology.

  17. Room temperature skyrmion ground state stabilized through interlayer exchange coupling

    SciTech Connect

    Chen, Gong Schmid, Andreas K.; Mascaraque, Arantzazu; N'Diaye, Alpha T.

    2015-06-15

    Possible magnetic skyrmion device applications motivate the search for structures that extend the stability of skyrmion spin textures to ambient temperature. Here, we demonstrate an experimental approach to stabilize a room temperature skyrmion ground state in chiral magnetic films via exchange coupling across non-magnetic spacer layers. Using spin polarized low-energy electron microscopy to measure all three Cartesian components of the magnetization vector, we image the spin textures in Fe/Ni films. We show how tuning the thickness of a copper spacer layer between chiral Fe/Ni films and perpendicularly magnetized Ni layers permits stabilization of a chiral stripe phase, a skyrmion phase, and a single domain phase. This strategy to stabilize skyrmion ground states can be extended to other magnetic thin film systems and may be useful for designing skyrmion based spintronics devices.

  18. Energy exchange in strongly coupled plasmas with electron drift

    SciTech Connect

    Akbari-Moghanjoughi, M.; Ghorbanalilu, M.

    2015-11-15

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. Energy exchange in strongly coupled plasmas with electron drift

    NASA Astrophysics Data System (ADS)

    Akbari-Moghanjoughi, M.; Ghorbanalilu, M.

    2015-11-01

    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.

  1. Towards designing Mn4 molecules with strong intramolecular exchange coupling

    NASA Astrophysics Data System (ADS)

    Nguyen, Anh Tuan; Dam, Hieu Chi

    2011-03-01

    Distorted cubane Mn4+Mn3+3 single-molecule magnets (SMMs) have been studied by first-principles calculations, i.e. [Mn4L3X(OAc)3(dbm)3] (L=O; X=F, Cl, and Br; dbmH=dibenzoyl-methane). It was shown in our previous paper (Tuan et al 2009 Phys. Chem. Chem. Phys. 11 717) that the ferrimagnetic structure of Mn4+Mn3+3 SMMs is dominated by π type hybridization between the dz2 orbitals at the three high-spin Mn3+ ions and the t2g orbitals at the Mn4+ ion. To design new Mn4+Mn3+3 molecules having much more stable ferrimagnetic states, one approach is suggested. This involves controlling the Mn4+–L–Mn3+ exchange pathways by rational variations in ligands to strengthen the hybridization between the Mn ions. Based on this method, we succeed in designing new distorted cubane Mn4+Mn3+3 molecules having Mn4+–Mn3+ exchange coupling of about 3 times stronger than that of the synthesized Mn4+Mn3+3 molecules. These results give some hints regarding experimental efforts to synthesize new superior Mn4+Mn3+3 SMMs.

  2. Phase diagram of a cyclic predator-prey model with neutral-pair exchange.

    PubMed

    Guisoni, Nara C; Loscar, Ernesto S; Girardi, Mauricio

    2013-08-01

    In this paper we obtain the phase diagram of a four-species predator-prey lattice model by using the proposed gradient method. We consider cyclic transitions between consecutive states, representing invasion or predation, and allowed the exchange between neighboring neutral pairs. By applying a gradient in the invasion rate parameter one can see, in the same simulation, the presence of two symmetric absorbing phases, composed by neutral pairs, and an active phase that includes all four species. In this sense, the study of a single-valued interface and its fluctuations give the critical point of the irreversible phase transition and the corresponding universality classes. Also, the consideration of a multivalued interface and its fluctuations bring the percolation threshold. We show that the model presents two lines of irreversible first-order phase transition between the two absorbing phases and the active phase. Depending on the value of the system parameters, these lines can converge into a triple point, which is the beginning of a first-order irreversible line between the two absorbing phases, or end in two critical points belonging to the directed percolation universality class. Standard simulations for some characteristic values of the parameters confirm the order of the transitions as determined by the gradient method. Besides, below the triple point the model presents two standard percolation lines in the active phase and above a first-order percolation transition as already found in other similar models.

  3. Rate theory of solvent exchange and kinetics of Li+ - BF4-/PF6- ion pairs in acetonitrile

    NASA Astrophysics Data System (ADS)

    Dang, Liem X.; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li+ and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li+ in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li+-[BF4] and Li+-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li+. We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li+-[BF4] and Li+-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

  4. Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.

    PubMed

    Dang, Liem X; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li(+) and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li(+) in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li(+)-[BF4] and Li(+)-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li(+). We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li(+)-[BF4] and Li(+)-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

  5. Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.

    PubMed

    Dang, Liem X; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li(+) and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li(+) in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li(+)-[BF4] and Li(+)-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li(+). We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li(+)-[BF4] and Li(+)-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems. PMID:27608999

  6. ESTIMATING GASEOUS EXCHANGES BETWEEN THE ATMOSPHERE AND PLANTS USING A COUPLED BIOCHEMICAL DRY DEPOSITION MODEL

    EPA Science Inventory

    To study gaseous exchanges between the soil, biosphere and atmosphere, a biochemical model was coupled with the latest version of Meyers Multi-Layer Deposition Model. The biochemical model describes photosynthesis and respiration and their coupling with stomatal resistance for...

  7. Disorder-induced dynamics in a pair of coupled heterogeneous phase oscillator networks.

    PubMed

    Laing, Carlo R

    2012-12-01

    We consider a pair of coupled heterogeneous phase oscillator networks and investigate their dynamics in the continuum limit as the intrinsic frequencies of the oscillators are made more and more disparate. The Ott/Antonsen Ansatz is used to reduce the system to three ordinary differential equations. We find that most of the interesting dynamics, such as chaotic behaviour, can be understood by analysing a gluing bifurcation of periodic orbits; these orbits can be thought of as "breathing chimeras" in the limit of identical oscillators. We also add Gaussian white noise to the oscillators' dynamics and derive a pair of coupled Fokker-Planck equations describing the dynamics in this case. Comparison with simulations of finite networks of oscillators is used to confirm many of the results.

  8. Target duality in N= 8 superconformal mechanics and the coupling of dual pairs

    SciTech Connect

    Gonzales, Marcelo; Lechtenfeld, Olaf

    2013-07-15

    We couple dual pairs of N= 8 superconformal mechanics with conical targets of dimension d and 8−d. The superconformal coupling generates an oscillator-type potential on each of the two target factors, with a frequency depending on the respective dual coordinates. In the case of the inhomogeneous (3,8,5) model, which entails a monopole background, it is necessary to add an extra supermultiplet of constants for half of the supersymmetry. The N= 4 analog, joining an inhomogeneous (1,4,3) with a (3,4,1) multiplet, is also analyzed in detail.

  9. High heralding-efficiency of near-IR fiber coupled photon pairs for quantum technologies

    SciTech Connect

    Dixon, P. Ben; Murphy, Ryan; Rosenberg, Danna; Grein, Matthew E.; Stelmakh, Veronika; Bennink, Ryan S; Wong, Franco N. C.

    2015-01-01

    We report on the development and use of a high heralding-efficiency, single-mode-fiber coupled telecom-band source of entangled photons for quantum technology applications. The source development efforts consisted of theoretical and experimental efforts and we demonstrated a correlated-mode coupling efficiency of 97% 2%, the highest efficiency yet achieved for this type of system. We then incorporated these beneficial source development techniques in a Sagnac configured telecom-band entangled photon source that generates photon pairs entangled in both time/energy and polarization degrees of freedom. We made use of these highly desirable entangled states to investigate several promising quantum technologies.

  10. Numerical solution of a coupled pair of elliptic equations from solid state electronics

    NASA Technical Reports Server (NTRS)

    Phillips, T. N.

    1983-01-01

    Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem.

  11. Exchange narrowing of the phonon contribution to the electron spin resonance line width in exchange-coupled magnetic insulators.

    PubMed

    Huber, D L

    2014-02-01

    In this paper we extend earlier calculations of the phonon contribution to the electron spin resonance line width at high temperatures in exchange-coupled magnetic insulators. We show that the one-phonon contribution is exchange-narrowed, similar to the static anisotropy contribution. The effect of the exchange narrowing is to limit contributing phonons to those modes whose energies are less than a cutoff, γ(max), that is proportional to the exchange interaction. Linear-T behavior in the line width occurs when kBT is greater than γ(max).

  12. Anisotropic plasmon-coupling dimerization of a pair of spherical electron gases.

    PubMed

    Gumbs, Godfrey; Iurov, Andrii; Balassis, Antonios; Huang, Danhong

    2014-04-01

    We have discovered a novel feature in the plasmon excitations for a pair of Coulomb-coupled non-concentric spherical two-dimensional electron gases (S2DEGs). Our results show that the plasmon excitations for such pairs depend on the orientation with respect to the external electromagnetic probe field. The origin of this anisotropy of the inter-sphere Coulomb interaction is due to the directional asymmetry of the electrostatic coupling of electrons in excited states which depend on both the angular momentum quantum number L and its projection M on the axis of quantization taken as the probe E-field direction. We demonstrate the anisotropic inter-sphere Coulomb coupling in space and present semi-analytic results in the random-phase approximation both perpendicular and parallel to the axis of quantization. For the incidence of light with a finite orbital or spin angular momentum, the magnetic field generated from an induced oscillating electric dipole on one sphere can couple to an induced magnetic dipole on another sphere in a way that is dependent on whether the direction is parallel or perpendicular to the probe E field. Such an effect from the plasmon spatial correlation is expected to be experimentally observable by employing circularly polarized light or a helical light beam for incidence. The S2DEG serves as a simple model for fullerenes as well as metallic dimers, when the energy bands are far apart. PMID:24625751

  13. Phonon coupling in optical transitions for singlet-triplet pairs of bound excitons in semiconductors

    NASA Astrophysics Data System (ADS)

    Pistol, M. E.; Monemar, B.

    1986-05-01

    A model is presented for the observed strong difference in selection rules for coupling of phonons in the one-phonon sideband of optical spectra related to bound excitons in semiconductors. The present treatment is specialized to the case of a closely spaced pair of singlet-triplet character as the lowest electronic states, as is common for bound excitons associated with neutral complexes in materials like GaP and Si. The optical transition for the singlet bound-exciton state is found to couple strongly only to symmetric A1 modes. The triplet state has a similar coupling strength to A1 modes, but in addition strong contributions are found for replicas corresponding to high-density-of-states phonons TAX, LAX, and TOX. This can be explained by a treatment of particle-phonon coupling beyond the ordinary adiabatic approximation. A weak mixing between the singlet and triplet states is mediated by the phonon coupling, as described in first-order perturbation theory. The model derived in this work, for such phonon-induced mixing of closely spaced electronic states, is shown to explain the observed phonon coupling for several bound-exciton systems of singlet-triplet character in GaP. In addition, the observed oscillator strength of the forbidden triplet state may be explained as partly derived from phonon-induced mixing with the singlet state, which has a much larger oscillator strength.

  14. Enhanced interlayer exchange coupling in antiferromagnetically coupled ultrathin (Co70Fe30/Pd) multilayers

    NASA Astrophysics Data System (ADS)

    Meng, Zhaoliang; Qiu, Jinjun; Han, Guchang; Teo, Kie Leong

    2015-12-01

    We report the studies of magnetization reversal and magnetic interlayer coupling in synthetic antiferromagnetic (SAF) [Pd/Co70Fe30]9/Ru(tRu)/Pd(tPd)/[Co70Fe30/Pd]9 structure as functions of inserted Pd layer (tPd) and Ru layer (tRu) thicknesses. We found the exchange coupling field (Hex) and perpendicular magnetic anisotropy (PMA) can be controlled by both the tPd and tRu, The Hex shows a Ruderman-Kittel-Kasuya-Yosida-type oscillatory decay dependence on tRu and a maximum interlayer coupling strength Jex = 0.522 erg/cm2 is achieved at tPd + tRu ≈ 0.8 nm in the as-deposited sample. As it is known that a high post-annealing stability of SAF structure is required for magnetic random access memory applications, the dependence of Hex and PMA on the post-annealing temperature (Ta) is also investigated. We found that both high PMA of the top Co70Fe30/Pd multilayer is maintained and Hex is enhanced with increasing Ta up to 350 °C for tRu > 0.7 nm in our SAF structure.

  15. Spin-orbit coupling, electron transport and pairing instabilities in two-dimensional square structures

    NASA Astrophysics Data System (ADS)

    Kocharian, Armen N.; Fernando, Gayanath W.; Fang, Kun; Palandage, Kalum; Balatsky, Alexander V.

    2016-05-01

    Rashba spin-orbit effects and electron correlations in the two-dimensional cylindrical lattices of square geometries are assessed using mesoscopic two-, three- and four-leg ladder structures. Here the electron transport properties are systematically calculated by including the spin-orbit coupling in tight binding and Hubbard models threaded by a magnetic flux. These results highlight important aspects of possible symmetry breaking mechanisms in square ladder geometries driven by the combined effect of a magnetic gauge field spin-orbit interaction and temperature. The observed persistent current, spin and charge polarizations in the presence of spin-orbit coupling are driven by separation of electron and hole charges and opposite spins in real-space. The modeled spin-flip processes on the pairing mechanism induced by the spin-orbit coupling in assembled nanostructures (as arrays of clusters) engineered in various two-dimensional multi-leg structures provide an ideal playground for understanding spatial charge and spin density inhomogeneities leading to electron pairing and spontaneous phase separation instabilities in unconventional superconductors. Such studies also fall under the scope of current challenging problems in superconductivity and magnetism, topological insulators and spin dependent transport associated with numerous interfaces and heterostructures.

  16. Linear and nonlinear coupled drift and ion acoustic waves in collisional pair ion-electron magnetoplasma

    SciTech Connect

    Mushtaq, A.; Saeed, R.; Haque, Q.

    2011-04-15

    Linear and nonlinear coupled electrostatic drift and ion acoustic waves are studied in inhomogeneous, collisional pair ion-electron plasma. The Korteweg-de Vries-Burgers (KdVB) equation for a medium where both dispersion and dissipation are present is derived. An attempt is made to obtain exact solution of KdVB equation by using modified tanh-coth method for arbitrary velocity of nonlinear drift wave. Another exact solution for KdVB is obtained, which gives a structure of shock wave. Korteweg-de Vries (KdV) and Burgers equations are derived in limiting cases with solitary and monotonic shock solutions, respectively. Effects of species density, magnetic field, obliqueness, and the acoustic to drift velocity ratio on the solitary and shock solutions are investigated. The results discussed are useful in understanding of low frequency electrostatic waves at laboratory pair ion plasmas.

  17. A modified coupled pair functional approach. [for dipole moment calculation of metal hydride ground states

    NASA Technical Reports Server (NTRS)

    Chong, D. P.; Langhoff, S. R.

    1986-01-01

    A modified coupled pair functional (CPF) method is presented for the configuration interaction problem that dramatically improves properties for cases where the Hartree-Fock reference configuration is not a good zeroth-order wave function description. It is shown that the tendency for CPF to overestimate the effect of higher excitations arises from the choice of the geometric mean for the partial normalization denominator. The modified method is demonstrated for ground state dipole moment calculations of the NiH, CuH, and ZnH transition metal hydrides, and compared to singles-plus-doubles configuration interaction and the Ahlrichs et al. (1984) CPF method.

  18. Mass spectrometry based on a coupled Cooper-pair box and nanomechanical resonator system

    PubMed Central

    2011-01-01

    Nanomechanical resonators (NRs) with very high frequency have a great potential for mass sensing with unprecedented sensitivity. In this study, we propose a scheme for mass sensing based on the NR capacitively coupled to a Cooper-pair box (CPB) driven by two microwave currents. The accreted mass landing on the resonator can be measured conveniently by tracking the resonance frequency shifts because of mass changes in the signal absorption spectrum. We demonstrate that frequency shifts induced by adsorption of ten 1587 bp DNA molecules can be well resolved in the absorption spectrum. Integration with the CPB enables capacitive readout of the mechanical resonance directly on the chip. PMID:22039926

  19. Cooling Mechanism for a Nonmechanical Resonator by Periodic Coupling to a Cooper Pair Box

    SciTech Connect

    Zhang, P.; Wang, Y.D.; Sun, C.P.

    2005-08-26

    We propose and study an active cooling mechanism for the nanomechanical resonator (NAMR) based on periodical coupling to a Cooper pair box (CPB), which is implemented by a designed series of magnetic flux pluses threading through the CPB. When the initial phonon number of the NAMR is not too large, this cooling protocol is efficient in decreasing the phonon number by 2 to 3 orders of magnitude. Our proposal is theoretically universal in cooling various boson systems of a single mode. It can be specifically generalized to prepare the nonclassical state of the NAMR.

  20. Numerical solution of a coupled pair of elliptic equations from solid state electronics

    NASA Technical Reports Server (NTRS)

    Phillips, T. N.

    1984-01-01

    Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem. Previously announced in STAR as N83-30109

  1. Mass spectrometry based on a coupled Cooper-pair box and nanomechanical resonator system

    NASA Astrophysics Data System (ADS)

    Jiang, Cheng; Chen, Bin; Li, Jin-Jin; Zhu, Ka-Di

    2011-10-01

    Nanomechanical resonators (NRs) with very high frequency have a great potential for mass sensing with unprecedented sensitivity. In this study, we propose a scheme for mass sensing based on the NR capacitively coupled to a Cooper-pair box (CPB) driven by two microwave currents. The accreted mass landing on the resonator can be measured conveniently by tracking the resonance frequency shifts because of mass changes in the signal absorption spectrum. We demonstrate that frequency shifts induced by adsorption of ten 1587 bp DNA molecules can be well resolved in the absorption spectrum. Integration with the CPB enables capacitive readout of the mechanical resonance directly on the chip.

  2. Lengthscale effects on exchange coupling in Co-Pt L10 + L12 nanochessboards

    NASA Astrophysics Data System (ADS)

    Vetter, Eric P.; Geng, Liwei; Ghatwai, Priya; Gilbert, Dustin A.; Jin, Yongmei; Soffa, William A.; Floro, Jerrold A.

    2016-09-01

    The Co-Pt nanochessboard is a quasi-periodic, nanocomposite tiling of L10 and L12 magnetic phases that offers a novel structure for the investigation of exchange coupling, relevant to permanent magnet applications. Periodicity of the tiling is controlled by the rate of cooling through the eutectoid isotherm, resulting in control over the L10-L12 exchange coupling. First order reversal curve analysis reveals a transition from partial coupling to nearly complete exchange-coupling in a Co40.2Pt59.8 nanochessboard structured alloy as the periodicity is reduced below the critical correlation length. Micromagnetic simulations give insights into how exchange coupling manifests in the tiling, and its impact on microscopic magnetization reversal mechanisms.

  3. Phase locking of spin-torque nano-oscillator pairs with magnetic dipolar coupling

    NASA Astrophysics Data System (ADS)

    Chen, Hao-Hsuan; Lee, Ching-Ming; Zhang, Zongzhi; Liu, Yaowen; Wu, Jong-Ching; Horng, Lance; Chang, Ching-Ray

    2016-06-01

    A spin-torque nanopillar oscillator (STNO) that combines a perpendicular-to-plane polarizer (PERP) with an in-plane magnetized free layer is a good candidate for phase locking, which opens a potential approach to enhancement of the output power of STNOs. In this paper, the magnetic dipolar coupling effect is used as the driving force to synchronize two STNOs. We develop an approximation theory for synchronizing two identical and nonidentical pairs of PERP STNOs, by which the critical current of synchronization, dipolar coupling strength, phase-locking transient time, and frequency can be analytically predicted. These predictions are further confirmed by macrospin and micromagnetic simulations. Finally, we show the phase diagrams of the phase locking as a function of applied current and separation between two STNOs.

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

    PubMed

    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. PMID:12353796

  5. Study of the tryptophan-terbium FRET pair coupled to silver nanoprisms for biosensing applications.

    PubMed

    di Gennaro, Ane K; Gurevich, Leonid; Skovsen, Esben; Overgaard, Michael T; Fojan, Peter

    2013-06-14

    Plasmonic coupling between fluorophores and metal surfaces has become a focal point of optical research during the last two decades, however, the interactions of FRET couples with metal surfaces remain relatively unexplored. In this study, interactions of the tryptophan-Tb(3+) FRET pair with silver nanoprisms for potential biosensor development have been investigated. For this purpose an engineered lanthanide binding peptide (LBTtrp) containing tryptophan as the sensitizer for bound lanthanide ions (Tb(3+)) as well as a trypsin cleavage site was synthesized. The modified LBTtrp peptide contained two N-terminal cysteine residues to provide a stronger coupling to the silver nanoprisms (~6 nm high, ~50 nm wide). This study investigated the interaction between tryptophan, chelated Tb(3+) ions, and silver nanoprisms in solution using fluorescence and transient absorption spectroscopy. We have found that Tb(3+) luminescence decreases upon binding of the LBTtrp-Tb(3+) to silver nanoprisms and increases upon trypsin cleavage. The transient absorption spectroscopy measurements showed a significant decrease in the lifetime of the excited singlet state of tryptophan upon Tb(3+) chelation, while coupling to the silver nanoprisms did not show a significant effect on tryptophan. The results obtained in this work demonstrate a first proof of concept for a new sensitive optical biosensor in solution.

  6. Topology of spin meron pairs in coupled Ni/Fe/Co/Cu(001) disks

    NASA Astrophysics Data System (ADS)

    Tan, A.; Li, J.; Scholl, A.; Arenholz, E.; Young, A. T.; Li, Q.; Hwang, C.; Qiu, Z. Q.

    2016-07-01

    The meron is a special topological object that carries only one-half of the topological charge unit. In condensed matter physics, a spin meron corresponds to one-half of a spin skyrmion. As compared to the many fascinating topological properties of skyrmion materials, little is known of the properties of spin merons especially about their formation. It was confirmed only recently that hedgehog merons could exist in pairs with opposite helicities via a spin flux closure. However, it is unclear whether a single hedgehog meron could ever exist by pairing with another type of meron. Using element-resolved magnetic imaging measurements on epitaxial trilayer disks, we show that a spin meron with a full range of helicity, including the hedgehog meron, can be stabilized by pairing with another vortex meron with a fine tuning of the magnetic coupling between the two merons. Furthermore, the meron divergence is fully controlled by the polarity of the vortex meron, independent of the vortex helicity.

  7. A new reversal mode in exchange coupled antiferromagnetic/ferromagnetic disks: distorted viscous vortex

    DOE PAGESBeta

    Gilbert, Dustin A.; Ye, Li; Varea, Aïda; Agramunt-Puig, Sebastià; del Valle, Nuria; Navau, Carles; López-Barbera, José Francisco; Buchanan, Kristen S.; Hoffmann, Axel; Sánchez, Alvar; et al

    2015-04-28

    Magnetic vortices have generated intense interest in recent years due to their unique reversal mechanisms, fascinating topological properties, and exciting potential applications. In addition, the exchange coupling of magnetic vortices to antiferromagnets has also been shown to lead to a range of novel phenomena and functionalities. Here we report a new magnetization reversal mode of magnetic vortices in exchange coupled Ir20Mn80/Fe20Ni80 microdots: distorted viscous vortex reversal. In contrast to the previously known or proposed reversal modes, the vortex is distorted close to the interface and viscously dragged due to the uncompensated spins of a thin antiferromagnet, which leads to unexpectedmore » asymmetries in the annihilation and nucleation fields. These results provide a deeper understanding of the physics of exchange coupled vortices and may also have important implications for applications involving exchange coupled nanostructures.« less

  8. A new reversal mode in exchange coupled antiferromagnetic/ferromagnetic disks: distorted viscous vortex

    SciTech Connect

    Gilbert, Dustin A.; Ye, Li; Varea, Aïda; Agramunt-Puig, Sebastià; del Valle, Nuria; Navau, Carles; López-Barbera, José Francisco; Buchanan, Kristen S.; Hoffmann, Axel; Sánchez, Alvar; Sort, Jordi; Liu, Kai; Nogués, Josep

    2015-04-28

    Magnetic vortices have generated intense interest in recent years due to their unique reversal mechanisms, fascinating topological properties, and exciting potential applications. In addition, the exchange coupling of magnetic vortices to antiferromagnets has also been shown to lead to a range of novel phenomena and functionalities. Here we report a new magnetization reversal mode of magnetic vortices in exchange coupled Ir20Mn80/Fe20Ni80 microdots: distorted viscous vortex reversal. In contrast to the previously known or proposed reversal modes, the vortex is distorted close to the interface and viscously dragged due to the uncompensated spins of a thin antiferromagnet, which leads to unexpected asymmetries in the annihilation and nucleation fields. These results provide a deeper understanding of the physics of exchange coupled vortices and may also have important implications for applications involving exchange coupled nanostructures.

  9. A Cu(II)2 Paramagnetic Chemical Exchange Saturation Transfer Contrast Agent Enabled by Magnetic Exchange Coupling.

    PubMed

    Du, Kang; Harris, T David

    2016-06-29

    The ability of magnetic exchange coupling to enable observation of paramagnetic chemical exchange saturation transfer (PARACEST) in transition metal ions with long electronic relaxation times (τs) is demonstrated. Metalation of the dinucleating, tetra(carboxamide) ligand HL with Cu(2+) in the presence of pyrophosphate (P2O7)(4-) affords the complex [LCu(II)2(P2O7)](-). Solution-phase variable-temperature magnetic susceptibility data reveal weak ferromagnetic superexchange coupling between the two S = 1/2 Cu(II) centers, with a coupling constant of J = +2.69(5) cm(-1), to give an S = 1 ground state. This coupling results in a sharpened NMR line width relative to a GaCu analogue, indicative of a shortening of τs. Presaturation of the amide protons in the Cu2 complex at 37 °C leads to a 14% intensity decrease in the bulk water (1)H NMR signal through the CEST effect. Conversely, no CEST effect is observed in the GaCu complex. These results provide the first example of a Cu-based PARACEST magnetic resonance contrast agent and demonstrate the potential to expand the metal ion toolbox for PARACEST agents through introduction of magnetic exchange coupling. PMID:27276533

  10. Exchange coupling in transition metal monoxides: Electronic structure calculations

    SciTech Connect

    Fischer, Guntram; Daene, Markus W; Ernst, Arthur; Bruno, Patrick; Lueders, Martin; Szotek, Zdzislawa; Temmerman, Walter M; Wolfam, Hergert

    2009-01-01

    An ab initio study of magnetic-exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach, implemented within the Korringa-Kohn-Rostoker band-structure method, which is based on multiple scattering theory. The Heisenberg exchange constants are evaluated with the magnetic force theorem. Based on these the corresponding Neel temperatures TN and spin-wave dispersions are calculated. The Neel temperatures are obtained using mean-field approximation, random-phase approximation and Monte Carlo simulations. The pressure dependence of TN is investigated using exchange constants calculated for different lattice constants. All the calculated results are compared to experimental data.

  11. Paramagnetic molecule induced strong antiferromagnetic exchange coupling on a magnetic tunnel junction based molecular spintronics device.

    PubMed

    Tyagi, Pawan; Baker, Collin; D'Angelo, Christopher

    2015-07-31

    This paper reports our Monte Carlo (MC) studies aiming to explain the experimentally observed paramagnetic molecule induced antiferromagnetic coupling between ferromagnetic (FM) electrodes. Recently developed magnetic tunnel junction based molecular spintronics devices (MTJMSDs) were prepared by chemically bonding the paramagnetic molecules between the FM electrodes along the tunnel junction's perimeter. These MTJMSDs exhibited molecule-induced strong antiferromagnetic coupling. We simulated the 3D atomic model analogous to the MTJMSD and studied the effect of molecule's magnetic couplings with the two FM electrodes. Simulations show that when a molecule established ferromagnetic coupling with one electrode and antiferromagnetic coupling with the other electrode, then theoretical results effectively explained the experimental findings. Our studies suggest that in order to align MTJMSDs' electrodes antiparallel to each other, the exchange coupling strength between a molecule and FM electrodes should be ∼50% of the interatomic exchange coupling for the FM electrodes.

  12. Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals

    NASA Astrophysics Data System (ADS)

    Garza, Alejandro J.; Sousa Alencar, Ana G.; Scuseria, Gustavo E.

    2015-12-01

    Singlet-paired coupled cluster doubles (CCD0) is a simplification of CCD that relinquishes a fraction of dynamic correlation in order to be able to describe static correlation. Combinations of CCD0 with density functionals that recover specifically the dynamic correlation missing in the former have also been developed recently. Here, we assess the accuracy of CCD0 and CCD0+DFT (and variants of these using Brueckner orbitals) as compared to well-established quantum chemical methods for describing ground-state properties of singlet actinide molecules. The f0 actinyl series (UO22+, NpO23+, PuO24+), the isoelectronic NUN, and thorium (ThO, ThO2+) and nobelium (NoO, NoO2) oxides are studied.

  13. Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals.

    PubMed

    Garza, Alejandro J; Sousa Alencar, Ana G; Scuseria, Gustavo E

    2015-12-28

    Singlet-paired coupled cluster doubles (CCD0) is a simplification of CCD that relinquishes a fraction of dynamic correlation in order to be able to describe static correlation. Combinations of CCD0 with density functionals that recover specifically the dynamic correlation missing in the former have also been developed recently. Here, we assess the accuracy of CCD0 and CCD0+DFT (and variants of these using Brueckner orbitals) as compared to well-established quantum chemical methods for describing ground-state properties of singlet actinide molecules. The f(0) actinyl series (UO2(2+), NpO2(3+), PuO2(4+)), the isoelectronic NUN, and thorium (ThO, ThO(2+)) and nobelium (NoO, NoO2) oxides are studied.

  14. Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals.

    PubMed

    Garza, Alejandro J; Sousa Alencar, Ana G; Scuseria, Gustavo E

    2015-12-28

    Singlet-paired coupled cluster doubles (CCD0) is a simplification of CCD that relinquishes a fraction of dynamic correlation in order to be able to describe static correlation. Combinations of CCD0 with density functionals that recover specifically the dynamic correlation missing in the former have also been developed recently. Here, we assess the accuracy of CCD0 and CCD0+DFT (and variants of these using Brueckner orbitals) as compared to well-established quantum chemical methods for describing ground-state properties of singlet actinide molecules. The f(0) actinyl series (UO2(2+), NpO2(3+), PuO2(4+)), the isoelectronic NUN, and thorium (ThO, ThO(2+)) and nobelium (NoO, NoO2) oxides are studied. PMID:26723650

  15. A molecular dynamics study of phase transition in strongly coupled pair-ion plasmas

    SciTech Connect

    Baruah, Swati; Ganesh, R.; Avinash, K.

    2015-08-15

    Existence of phase transition in strongly coupled pair-ion plasmas with soft core is investigated. Extensive Molecular Dynamics (MD) simulations are performed in the canonical ensemble, for such plasmas, at different temperatures, to analyze phase stability. Our studies show interesting phase co-existence between liquid-like and vapor-like phases. The different phases are identified by calculating the ensemble averaged density. This and the corresponding critical properties are calculated directly from MD simulation. The critical temperature of vapor-liquid coexistence is obtained, and the corresponding critical value of density is also estimated for different sizes of the soft core. We have used a novel method that allows the location of phase coexistence through a constant density simulation in which the temperature is changed in a single time-step (quenching) in order to place the system in a thermodynamically and mechanically unstable state, resulting in spontaneous separation of two coexisting phases. The results obtained from this temperature quench MD method also show the coexistence of vapor-liquid phase in pair-ion plasmas. The critical exponents obtained directly from MD simulation are found to be in close agreement with the values predicted by a mean-field theory.

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

    NASA Astrophysics Data System (ADS)

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

    2001-03-01

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

  17. Magnetic susceptibility and exchange coupling in the mineral ardennite

    USGS Publications Warehouse

    Thorpe, A.N.; Senftle, F.E.; Donnay, G.

    1969-01-01

    Ardennite, a rare silicate mineral, contains about 19 wt.% manganese. Some of the manganese atoms are in positions which are close enough to allow negative exchange and hence a reduction of the total magnetic susceptibility. It is shown that the susceptibility can be accounted for approximately by the treatment of Earnshaw and Lewis (1958) for S = 5 2 and a Hamiltonian H = -2g??Hb-2JS1??S2. ?? 1969.

  18. Disentangling the exchange coupling of entangled donors in the Si quantum computer architecture.

    PubMed

    Koiller, Belita; Hu, Xuedong; Drew, H D; Sarma, S Das

    2003-02-14

    We develop a theory for micro-Raman scattering by single and coupled two-donor states in silicon. We find the Raman spectra to have significant dependence on the donor exchange splitting and the relative spatial positions of the two-donor sites. In particular, we establish a strong correlation between the temperature dependence of the Raman peak intensity and the interdonor exchange coupling. Micro-Raman scattering can therefore potentially become a powerful tool to measure interqubit coupling in the development of a Si quantum computer architecture.

  19. Radical-pair model of magnetoreception with spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Lambert, Neill; De Liberato, Simone; Emary, Clive; Nori, Franco

    2013-08-01

    The mechanism used by migratory birds to orientate themselves using the geomagnetic field is still a mystery in many species. The radical pair mechanism, in which very weak magnetic fields can influence certain types of spin-dependent chemical reactions, leading to biologically observable signals, has recently imposed itself as one of the most promising candidates for certain species. This is thanks both to its extreme sensitivity and its capacity to reproduce results from behavioral studies. Still, in order to gain a directional sensitivity, an anisotropic mechanism is needed. Recent proposals have explored the possibility that such an anisotropy is due to the electron-nucleus hyperfine interaction. In this work we explore a different possibility, in which the anisotropy is due to spin-orbit coupling between the electron spin and its angular momentum. We will show how a spin-orbit coupling-based magnetic compass can have performances comparable with the usually studied nuclear hyperfine based mechanism. Our results could thus help researchers actively looking for candidate biological molecules which may host magnetoreceptive functions, both to describe magnetoreception in birds as well as to develop artificial chemical compass systems.

  20. Synthetic dimensions in the strong-coupling limit: Supersolids and pair superfluids

    NASA Astrophysics Data System (ADS)

    Bilitewski, Thomas; Cooper, Nigel R.

    2016-08-01

    We study the many-body phases of bosonic atoms with N internal states confined to a one-dimensional (1D) optical lattice under the influence of a synthetic magnetic field and strong repulsive interactions. The N internal states of the atoms are coupled via Raman transitions creating the synthetic magnetic field in the space of internal spin states corresponding to recent experimental realizations. We focus on the case of strong SU(N ) invariant local density-density interactions in which each site of the 1D lattice is at most singly occupied, and strong Raman coupling, in distinction to previous work which has focused on the weak Raman coupling case. This allows us to keep only a single state per site and derive a low-energy effective spin-1 /2 model. The effective model contains first-order nearest-neighbor tunneling terms, second-order nearest-neighbor interactions, and correlated next-nearest-neighbor tunneling terms. By adjusting the flux ϕ , one can tune the relative importance of first-order and second-order terms in the effective Hamiltonian. In particular, first-order terms can be set to zero, realizing a model with dominant second-order terms. We show that the resulting competition between density-dependent tunneling and repulsive density-density interaction leads to an interesting phase diagram including a phase with long-range pair-superfluid correlations. The method can be straightforwardly extended to higher dimensions and lattices of arbitrary geometry, including geometrically frustrated lattices where the interplay of frustration, interactions, and kinetic terms is expected to lead to even richer physics.

  1. Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory.

    PubMed

    Liakos, Dimitrios G; Sparta, Manuel; Kesharwani, Manoj K; Martin, Jan M L; Neese, Frank

    2015-04-14

    The domain based local pair natural orbital coupled cluster method with single-, double-, and perturbative triple excitations (DLPNO–CCSD(T)) is an efficient quantum chemical method that allows for coupled cluster calculations on molecules with hundreds of atoms. Because coupled-cluster theory is the method of choice if high-accuracy is needed, DLPNO–CCSD(T) is very promising for large-scale chemical application. However, the various approximations that have to be introduced in order to reach near linear scaling also introduce limited deviations from the canonical results. In the present work, we investigate how far the accuracy of the DLPNO–CCSD(T) method can be pushed for chemical applications. We also address the question at which additional computational cost improvements, relative to the previously established default scheme, come. To answer these questions, a series of benchmark sets covering a broad range of quantum chemical applications including reaction energies, hydrogen bonds, and other noncovalent interactions, conformer energies, and a prototype organometallic problem were selected. An accuracy of 1 kcal/mol or better can readily be obtained for all data sets using the default truncation scheme, which corresponds to the stated goal of the original implementation. Tightening of the three thresholds that control DLPNO leads to mean absolute errors and standard deviations from the canonical results of less than 0.25 kcal/mol (<1 kJ/mol). The price one has then to pay is an increased computational time by a factor close to 3. The applicability of the method is shown to be independent of the nature of the reaction. On the basis of the careful analysis of the results, three different sets of truncation thresholds (termed “LoosePNO”, “NormalPNO”, and “TightPNO”) have been chosen for “black box” use of DLPNO–CCSD(T). This will allow users of the method to optimally balance performance and accuracy. PMID:26889511

  2. Positive exchange bias observed in Pt-inserted Cr{sub 2}O{sub 3}/Co exchange coupled bilayers

    SciTech Connect

    Nozaki, T. Oida, M.; Ashida, T.; Shimomura, N.; Sahashi, M.; Shibata, T.

    2014-11-24

    We investigated the effect of Pt insertion on a Cr{sub 2}O{sub 3}/Co exchange coupling system. The perpendicular exchange bias μ{sub 0}H{sub ex} decreased with increasing Pt insertion layer thickness, and we observed positive μ{sub 0}H{sub ex} for samples with relatively thick Pt insertion layers. We also examined the cooling field μ{sub 0}H{sub fc} dependence of μ{sub 0}H{sub ex} for the samples. At small μ{sub 0}H{sub fc}, all samples exhibited negative μ{sub 0}H{sub ex}. With increasing μ{sub 0}H{sub fc}, a shift of μ{sub 0}H{sub ex} from negative to positive was observed. In the past, similar behaviors were observed for FeF{sub 2}/Fe systems exhibiting positive μ{sub 0}H{sub ex}. In addition, the μ{sub 0}H{sub fc} dependence of μ{sub 0}H{sub ex} was well fitted by an equation taking into account the Zeeman energy at the surface of an antiferromagnet as well as an antiferromagnetic exchange coupling. The results strongly suggest that (1) Cr{sub 2}O{sub 3} surface spin is affected by the external magnetic field and (2) the coupling at the Cr{sub 2}O{sub 3}/Pt/Co interface is antiferromagnetic.

  3. Energy Exchange in Driven Open Quantum Systems at Strong Coupling

    NASA Astrophysics Data System (ADS)

    Carrega, Matteo; Solinas, Paolo; Sassetti, Maura; Weiss, Ulrich

    2016-06-01

    The time-dependent energy transfer in a driven quantum system strongly coupled to a heat bath is studied within an influence functional approach. Exact formal expressions for the statistics of energy dissipation into the different channels are derived. The general method is applied to the driven dissipative two-state system. It is shown that the energy flows obey a balance relation, and that, for strong coupling, the interaction may constitute the major dissipative channel. Results in analytic form are presented for the particular value K =1/2 of strong Ohmic dissipation. The energy flows show interesting behaviors including driving-induced coherences and quantum stochastic resonances. It is found that the general characteristics persists for K near 1/2 .

  4. Roles of Surface and Interface Spins in Exchange Coupled Nanostructures

    NASA Astrophysics Data System (ADS)

    Phan, Manh-Huong

    Exchange bias (EB) in magnetic nanostructures has remained a topic of global interest because of its potential use in spin valves, MRAM circuits, magnetic tunnel junctions, and spintronic devices. The exploration of EB on the nanoscale provides a novel approach to overcoming the superparamagnetic limit and increasing the thermoremanence of magnetic nanoparticles, a critical bottleneck for magnetic data storage applications. Recent advances in chemical synthesis have given us a unique opportunity to explore the EB in a variety of nanoparticle systems ranging from core/shell nanoparticles of Fe/γFe2O3, Co/CoO,and FeO/Fe3O4 to hollow nanoparticles of γFe2O3 and hybrid composite nanoparticles of Au/Fe3O4. Our studies have addressed the following fundamental and important questions: (i) Can one decouple collective contributions of the interface and surface spins to the EB in a core/shell nanoparticle system? (ii) Can the dynamic and static response of the core and shell be identified separately? (iii) Can one tune ``minor loop'' to ``exchange bias'' effects in magnetic hollow nanoparticles by varying the number of surface spins? (iv) Can one decouple collective contributions of the inner and outer surface spins to the EB in a hollow nanoparticle system? (v) Can EB be induced in a magnetic nanoparticle by forming its interface with a non-magnetic metal? Such knowledge is essential to tailor EB in magnetic nanostructures for spintronics applications. In this talk, we will discuss the aforementioned findings in terms of our experimental and atomistic Monte Carlo studies. The work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-FG02-07ER46438.

  5. Magnetic patterning: local manipulation of the intergranular exchange coupling via grain boundary engineering

    PubMed Central

    Huang, Kuo-Feng; Liao, Jung-Wei; Hsieh, Cheng-Yu; Wang, Liang-Wei; Huang, Yen-Chun; Wen, Wei-Chih; Chang, Mu-Tung; Lo, Shen-Chuan; Yuan, Jun; Lin, Hsiu-Hau; Lai, Chih-Huang

    2015-01-01

    Magnetic patterning, with designed spatial profile of the desired magnetic properties, has been a rising challenge for developing magnetic devices at nanoscale. Most existing methods rely on locally modifying magnetic anisotropy energy or saturation magnetization, and thus post stringent constraints on the adaptability in diverse applications. We propose an alternative route for magnetic patterning: by manipulating the local intergranular exchange coupling to tune lateral magnetic properties. As demonstration, the grain boundary structure of Co/Pt multilayers is engineered by thermal treatment, where the stress state of the multilayers and thus the intergranular exchange coupling can be modified. With Ag passivation layers on top of the Co/Pt multilayers, we can hinder the stress relaxation and grain boundary modification. Combining the pre-patterned Ag passivation layer with thermal treatment, we can design spatial variations of the magnetic properties by tuning the intergranular exchange coupling, which diversifies the magnetic patterning process and extends its feasibility for varieties of new devices. PMID:26156786

  6. Ignition calculations using a reduced coupled-mode electron- ion energy exchange model*

    NASA Astrophysics Data System (ADS)

    Garbett, W. J.; Chapman, D. A.

    2016-03-01

    Coupled-mode models for electron-ion energy exchange can predict large deviations from standard binary collision models in some regimes. A recently developed reduced coupled-mode model for electron-ion energy exchange, which accurately reproduces full numerical results over a wide range of density and temperature space, has been implemented in the Nym hydrocode and used to assess the impact on ICF capsule fuel assembly and performance. Simulations show a lack of sensitivity to the model, consistent with results from a range of simpler alternative models. Since the coupled-mode model is conceptually distinct to models based on binary collision theory, this result provides increased confidence that uncertainty in electron-ion energy exchange will not impact ignition attempts.

  7. Strain-modulated antiferromagnetic spin orientation and exchange coupling in Fe/CoO(001)

    SciTech Connect

    Zhu, J.; Li, Q.; Li, J. X.; Ding, Z.; Wu, Y. Z.; Hua, C. Y.; Huang, M. J.; Lin, H.-J.; Hu, Z.; Won, C.

    2014-05-21

    The effect of CoO spin orientation on exchange coupling was investigated in single-crystalline Fe/CoO/MnO/MgO(001) systems. An antiferromagnetic CoO spin reorientation transition from the in-plane direction to the out-of-plane direction was found to be associated with the in-plane strain transition in CoO film from compression to expansion. The induced uniaxial anisotropies by exchange coupling at the Fe/CoO interface are significantly stronger for the in-plane CoO spin orientation than for the out-of-plane CoO spin orientation. Our study provides a way to modify the exchange coupling in the ferromagnetic (FM)/antiferromagnetic (AFM) bilayer by modulating the strain in the AFM film.

  8. Name-Value Pair Specification For Image Data Headers And Logical Standards For Image Data Exchange

    NASA Astrophysics Data System (ADS)

    Prewitt, J. M.; Selfridge, Peter G.; Anderson, Alicia C.

    1984-08-01

    A chronic barrier to rapid progress in image processing and pattern recognition research is the lack of a universal and facile method of transferring image data between different facilities. Comparison of different approaches and algorithms on a common data base is often the only means for establishing the validity of results. Data collected under known recording conditions is mandatory for improvement of analytic methodology, yet such valuable data is costly and time consuming to obtain. Therefore, the sharing and exchange of image data may be expendient. The proliferation of different image data formats has compouned the problem of exchange. The establishement of logical formats and standards for images and image data headers is the first step towards dissolving this barrier. This paper presents initial recommendations of the IEEE Computer Society PAMI (Pattern Analysis and Machine Intelligence) and CompMed (Computational Medicine) Technical Committees' Database Subcommittees on the first of a series of digital image data standards.

  9. Modeling and experiment reveal an unexpected stereoelectronic effect on conformation and scalar couplings of alpha-aminoorganostannanes, with possible relevance to the tin-lithium exchange reaction.

    PubMed

    Santiago, Marcelina; Low, Eddy; Chambournier, Gilles; Gawley, Robert E

    2003-10-31

    The solution conformation of N-methyl-2-(tributylstannyl)piperidines has been determined through the use of vicinal 119Sn-13C coupling constants, revealing a conformational distortion caused by an unexpected stereoelectronic effect in some cases. Specifically, the "equatorial" conformer is distorted into a half-chair, in which the nitrogen lone pair eclipses the C-Sn bond. This distortion, which "costs" approximately 1 kcal/mol, correlates with a conformational dependence of geminal 119Sn-15N couplings and a possible correlation with reactivity in the tin-lithium exchange reaction. PMID:14575474

  10. Modeling and experiment reveal an unexpected stereoelectronic effect on conformation and scalar couplings of alpha-aminoorganostannanes, with possible relevance to the tin-lithium exchange reaction.

    PubMed

    Santiago, Marcelina; Low, Eddy; Chambournier, Gilles; Gawley, Robert E

    2003-10-31

    The solution conformation of N-methyl-2-(tributylstannyl)piperidines has been determined through the use of vicinal 119Sn-13C coupling constants, revealing a conformational distortion caused by an unexpected stereoelectronic effect in some cases. Specifically, the "equatorial" conformer is distorted into a half-chair, in which the nitrogen lone pair eclipses the C-Sn bond. This distortion, which "costs" approximately 1 kcal/mol, correlates with a conformational dependence of geminal 119Sn-15N couplings and a possible correlation with reactivity in the tin-lithium exchange reaction.

  11. Thermodynamics of information exchange between two coupled quantum dots.

    PubMed

    Kutvonen, Aki; Sagawa, Takahiro; Ala-Nissila, Tapio

    2016-03-01

    We propose a setup based on two coupled quantum dots where thermodynamics of a measurement can be quantitatively characterized. The information obtained in the measurement can be utilized by performing feedback in a manner apparently breaking the second law of thermodynamics. In this way the setup can be operated as a Maxwell's demon, where both the measurement and feedback are performed separately by controlling an external parameter. This is analogous to the case of the original Szilard engine. Since the setup contains both the microscopic demon and the engine itself, the operation of the whole measurement-feedback cycle can be explained in detail at the level of single realizations. In addition, we derive integral fluctuation relations for both the bare and coarse-grained entropy productions in the setup. PMID:27078332

  12. Thermodynamics of information exchange between two coupled quantum dots

    NASA Astrophysics Data System (ADS)

    Kutvonen, Aki; Sagawa, Takahiro; Ala-Nissila, Tapio

    2016-03-01

    We propose a setup based on two coupled quantum dots where thermodynamics of a measurement can be quantitatively characterized. The information obtained in the measurement can be utilized by performing feedback in a manner apparently breaking the second law of thermodynamics. In this way the setup can be operated as a Maxwell's demon, where both the measurement and feedback are performed separately by controlling an external parameter. This is analogous to the case of the original Szilard engine. Since the setup contains both the microscopic demon and the engine itself, the operation of the whole measurement-feedback cycle can be explained in detail at the level of single realizations. In addition, we derive integral fluctuation relations for both the bare and coarse-grained entropy productions in the setup.

  13. Spin-Josephson effects in exchange coupled antiferromagnetic insulators

    NASA Astrophysics Data System (ADS)

    Liu, Yizhou; Yin, Gen; Zang, Jiadong; Lake, Roger K.; Barlas, Yafis

    2016-09-01

    The spin superfluid analogy can be extended to include Josephson-like oscillations of the spin current. In a system of two antiferromagnetic insulators (AFMIs) separated by a thin metallic spacer, a threshold spin chemical potential established perpendicular to the direction of the Néel vector field drives terahertz oscillations of the spin current. This spin current also has a nonlinear, time-averaged component which provides a "smoking gun" signature of spin superfluidity. The time-averaged spin current can be detected via the inverse spin Hall effect in a metallic spacer with large spin-orbit coupling. The physics illustrated here with AFMIs also applies to easy-plane ferromagnetic insulators. These findings may provide a new approach for experimental verification of spin superfluidity and realization of a terahertz spin oscillator.

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

    NASA Astrophysics Data System (ADS)

    Li, Dongyun; Wang, Fan; Xia, Ailin; Zhang, Lijiao; Li, Tingting; Jin, Chuangui; Liu, Xianguo

    2016-11-01

    SrFe12O19/CoFe2O4 and SrFe12O19/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.

  15. Impact of orthogonal exchange coupling on magnetic anisotropy in antiferromagnetic oxides/ferromagnetic systems

    NASA Astrophysics Data System (ADS)

    Kuświk, Piotr; Lana Gastelois, Pedro; Głowiński, Hubert; Przybylski, Marek; Kirschner, Jürgen

    2016-10-01

    The influence of interface exchange coupling on magnetic anisotropy in the antiferromagnetic oxide/Ni system is investigated. We show how interfacial exchange coupling can be employed not only to pin the magnetization of the ferromagnetic layer but also to support magnetic anisotropy to orient the easy magnetization axis perpendicular to the film plane. The fact that this effect is only observed below the Néel temperature of all investigated antiferromagnetic oxides with significantly different magnetocrystalline anisotropies gives evidence that antiferromagnetic ordering is a source of the additional contribution to the perpendicular effective magnetic anisotropy.

  16. Impact of orthogonal exchange coupling on magnetic anisotropy in antiferromagnetic oxides/ferromagnetic systems.

    PubMed

    Kuświk, Piotr; Gastelois, Pedro Lana; Głowiński, Hubert; Przybylski, Marek; Kirschner, Jürgen

    2016-10-26

    The influence of interface exchange coupling on magnetic anisotropy in the antiferromagnetic oxide/Ni system is investigated. We show how interfacial exchange coupling can be employed not only to pin the magnetization of the ferromagnetic layer but also to support magnetic anisotropy to orient the easy magnetization axis perpendicular to the film plane. The fact that this effect is only observed below the Néel temperature of all investigated antiferromagnetic oxides with significantly different magnetocrystalline anisotropies gives evidence that antiferromagnetic ordering is a source of the additional contribution to the perpendicular effective magnetic anisotropy. PMID:27589202

  17. Micromagnetic simulation of ferrimagnetic TbFeCo films with exchange coupled nanophases

    NASA Astrophysics Data System (ADS)

    Ma, Chung T.; Li, Xiaopu; Poon, S. Joseph

    2016-11-01

    Amorphous ferrimagnetic TbFeCo thin films are found to exhibit exchange bias effect near the compensation temperature by magnetic hysteresis loop measurement. The observed exchange anisotropy is believed to originate from the exchange interaction between the two nanoscale amorphous phases distributed within the films. Here, we present a computational model of phase-separated TbFeCo using micromagnetic simulation. Two types of cells with different Tb concentration are distributed within the simulated space to obtain a heterogeneous structure consisting of two nanoscale amorphous phases. Each cell contains separated Tb and FeCo components, forming two antiferromagnetically coupled sublattices. Using this model, we are able to show the existence of exchange bias effect, and the shift in hysteresis loops is in agreement with experiment. The micromagnetic model developed herein for a heterogeneous magnetic material may also account for some recent measurements of exchange bias effect in crystalline films.

  18. Homoclinic orbits and chaos in a pair of parametrically driven coupled nonlinear resonators.

    PubMed

    Kenig, Eyal; Tsarin, Yuriy A; Lifshitz, Ron

    2011-07-01

    We study the dynamics of a pair of parametrically driven coupled nonlinear mechanical resonators of the kind that is typically encountered in applications involving microelectromechanical systems (MEMS) and nanoelectromechanical systems (NEMS). We take advantage of the weak damping that characterizes these systems to perform a multiple-scales analysis and obtain amplitude equations, describing the slow dynamics of the system. This picture allows us to expose the existence of homoclinic orbits in the dynamics of the integrable part of the slow equations of motion. Using a version of the high-dimensional Melnikov approach, developed by G. Kovačič and S. Wiggins [Physica D 57, 185 (1992)], we are able to obtain explicit parameter values for which these orbits persist in the full system, consisting of both Hamiltonian and non-Hamiltonian perturbations, to form so-called Šilnikov orbits, indicating a loss of integrability and the existence of chaos. Our analytical calculations of Šilnikov orbits are confirmed numerically.

  19. Search for anomalous couplings in the decay of polarized Z bosons to tau lepton pairs

    SciTech Connect

    Torrence, E.C.

    1997-06-01

    Using a sample of 4,500 polarized Z decays to {tau} lepton pairs accumulated with the SLD detector at the SLAC Linear Collider (SLC) in 1993-95, a search has been made for anomalous couplings in the neutral current reaction e{sup +}e{sup {minus}}{yields}{tau}{sup +}{tau}{sup {minus}}. A measurement of the CP violating Weak Electric Dipole Moment (WEDM) and the CP conserving Weak Magnetic Dipole Moment (WMDM) of the {tau} lepton has been performed by considering the transverse spin polarization of {tau} leptons produced at the Z pole. Using a maximum likelihood technique, the observed {tau} decay spectra in the e, {mu}, {pi}, and {rho} decay channels are used to infer the net transverse polarization of the underlying tau leptons, and a fit for the anomalous dipole moments is performed. No evidence for these dipole movements is observed, and limits are placed on both the real and imaginary parts of the WEDM and WMDM.

  20. Homoclinic orbits and chaos in a pair of parametrically driven coupled nonlinear resonators

    NASA Astrophysics Data System (ADS)

    Kenig, Eyal; Tsarin, Yuriy A.; Lifshitz, Ron

    2011-07-01

    We study the dynamics of a pair of parametrically driven coupled nonlinear mechanical resonators of the kind that is typically encountered in applications involving microelectromechanical systems (MEMS) and nanoelectromechanical systems (NEMS). We take advantage of the weak damping that characterizes these systems to perform a multiple-scales analysis and obtain amplitude equations, describing the slow dynamics of the system. This picture allows us to expose the existence of homoclinic orbits in the dynamics of the integrable part of the slow equations of motion. Using a version of the high-dimensional Melnikov approach, developed by G. Kovačič and S. Wiggins [Physica DPDNPDT0167-278910.1016/0167-2789(92)90092-2 57, 185 (1992)], we are able to obtain explicit parameter values for which these orbits persist in the full system, consisting of both Hamiltonian and non-Hamiltonian perturbations, to form so-called Šilnikov orbits, indicating a loss of integrability and the existence of chaos. Our analytical calculations of Šilnikov orbits are confirmed numerically.

  1. Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation.

    PubMed

    van Aggelen, Helen; Yang, Yang; Yang, Weitao

    2014-05-14

    Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA), a functional of occupied and virtual orbitals, has recently known a revival within the density functional theory community. Following up on an idea introduced in our recent communication [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)], we formulate more general adiabatic connections for the correlation energy in terms of pairing matrix fluctuations described by the particle-particle (pp-) propagator. With numerical examples of the pp-RPA, the lowest-order approximation to the pp-propagator, we illustrate the potential of density functional approximations based on pairing matrix fluctuations. The pp-RPA is size-extensive, self-interaction free, fully anti-symmetric, describes the strong static correlation limit in H2, and eliminates delocalization errors in H2(+) and other single-bond systems. It gives surprisingly good non-bonded interaction energies--competitive with the ph-RPA--with the correct R(-6) asymptotic decay as a function of the separation R, which we argue is mainly attributable to its correct second-order energy term. While the pp-RPA tends to underestimate absolute correlation energies, it gives good relative energies: much better atomization energies than the ph-RPA, as it has no tendency to underbind, and reaction energies of similar quality. The adiabatic connection in terms of pairing matrix fluctuation paves the way for promising new density functional approximations.

  2. Exchange-coupling modified spin wave spectra in the perpendicularly magnetized Permalloy nanodot chain arrays

    NASA Astrophysics Data System (ADS)

    Dou, Jian; Hernandez, Sarah C.; Yu, Chengtao; Pechan, Michael J.; Folks, Liesl; Katine, Jordan A.; Carey, Matthew J.

    2010-05-01

    Spin wave spectra in exchange-coupled nanoscale dot chain arrays were studied using ferromagnetic resonance. The dot chain arrays, with dot diameters of 300 nm and thicknesses of 40 nm, coupled via Permalloy bridges of width ranging from 0 (no bridge) to 60 nm, were fabricated using e-beam lithography. In the perpendicularly magnetized isolated dots, multiple sharp ferromagnetic resonant peaks were observed, which are associated with the quantized in-plane wave vector due to the finite dot radius. These spectrum lines shift to higher fields for samples with wider bridges due to the increasing effective demagnetizing factor. For coupled dots, additional satellite peaks were observed at both sides of higher order spin wave modes and at the lower field side of the uniform mode. We show that these satellite peaks can be attributed to the excitation in each bridged dot and the interdot exchange coupling, respectively.

  3. High-Efficiency Cooper-Pair Splitter in Quantum Anomalous Hall Insulator Proximity-Coupled with Superconductor.

    PubMed

    Zhang, Ying-Tao; Deng, Xinzhou; Sun, Qing-Feng; Qiao, Zhenhua

    2015-10-09

    The quantum entanglement between two qubits is crucial for applications in the quantum communication. After the entanglement of photons was experimentally realized, much effort has been taken to exploit the entangled electrons in solid-state systems. Here, we propose a Cooper-pair splitter, which can generate spatially-separated but entangled electrons, in a quantum anomalous Hall insulator proximity-coupled with a superconductor. After coupling with a superconductor, the chiral edge states of the quantum anomalous Hall insulator can still survive, making the backscattering impossible. Thus, the local Andreev reflection becomes vanishing, while the crossed Andreev reflection becomes dominant in the scattering process. This indicates that our device can serve as an extremely high-efficiency Cooper-pair splitter. Furthermore, because of the chiral characteristic, our Cooper-pair splitter is robust against disorders and can work in a wide range of system parameters. Particularly, it can still function even if the system length exceeds the superconducting coherence length.

  4. Multiple Exchanges in Lepton Pair Production in High-Energy Heavy Ion Collisions

    SciTech Connect

    Bartos, E.; Gevorkyan, S.R.; Kuraev, E.A.; Nikolaev, N.N.

    2005-04-01

    As an archetype reaction for pQCD multigluon hard processes in collisions of ultrarelativistic nuclei, we analyze generic features of lepton pair production via multiphoton processes in peripheral heavy ion scattering. We report explicit results for collisions of two photons from one nucleus with two photons from the other nucleus, 2{gamma} + 2{gamma} {yields} l{sup +}l{sup -}. The results suggest that the familiar eikonalization of Coulomb distortions breaks down for oppositely moving Coulomb centers. The breaking of eikonalization in QED suggests that multigluon pQCD processes cannot be described in terms of collective nuclear gluon distributions. We discuss a logarithmic enhancement of the contribution from the 2{gamma} + 2{gamma} {yields} l{sup +}l{sup -} process to production of lepton pairs with large transverse momentum; similar enhancement is absent for the n{gamma} + m{gamma} {yields} l{sup +}l{sup -} processes with m, n > 2. We comment on the general structure of multiphoton collisions and properties of higher-order terms that cannot be eikonalized.

  5. Spin-triplet paired state induced by Hund's rule coupling and correlations: a fully statistically consistent Gutzwiller approach.

    PubMed

    Spałek, J; Zegrodnik, M

    2013-10-30

    The intrasite and intersite spin-triplet pairing gaps induced by interband Hund's rule coupling and their correlations are analyzed in the doubly degenerate Hubbard Hamiltonian. To include the effect of correlations, the statistically consistent Gutzwiller approximation is used. In this approach the consistency means that the averages calculated from the self-consistent equations and those determined variationally coincide with each other. Emphasis is put on the solution for which the average particle number is conserved when carrying out the Gutzwiller projection. This method leads to a stable equal-spin paired state in the so-called repulsive interactions limit (U > 3J) in the regime of moderate correlations. The interband hybridization introduces an inequivalence of the bands which, above a critical magnitude, suppresses the paired state due to both the Fermi-wavevector mismatch for the Cooper pair and the interband hopping allowed by the Pauli principle.

  6. O2 activation by binuclear Cu sites: Noncoupled versus exchange coupled reaction mechanisms

    NASA Astrophysics Data System (ADS)

    Chen, Peng; Solomon, Edward I.

    2004-09-01

    Binuclear Cu proteins play vital roles in O2 binding and activation in biology and can be classified into coupled and noncoupled binuclear sites based on the magnetic interaction between the two Cu centers. Coupled binuclear Cu proteins include hemocyanin, tyrosinase, and catechol oxidase. These proteins have two Cu centers strongly magnetically coupled through direct bridging ligands that provide a mechanism for the 2-electron reduction of O2 to a µ-2:2 side-on peroxide bridged species. This side-on bridged peroxo-CuII2 species is activated for electrophilic attack on the phenolic ring of substrates. Noncoupled binuclear Cu proteins include peptidylglycine -hydroxylating monooxygenase and dopamine -monooxygenase. These proteins have binuclear Cu active sites that are distant, that exhibit no exchange interaction, and that activate O2 at a single Cu center to generate a reactive CuII/O2 species for H-atom abstraction from the C-H bond of substrates. O2 intermediates in the coupled binuclear Cu enzymes can be trapped and studied spectroscopically. Possible intermediates in noncoupled binuclear Cu proteins can be defined through correlation to mononuclear CuII/O2 model complexes. The different intermediates in these two classes of binuclear Cu proteins exhibit different reactivities that correlate with their different electronic structures and exchange coupling interactions between the binuclear Cu centers. These studies provide insight into the role of exchange coupling between the Cu centers in their reaction mechanisms.

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

    DOE PAGESBeta

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

    2015-10-28

    In this study, 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 recoverymore » 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.« less

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

    SciTech Connect

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

    2015-10-28

    In this study, 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.

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

    PubMed Central

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

    2015-01-01

    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. PMID:26508587

  10. Effects of Exchange Energy and Spin-Orbit Coupling on Bond Energies

    ERIC Educational Resources Information Center

    Smith, Derek W.

    2004-01-01

    Since chemical reactions involve the breaking and making of bonds, understanding the relative strengths of bonds is of paramount importance in the study, teaching, and practice of chemistry. Further, it is showed that free atoms having p(super n) configuration with n = 2,3, or 4 are stabilized by exchange energy, and by spin-orbit coupling for n =…

  11. Magnetoelectric Control of Exchange Coupling in Monodomain BiFeO3 Heterostructures

    NASA Astrophysics Data System (ADS)

    Irwin, Julian; Saenrang, W.; Davidson, B.; Ryu, S.; Baek, S.-B.; Eom, C. B.; Rzchowski, M. S.; Freeland, J.

    2014-03-01

    The electric field control of magnetization via the exchange bias coupling of a ferromagnetic and antiferromagnetic orderings has exciting applications in spintronic devices such as magnetic tunnel junctions. We investigate the exchange coupling between the monodomain multiferroic BiFeO3(BFO) thin film and a ferromagnetic Co layer. Recently, X-ray magnetic circular dichromism (XMCD) has been used to observe a ~20° rotation in the magnetization of the Co when the electric polarization of the BFO is reversed. Due to the formation of an antiferromagnetic surface ``dead layer'' at high temperatures, observed using X-ray linear magnetic dichromism, this rotation is only seen at temperatures below ~150K. Here we investigate the exchange coupling using anisotropic magnetoresistance (AMR) measurements that detect changes in the magnetization of the Co layer. Out approach using AMR can be applied more generally to study exchange coupling in multiferroic systems. This work is supported by the Army Research Office under Grant No. W911NF-10-1-0362.

  12. Accurate bond energies of biodiesel methyl esters from multireference averaged coupled-pair functional calculations.

    PubMed

    Oyeyemi, Victor B; Keith, John A; Carter, Emily A

    2014-09-01

    Accurate bond dissociation energies (BDEs) are important for characterizing combustion chemistry, particularly the initial stages of pyrolysis. Here we contribute to evaluating the thermochemistry of biodiesel methyl ester molecules using ab initio BDEs derived from a multireference averaged coupled-pair functional (MRACPF2)-based scheme. Having previously validated this approach for hydrocarbons and a variety of oxygenates, herein we provide further validation for bonds within carboxylic acids and methyl esters, finding our scheme predicts BDEs within chemical accuracy (i.e., within 1 kcal/mol) for these molecules. Insights into BDE trends with ester size are then analyzed for methyl formate through methyl crotonate. We find that the carbonyl group in the ester moiety has only a local effect on BDEs. C═C double bonds in ester alkyl chains are found to increase the strengths of bonds adjacent to the double bond. An important exception are bonds beta to C═C or C═O bonds, which produce allylic-like radicals upon dissociation. The observed trends arise from different degrees of geometric relaxation and resonance stabilization in the radicals produced. We also compute BDEs in various small alkanes and alkenes as models for the long hydrocarbon chain of actual biodiesel methyl esters. We again show that allylic bonds in the alkenes are much weaker than those in the small methyl esters, indicating that hydrogen abstractions are more likely at the allylic site and even more likely at bis-allylic sites of alkyl chains due to more electrons involved in π-resonance in the latter. Lastly, we use the BDEs in small surrogates to estimate heretofore unknown BDEs in large methyl esters of biodiesel fuels.

  13. Microfluidic systems to examine intercellular coupling of pairs of cardiac myocytes.

    PubMed

    Klauke, Norbert; Smith, Godfrey; Cooper, Jonathan M

    2007-06-01

    In this paper we describe a microfluidic environment that enables us to explore cell-to-cell signalling between longitudinally linked primary heart cells. We have chosen to use pairs (or doublets) of cardiac myocyte as a model system, not only because of the importance of cell-cell signalling in the study of heart disease but also because the single cardiomyocytes are both mechanically and electrically active and their synchronous activation due to the intercellular coupling within the doublet can be readily monitored on optical and electrical recordings. Such doublets have specialised intercellular contact structures in the form of the intercalated discs, comprising the adhesive junction (fascia adherens and macula adherens or desmosome) and the connecting junction (known as gap junction). The latter structure enables adjacent heart cells to share ions, second messengers and small metabolites (<1 kDa) between them and thus provides the structural basis for the synchronous (syncytical) behaviour of connected cardiomyocytes. Using the unique environment provided by the microfluidic system, described in this paper, we explore the local ionic conditions that enable the propagation of Ca(2+) waves between two heart cells. We observe that the ability of intracellular Ca(2+) waves to traverse the intercalated discs is dependent on the relative concentrations of diastolic Ca(2+) in the two adjacent cells. These experiments rely upon our ability to independently control both the electrical stimulation of each of the cells (using integrated microelectrodes) and to rapidly change (or switch) the local concentrations of ions and drugs in the extracellular buffer within the microfluidic channel (using a nanopipetting system). Using this platform, it is also possible to make simultaneous optical recordings (including fluorescence and cell contraction) to explore the effect of drugs on one or both cells, within the doublet.

  14. Accurate bond energies of biodiesel methyl esters from multireference averaged coupled-pair functional calculations.

    PubMed

    Oyeyemi, Victor B; Keith, John A; Carter, Emily A

    2014-09-01

    Accurate bond dissociation energies (BDEs) are important for characterizing combustion chemistry, particularly the initial stages of pyrolysis. Here we contribute to evaluating the thermochemistry of biodiesel methyl ester molecules using ab initio BDEs derived from a multireference averaged coupled-pair functional (MRACPF2)-based scheme. Having previously validated this approach for hydrocarbons and a variety of oxygenates, herein we provide further validation for bonds within carboxylic acids and methyl esters, finding our scheme predicts BDEs within chemical accuracy (i.e., within 1 kcal/mol) for these molecules. Insights into BDE trends with ester size are then analyzed for methyl formate through methyl crotonate. We find that the carbonyl group in the ester moiety has only a local effect on BDEs. C═C double bonds in ester alkyl chains are found to increase the strengths of bonds adjacent to the double bond. An important exception are bonds beta to C═C or C═O bonds, which produce allylic-like radicals upon dissociation. The observed trends arise from different degrees of geometric relaxation and resonance stabilization in the radicals produced. We also compute BDEs in various small alkanes and alkenes as models for the long hydrocarbon chain of actual biodiesel methyl esters. We again show that allylic bonds in the alkenes are much weaker than those in the small methyl esters, indicating that hydrogen abstractions are more likely at the allylic site and even more likely at bis-allylic sites of alkyl chains due to more electrons involved in π-resonance in the latter. Lastly, we use the BDEs in small surrogates to estimate heretofore unknown BDEs in large methyl esters of biodiesel fuels. PMID:24621192

  15. Exchange coupling in hybrid anisotropy magnetic multilayers quantified by vector magnetometry

    SciTech Connect

    Morrison, C. Miles, J. J.; Thomson, T.; Anh Nguyen, T. N.; Fang, Y.; Dumas, R. K.; Åkerman, J.

    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.

  16. Exchange coupling in hybrid anisotropy magnetic multilayers quantified by vector magnetometry

    NASA Astrophysics Data System (ADS)

    Morrison, C.; Miles, J. J.; Anh Nguyen, T. N.; Fang, Y.; Dumas, R. K.; Åkerman, J.; Thomson, T.

    2015-05-01

    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.

  17. First-order exchange energy of intermolecular interactions from coupled cluster density matrices and their cumulants.

    PubMed

    Korona, Tatiana

    2008-06-14

    A new method for the calculation of the first-order intermolecular exchange energy is proposed. It is based on the partition of two-particle density matrices of monomers into the antisymmetrized product of one-particle density matrices and the remaining cumulant part. This partition is used to modify the formula for the first-order exchange energy developed by Moszynski et al. [J. Chem. Phys. 100, 5080 (1994)]. The new expression has been applied for the case of monomer density matrices derived from the expectation value expression for the coupled cluster singles and doubles wave function. In this way an accurate method of calculation of the first-order exchange energy for many-electron systems has been obtained, where both monomers are described on the coupled cluster level. Numerical results are presented for several benchmark van der Waals systems to illustrate the performance of the new approach.

  18. Modulation of interlayer exchange coupling strength in magnetic tunnel junctions via strain effect

    SciTech Connect

    Jiang, Xin Li, Zhipeng; Zheng, Yuankai; Kaiser, Christian; Diao, Zhitao; Fang, Jason; Leng, Qunwen

    2015-09-15

    Interlayer exchange coupling of two ferromagnetic electrodes separated by a thin MgO tunnel barrier is investigated using magneto-optical Kerr effect. We find that the coupling field can be reduced by more than 40% as the thickness of a top Ta capping layer increases from 0.5 to 1.2 nm. In contrast, a similar film stack with an additional 3 nm Ru capping layer displays no such dependence on Ta thickness. Transmission electron microscopy study shows that the oxidation of the exposed Ta capping layer induces changes in the crystalline structures of the underlying films, giving rise to the observed reduction of the interlayer coupling field.

  19. On the use of a weak-coupling thermostat in replica-exchange molecular dynamics simulations.

    PubMed

    Lin, Zhixiong; van Gunsteren, Wilfred F

    2015-07-21

    In a molecular dynamics (MD) simulation, various thermostat algorithms, including Langevin dynamics (LD), Nosé-Hoover (NH), and weak-coupling (WC) thermostats, can be used to keep the simulation temperature constant. A canonical ensemble is generated by the use of LD and NH, while the nature of the ensemble produced by WC has not yet been identified. A few years ago, it was shown that when using a WC thermostat with particular values of the temperature coupling time for liquid water at ambient temperature and pressure, the distribution of the potential energy is less wide than the canonical one. This led to an artifact in temperature replica-exchange molecular dynamics (T-REMD) simulations in which the potential energy distributions appear not to be equal to the ones of standard MD simulations. In this paper, we re-investigate this problem. We show that this artifact is probably due to the ensemble generated by WC being incompatible with the T-REMD replica-exchange criterion, which assumes a canonical configurational ensemble. We also show, however, that this artifact can be reduced or even eliminated by particular choices of the temperature coupling time of WC and the replica-exchange time period of T-REMD, i.e., when the temperature coupling time is chosen very close to the MD time step or when the exchange time period is chosen large enough. An attempt to develop a T-REMD replica-exchange criterion which is likely to be more compatible with the WC configurational ensemble is reported. Furthermore, an exchange criterion which is compatible with a microcanonical ensemble is used in total energy REMD simulations.

  20. Multidimensionally-constrained relativistic mean-field study of spontaneous fission: Coupling between shape and pairing degrees of freedom

    NASA Astrophysics Data System (ADS)

    Zhao, Jie; Lu, Bing-Nan; Nikšić, Tamara; Vretenar, Dario; Zhou, Shan-Gui

    2016-04-01

    Background: Studies of fission dynamics, based on nuclear energy density functionals, have shown that the coupling between shape and pairing degrees of freedom has a pronounced effect on the nonperturbative collective inertia and, therefore, on dynamic (least-action) spontaneous fission paths and half-lives. Purpose: The aim is to analyze the effects of particle-number fluctuation degrees of freedom on symmetric and asymmetric spontaneous fission (SF) dynamics, and to compare the findings with the results of recent studies based on the self-consistent Hartree-Fock-Bogoliubov (HFB) method. Methods: Collective potentials and nonperturbative cranking collective inertia tensors are calculated using the multidimensionally-constrained relativistic-mean-field (MDC-RMF) model. Pairing correlations are treated in the BCS approximation using a separable pairing force of finite range. Pairing fluctuations are included as a collective variable using a constraint on particle-number dispersion. Fission paths are determined with the dynamic programming method by minimizing the action in multidimensional collective spaces. Results: The dynamics of spontaneous fission of 264Fm and 250Fm are explored. Fission paths, action integrals, and corresponding half-lives computed in the three-dimensional collective space of shape and pairing coordinates, using the relativistic functional DD-PC1 and a separable pairing force of finite range, are compared with results obtained without pairing fluctuations. Results for 264Fm are also discussed in relation with those recently obtained using the HFB model. Conclusions: The inclusion of pairing correlations in the space of collective coordinates favors axially symmetric shapes along the dynamic path of the fissioning system, amplifies pairing as the path traverses the fission barriers, significantly reduces the action integral, and shortens the

  1. Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction.

    PubMed

    Ludlow, Michelle K; Skone, Jonathan H; Hammes-Schiffer, Sharon

    2008-01-17

    The impact of substituents on the vibronic coupling for the phenoxyl/phenol self-exchange reaction, which occurs by a proton-coupled electron transfer mechanism, is investigated. The vibronic couplings are calculated with a grid-based nonadiabatic method and a nuclear-electronic orbital nonorthogonal configuration interaction method. The quantitative agreement between these two methods for the unsubstituted phenoxyl/phenol system and the qualitative agreement in the predicted trends for the substituted phenoxyl/phenol systems provides a level of validation for both methods. Analysis of the results indicates that electron-donating groups enhance the vibronic coupling, while electron-withdrawing groups attenuate the vibronic coupling. Thus, if all other aspects of the reaction are the same, then electron-donating groups will increase the rate, while electron-withdrawing groups will decrease the rate. Correlations between the vibronic coupling and physical properties of the phenol are also analyzed. Negative Hammett constants correspond to higher vibronic couplings, while positive Hammett constants correspond to similar or slightly lower vibronic couplings relative to the unsubstituted phenoxyl/phenol system. In addition, lower bond dissociation enthalpies, ionization potentials, and redox potentials, as well as higher pKa values, tend to correspond to higher vibronic couplings relative to the unsubstituted phenoxyl/phenol system. The observed trends enable the prediction of the impact of general substituents on the vibronic coupling, and hence the rate, for the phenoxyl/phenol self-exchange reaction. The fundamental physical insights obtained from these studies are applicable to other proton-coupled electron transfer systems. PMID:17939710

  2. Magnetic Exchange Couplings in Heterodinuclear Complexes Based on Differential Local Spin Rotations.

    PubMed

    Joshi, Rajendra P; Phillips, Jordan J; Peralta, Juan E

    2016-04-12

    We analyze the performance of a new method for the calculation of magnetic exchange coupling parameters for the particular case of heterodinuclear transition metals complexes of Cu, Ni, and V. This method is based on a generalized perturbative approach which uses differential local spin rotations via formal Lagrange multipiers (Phillips, J. J.; Peralta, J. E. J. Chem. Phys. 2013, 138, 174115). The reliability of the calculated couplings has been assessed by comparing with results from traditional energy differences with different density functional approximations and with experimental values. Our results show that this method to calculate magnetic exchange couplings can be reliably used for heteronuclear transition metal complexes, and at the same time, that it is independent from the different mapping schemes used in energy difference methods. PMID:26953521

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

    PubMed

    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. PMID:20462180

  4. Unconventional pairings of spin-orbit coupled attractive degenerate Fermi gas in a one-dimensional optical lattice

    PubMed Central

    Liang, Junjun; Zhou, Xiaofan; Chui, Pak Hong; Zhang, Kuang; Gu, Shi-jian; Gong, Ming; Chen, Gang; Jia, Suotang

    2015-01-01

    Understanding novel pairings in attractive degenerate Fermi gases is crucial for exploring rich superfluid physics. In this report, we reveal unconventional pairings induced by spin-orbit coupling (SOC) in a one-dimensional optical lattice, using a state-of-the-art density-matrix renormalization group method. When both bands are partially occupied, we find a strong competition between the interband Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) and intraband Bardeen-Cooper-Schrieffer (BCS) pairings. In particular, for the weak and moderate SOC strengths, these two pairings can coexist, giving rise to a new phase called the FFLO-BCS phase, which exhibits a unique three-peak structure in pairing momentum distribution. For the strong SOC strength, the intraband BCS pairing always dominates in the whole parameter regime, including the half filling. We figure out the whole phase diagrams as functions of filling factor, SOC strength, and Zeeman field. Our results are qualitatively different from recent mean-field predictions. Finally, we address that our predictions could be observed in a weaker trapped potential. PMID:26443006

  5. Anisotropic magnetization relaxation in ferromagnetic multilayers with variable interlayer exchange coupling

    NASA Astrophysics Data System (ADS)

    Kravets, A. F.; Polishchuk, D. M.; Dzhezherya, Yu. I.; Tovstolytkin, A. I.; Golub, V. O.; Korenivski, V.

    2016-08-01

    The ferromagnetic resonance (FMR) linewidth and its anisotropy in F1/f /F2 /AF multilayers, where spacer f has a low Curie point compared to the strongly ferromagnetic F1 and F2, is investigated. The role of the interlayer exchange coupling in magnetization relaxation is determined experimentally by varying the thickness of the spacer. It is shown that stronger interlayer coupling via thinner spacers enhances the microwave energy exchange between the outer ferromagnetic layers, with the magnetization of F2 exchange dragged by the resonance precession in F1. A weaker mirror effect is also observed: the magnetization of F1 can be exchange dragged by the precession in F2, which leads to antidamping and narrower FMR linewidths. A theory is developed to model the measured data, which allows separating various contributions to the magnetic relaxation in the system. Key physical parameters, such as the interlayer coupling constant, in-plane anisotropy of the FMR linewidth, and dispersion of the magnetic anisotropy fields, are quantified. These results should be useful for designing high-speed magnetic nanodevices based on thermally assisted switching.

  6. Interfacial exchange coupling induced anomalous anisotropic magnetoresistance in epitaxial γ'-Fe₄N/CoN bilayers.

    PubMed

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

    2015-02-18

    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.

  7. Magnetic field-controlled hysteresis loop bias in orthogonal exchange-spring coupling composite magnetic films

    NASA Astrophysics Data System (ADS)

    Jiang, Jun; Yu, Tian; Pan, Rui; Zhang, Qin-Tong; Liu, Pan; Naganuma, Hiroshi; Oogane, Mikihiko; Ando, Yasuo; Han, Xiufeng

    2016-06-01

    The exchange bias (EB) is an effective fundamental and applicational method to realize magnetic hysteresis loop shifting. However, further manipulation of EB unidirectional anisotropy is difficult after setup using either field deposition or post-annealing. In this work, we experimentally show a new approach to control the magnetic hysteresis loop bias in a [Co(0.2)/Pd(1)]5/CoFeB orthogonal exchange-spring (ES) coupling system, where the direction and strength of unidirectional anisotropy can be easily manipulated by applying an external magnetic field.

  8. Interlayer exchange coupling between layers with perpendicular and easy-plane magnetic anisotropies

    NASA Astrophysics Data System (ADS)

    Fallarino, Lorenzo; Sluka, Volker; Kardasz, Bartek; Pinarbasi, Mustafa; Berger, Andreas; Kent, Andrew D.

    2016-08-01

    Interlayer exchange coupling between layers with perpendicular and easy-plane magnetic anisotropies separated by a non-magnetic spacer is studied using ferromagnetic resonance. The samples consist of a Co/Ni multilayer with perpendicular magnetic anisotropy and a CoFeB layer with easy-plane anisotropy separated by a variable thickness Ru layer. At a fixed frequency, we show that there is an avoided crossing of layer ferromagnetic resonance modes providing direct evidence for interlayer coupling. The mode dispersions for different Ru thicknesses are fit to a Heisenberg-type model to determine the interlayer exchange coupling strength and layer properties. The resulting interlayer exchange coupling varies continuously from antiferromagnetic to ferromagnetic as a function of the Ru interlayer thickness. These results show that the magnetic layer single domain ground state consists of magnetizations that can be significantly canted with respect to the layer planes and the canting can be tuned by varying the Ru thickness and the layer magnetic characteristics, a capability of interest for applications in spin-transfer torque devices.

  9. Exchange coupling in hard/soft-magnetic multilayer films with non-magnetic spacer layers

    NASA Astrophysics Data System (ADS)

    Cui, W. B.; Liu, W.; Gong, W. J.; Liu, X. H.; Guo, S.; Yang, F.; Wang, Z. H.; Zhang, Z. D.

    2012-04-01

    The exchange coupling in textured HM/NM/α-Fe/NM/HM multilayer films (HM = NdFeB or PrFeB hard magnetic layers; NM = nonmagnetic Mo, Cu, and Cr layer) is shown to be indirect and long-range. The influences of thickness of NM spacer layer and HM layer, the material of HM phase and NM spacer layers, and the texture of HM layer, on the effective critical correlation length (Lexeff) and exchange-coupling between soft-magnetic (SM) and HM layers are investigated. A non-linear dependence of Lexeff on the thickness of NM spacer layer is observed. Magnetostatic interaction may lead to the observed non-linear dependence.

  10. Exchange Coupling Nanophase Fe-Pd Ferromagnets Through Solid State Transformation

    SciTech Connect

    Shugart, Kathleen N.; Ludtka, Gerard Michael; Ludtka, Gail Mackiewicz-; Soffa, William A

    2011-01-01

    This study continues previous work on off stoichiometric Fe-Pd alloys using a combined reaction strategy during thermomechanical processing [1,2]. Severe plastic deformation of the initial disordered fcc gamma phase ( ), followed by heat treatment in the two phase field produces a nano-composite ferromagnet comprised of soft alpha-Fe/ferrite in a high-anisotropy L10 FePd matrix. The length scale and morphology of the transformation products have been characterized using x-ray diffraction, and scanning and transmission electron microscopy. The transformed microstructures exhibit strong texture retention similar to the stoichiometric alloy suggesting a massive ordering mode. The alloy has shown a proclivity to exchange couple at a length scale not in agreement with proposed theories of exchange coupling [3,4]. The magnetic properties were measured using standard vibrating sample magnetometry (VSM). This research has been supported by the National Science Foundation (NSF-DMR).

  11. Switching field distribution of exchange coupled ferri-/ferromagnetic composite bit patterned media

    NASA Astrophysics Data System (ADS)

    Oezelt, Harald; Kovacs, Alexander; Fischbacher, Johann; Matthes, Patrick; Kirk, Eugenie; Wohlhüter, Phillip; Heyderman, Laura Jane; Albrecht, Manfred; Schrefl, Thomas

    2016-09-01

    We investigate the switching field distribution and the resulting bit error rate of exchange coupled ferri-/ferromagnetic bilayer island arrays by micromagnetic simulations. Using islands with varying microstructure and anisotropic properties, the intrinsic switching field distribution is computed. The dipolar contribution to the switching field distribution is obtained separately by using a model of a triangular patterned island array resembling 1.4 Tb/in2 bit patterned media. Both contributions are computed for different thicknesses of the soft exchange coupled ferrimagnet and also for ferromagnetic single phase FePt islands. A bit patterned media with a bilayer structure of FeGd( 5 nm )/FePt( 5 nm ) shows a bit error rate of 10-4 with a write field of 1.16 T .

  12. Spin orbital torque driven magnetization switching in magnetic tunnel junction with inter-layer exchange coupling

    SciTech Connect

    Xu, Lei; Ma, Zhongshui; Wei, Dan

    2015-01-14

    The switching processes of elliptically shaped magnetic tunnel junction bits with the structure Ta/CoFeB/MgO/CoFeB have been studied by the micromagnetic models. By comparing the tunneling magneto-resistance minor and major loops calculated by our model with related experimental results, we found that the inter-layer exchange coupling between the two CoFeB layers and a reduced saturation magnetization M{sub s} distribution at the edge of the elliptical bit should be included. The chosen strength of the inter-layer exchange coupling also matches well with experimental observations. The current induced magnetization switching is generated from the spin Hall effect in the Ta layer. The critical switching currents calculated by our model are coincident with experiment. This shows the reliability of our micromagnetic model with the spin orbital torque term.

  13. Ferromagnetic resonance of an heterogeneous multilayer system with interlayer exchange coupling: an accessible model

    NASA Astrophysics Data System (ADS)

    Franco, A. F.; Landeros, P.

    2016-09-01

    We present a general model for the coupled magnetic resonances of an exchange interacting multilayer system, which can be implemented without complex analytical calculations or numerical simulations. The model allows one to study the spin wave modes of a multilayer structure with any number of layers, accounting for individual uniaxial and cubic anisotropies, and (static and dynamic) demagnetizing and external fields as well, assuming that only the interlayer exchange coupling mechanism is relevant between such magnetic layers. This scheme is applied to recent measurements of a NiFe/CoFe bilayer, and to studying the influence of the strength of ferromagnetic and antiferromagnetic exchange interactions and the applied field orientation on the spin wave modes and intensities of the ferromagnetic resonance response. We find that the acoustic oscillation mode tends to stabilize in frequency if the magnetizations of the layers are parallel to each other, while the optical mode stabilizes when the magnetizations are antiparallel. Furthermore, we find that each oscillation mode is governed by either the NiFe or the CoFe. The modes swap the governing layer as the perpendicular field increases, inducing a gap between their frequencies, which appears to be proportional to the exchange coupling. Finally, we find that the field linewidth of the bilayer due to Gilbert damping has a dependence on the frequency very similar to the linear dependence of the linewidth in single layers. The theoretical scheme presented here can be further used to explore magnetization dynamics in different multilayer architectures—such as exchange springs, structures with perpendicular magnetic anisotropy, and complex compositions of layer stacks—and can be useful as a basis to study multilayers with chiral and dipolar interactions.

  14. Magnetism behaviours dominated by the interplay of magnetic anisotropy and exchange coupling in local Co discs.

    PubMed

    Yang, En-Cui; Liu, Zhong-Yi; Zhang, Lei; Yang, Na; Zhao, Xiao-Jun

    2016-05-10

    Disc-like Co core-derived (4,4)- and (3,6)-connected layers, {[Co7(C2H5OH)1.5(H2O)0.5(Hdatrz)2(μ3-OH)4(ip)5]·2.5H2O·C2H5OH}n () and [Co7(H2O)4(ade)2(μ3-OH)6(sip)2]n () (Hdatrz = 3,5-diamino-1,2,4-triazole, ade(-) = adeninate, ip(2-) = isophthalate and sip(3-) = 5-sulfoisophthalate) were solvothermally generated and structurally and magnetically characterized. The effect of magnetic anisotropy and exchange coupling from the local Co cores on the resulting magnetism properties are discussed. A crystallographically asymmetric Co core in exhibited an unusual single-molecule magnet (SMM)-like response under zero dc field resulting from strong anisotropy generated by two different types of Co(II) polyhedra and highly anisotropic exchange interactions. By contrast, a highly symmetric Co disc in belonging to the C2h point group showed only strong ferromagnetic exchange, to lead to an overall ST = 7/2 spin ground-state at low temperature. Thus, the interplay of magnetic anisotropy and exchange coupling has a great and complicated influence on the overall magnetic phenomena, which should be fully considered for the design and preparation of new Co(II)-SMMs.

  15. Magnetism behaviours dominated by the interplay of magnetic anisotropy and exchange coupling in local Co discs.

    PubMed

    Yang, En-Cui; Liu, Zhong-Yi; Zhang, Lei; Yang, Na; Zhao, Xiao-Jun

    2016-05-10

    Disc-like Co core-derived (4,4)- and (3,6)-connected layers, {[Co7(C2H5OH)1.5(H2O)0.5(Hdatrz)2(μ3-OH)4(ip)5]·2.5H2O·C2H5OH}n () and [Co7(H2O)4(ade)2(μ3-OH)6(sip)2]n () (Hdatrz = 3,5-diamino-1,2,4-triazole, ade(-) = adeninate, ip(2-) = isophthalate and sip(3-) = 5-sulfoisophthalate) were solvothermally generated and structurally and magnetically characterized. The effect of magnetic anisotropy and exchange coupling from the local Co cores on the resulting magnetism properties are discussed. A crystallographically asymmetric Co core in exhibited an unusual single-molecule magnet (SMM)-like response under zero dc field resulting from strong anisotropy generated by two different types of Co(II) polyhedra and highly anisotropic exchange interactions. By contrast, a highly symmetric Co disc in belonging to the C2h point group showed only strong ferromagnetic exchange, to lead to an overall ST = 7/2 spin ground-state at low temperature. Thus, the interplay of magnetic anisotropy and exchange coupling has a great and complicated influence on the overall magnetic phenomena, which should be fully considered for the design and preparation of new Co(II)-SMMs. PMID:27089955

  16. Experiments and Simulations on a Heat Exchanger of an Automotive Exhaust Thermoelectric Generation System Under Coupling Conditions

    NASA Astrophysics Data System (ADS)

    Liu, X.; Yu, C. G.; Chen, S.; Wang, Y. P.; Su, C. Q.

    2014-06-01

    The present experimental and computational study investigates an exhaust gas waste heat recovery system for vehicles, using thermoelectric modules and a heat exchanger to produce electric power. It proposes a new plane heat exchanger of a thermoelectric generation (TEG) system, producing electricity from a limited hot surface area. To investigate the new plane heat exchanger, we make a coupling condition of heat-flow and flow-solid coupling analysis on it to obtain the temperature, heat, and pressure field of the heat exchanger, and compared it with the old heat exchanger. These fields couple together to solve the multi-field coupling of the flow, solid, and heat, and then the simulation result is compared with the test bench experiment of TEG, providing a theoretical and experimental basis for the present exhaust gas waste heat recovery system.

  17. Virtual Antiparticle Pairs, the Unit of Charge Epsilon and the QCD Coupling Alpha(sub s)

    NASA Technical Reports Server (NTRS)

    Batchelor, David

    2001-01-01

    New semi-classical models of virtual antiparticle pairs are used to compute the pair lifetimes, and good agreement with the Heisenberg lifetimes from quantum field theory (QFT) is found. When the results of the new models and QFT are combined, formulae for e and alpha(sub s)(q) are derived in terms of only h and c. The modeling method applies to both the electromagnetic and color forces. Evaluation of the action integral of potential field fluctuation for each interaction potential yields approx. = h/2 for both electromagnetic and color fluctuations, in agreement with QFT. Thus each model is a quantized semiclassical representation for such virtual antiparticle pairs, to good approximation. This work reduces the number of arbitrary parameters of the Standard Model by two from 18 to 16. These are remarkable, unexpected results from a basically classical method.

  18. Magnetic properties of exchange-coupled PtFe/Fe films with spacer layers

    NASA Astrophysics Data System (ADS)

    Cui, W. B.; Liu, W.; Yang, F.; Li, D.; Delikanli, S.; Guo, S.; Gong, W. J.; Zhang, Z. D.

    2011-04-01

    The exchange coupling between PtFe and Fe in PtFe/Fe films with Cr2O3 or Cr2O3/Cu spacer layers is indirect and long range. Microstructures of as-deposited and annealed thin films are studied. Coercivity over 10 kOe is obtained in PtFe/Cr2O3(5 Å)/Fe(25 Å) films but decrease with thicker Cr2O3 spacer layer. Comparably, coercivity can be maintained at about 10 kOe if spacer layer is changed into Cr2O3(x Å)/Cu(5 Å) (5 Å ≤ x ≤ 25 Å). For a fixed total thickness of the spacer layers, the coercivity generally decreases with gradual replacement of Cr2O3 by Cu, indicating the different effects of spacer layers on mediating the exchange coupling between PtFe and Fe. Using Cr2O3 or Cr2O3/Cu as a spacer layer is a promising way for realizing exchange-coupled PtFe/Fe composite films.

  19. Quantum interference and correlations in single dopants and exchange-coupled dopants in silicon

    NASA Astrophysics Data System (ADS)

    Salfi, Joe

    2015-03-01

    Quantum electronics exploiting the highly coherent states of single dopants in silicon invariably requires interactions between states and interfaces, and inter-dopant coupling by exchange interactions. We have developed a low temperature STM scheme for spatially resolved single-electron transport in a device-like environment, providing the first wave-function measurements of single donors and exchange-coupled acceptors in silicon. For single donors, we directly observed valley quantum interference due to linear superpositions of the valleys, and found that valley degrees of freedom are highly robust to the symmetry-breaking perturbation of nearby (3 nm) surfaces. For exchange-coupled acceptors, we measured the singlet-triplet splitting, and from the spatial tunneling probability, extracted enough information about the 2-body wavefunction amplitudes to determine the entanglement entropy, a measure of the quantum inseparability (quantum correlations) generated by the interactions between indistinguishable particles. Entanglement entropy of the J=3/2 holes was found to increase with increasing dopant distance, as Coulomb interactions overcome tunneling, coherently localizing spin towards a Heitler-London singlet, mimicing S=1/2 particles. In the future these capabilities will be exploited to peer into the inner workings of few-dopant quantum devices and shed new light on multi-dopant correlated states, engineered atom-by-atom. Work done collaboratively with J. A. Mol, R. Rahman, G. Klimeck, M. Y. Simmons, L. C. L. Hollenberg, and S. Rogge. Primary financial support from the ARC.

  20. Coupling of replica exchange simulations to a non-Boltzmann structure reservoir.

    PubMed

    Roitberg, Adrian E; Okur, Asim; Simmerling, Carlos

    2007-03-15

    Computing converged ensemble properties remains challenging for large biomolecules. Replica exchange molecular dynamics (REMD) can significantly increase the efficiency of conformational sampling by using high temperatures to escape kinetic traps. Several groups, including ours, introduced the idea of coupling replica exchange to a pre-converged, Boltzmann-populated reservoir, usually at a temperature higher than that of the highest temperature replica. This procedure reduces computational cost because the long simulation times needed for extensive sampling are only carried out for a single temperature. However, a weakness of the approach is that the Boltzmann-weighted reservoir can still be difficult to generate. We now present the idea of employing a non-Boltzmann reservoir, whose structures can be generated through more efficient conformational sampling methods. We demonstrate that the approach is rigorous and derive a correct statistical mechanical exchange criterion between the reservoir and the replicas that drives Boltzmann-weighted probabilities for the replicas. We test this approach on the trpzip2 peptide and demonstrate that the resulting thermal stability profile is essentially indistinguishable from that obtained using very long (>100 ns) standard REMD simulations. The convergence of this reservoir-aided REMD is significantly faster than for regular REMD. Furthermore, we demonstrate that modification of the exchange criterion is essential; REMD simulations using a standard exchange function with the non-Boltzmann reservoir produced incorrect results.

  1. A Mean Field Analysis of the Exchange Coupling (J) For 2- and 3-D Structured Tetracyanoethylenide (TCNE -)-based Magnets

    SciTech Connect

    McConnell, Amber C.; Fishman, Randy Scott; Miller, Joel S.

    2012-01-01

    Mean field expressions based on the simple Heisenberg model were derived to correlate the inter- and intralayer exchange coupling to the critical temperatures, Tc, for several TCNE (tetracyanoethylene) based magnets with extended 2- and 3-D structure types. These expressions were used to estimate the exchange coupling, J, for 2-D ferrimagnetic [MII(TCNE)(NCMe)2]+ (M = Mn, Fe), 3-D antiferromagnetic MnII(TCNE)[C4(CN)8]1/2, and 3-D ferrimagnetic MnII(TCNE)3/2(I3)1/2. The sign and magnitude of the exchange coupling are in accord with previously reported magnetic data.

  2. The effects of rice canopy on the air-soil exchange of polycyclic aromatic hydrocarbons and organochlorine pesticides using paired passive air samplers.

    PubMed

    Wang, Yan; Wang, Shaorui; Luo, Chunling; Li, Jun; Ming, Lili; Zhang, Gan; Li, Xiangdong

    2015-05-01

    The rice canopy in paddy fields can influence the air-soil exchange of organic chemicals. We used paired passive air samplers to assess the exchange of polycyclic aromatic hydrocarbons (PAHs) and organochlorine pesticides (OCPs) in a paddy field, South China. Levels of OCPs and light PAHs were generally higher under the canopy than above it. We found that the rice canopy can physically obstruct the evaporation of most OCPs and light PAHs, and can also act as a barrier to the gaseous deposition of p,p'-DDT and heavy PAHs. Paddy fields can behave as a secondary source of OCPs and light PAHs. The homolog patterns of these two types of chemical varied slightly between the air below and above the rice canopy, implying contributions of different sources. Paired passive air samplers can be used effectively to assess the in situ air-soil exchange of PAHs and OCPs in subtropical paddy fields.

  3. Magnetic proximity effect and interlayer exchange coupling of ferromagnetic/topological insulator/ferromagnetic trilayer

    NASA Astrophysics Data System (ADS)

    Li, Mingda; Cui, Wenping; Yu, Jin; Dai, Zuyang; Wang, Zhe; Katmis, Ferhat; Guo, Wanlin; Moodera, Jagadeesh

    2015-01-01

    The magnetic proximity effect between the topological insulator (TI) and ferromagnetic insulator (FMI) is considered to have great potential in spintronics. However, a complete determination of interfacial magnetic structure has been highly challenging. We theoretically investigate the interlayer exchange coupling of two FMIs separated by a TI thin film, and show that the particular electronic states of the TI contributing to the proximity effect can be directly identified through the coupling behavior between two FMIs, together with a tunability of the coupling constant. Such an FMI/TI/FMI structure not only serves as a platform to clarify the magnetic structure of the FMI/TI interface, but also provides insights in designing the magnetic storage devices with ultrafast response.

  4. Synthesis of Lithium Boracarbonate Ion Pairs by Copper-Catalyzed Multi-Component Coupling of Carbon Dioxide, Diboron, and Aldehydes.

    PubMed

    Carry, Béatrice; Zhang, Liang; Nishiura, Masayoshi; Hou, Zhaomin

    2016-05-17

    The catalytic selective multi-component coupling of CO2 , bis(pinacolato)diboron, LiOtBu, and a wide range of aldehydes has been achieved for the first time by using an NHC-copper catalyst. This transformation has efficiently afforded a series of novel lithium cyclic boracarbonate ion pair compounds in high yields from readily available starting materials. This protocol has not only provided a new catalytic process for the utilization of CO2 , but it has also constituted a novel route for the efficient synthesis of a new class of lithium borate compounds that might be of interest as potential electrolyte candidates for lithium ion batteries. PMID:27061244

  5. Build/couple/pair strategy for the synthesis of stereochemically diverse macrolactams via head-to-tail cyclization.

    PubMed

    Fitzgerald, Mark E; Mulrooney, Carol A; Duvall, Jeremy R; Wei, Jingqiang; Suh, Byung-Chul; Akella, Lakshmi B; Vrcic, Anita; Marcaurelle, Lisa A

    2012-02-13

    A build/couple/pair (B/C/P) strategy was employed to generate a library of 7936 stereochemically diverse 12-membered macrolactams. All 8 stereoisomers of a common linear amine precursor were elaborated to form the corresponding 8 stereoisomers of two regioisomeric macrocyclic scaffolds via head-to-tail cyclization. Subsequently, these 16 scaffolds were further diversified via capping of two amine functionalities on SynPhase Lanterns. Reagents used for solid-phase diversification were selected using a sparse matrix design strategy with the aim of maximizing coverage of chemical space while adhering to a preset range of physicochemical properties.

  6. Enhanced Cooper pairing versus suppressed phase coherence shaping the superconducting dome in coupled aluminum nanograins

    NASA Astrophysics Data System (ADS)

    Pracht, Uwe S.; Bachar, Nimrod; Benfatto, Lara; Deutscher, Guy; Farber, Eli; Dressel, Martin; Scheffler, Marc

    2016-03-01

    The development of the fundamental superconducting (SC) energy scales—the SC energy gap Δ and the superfluid stiffness J —of granular aluminum, i.e., thin films composed of coupled nanograins, is studied by means of optical THz spectroscopy. Starting from well-coupled grains, Δ grows as the grains are progressively decoupled, causing the unconventional increase of Tc with sample resistivity. When the grain coupling is suppressed further, Δ saturates while the critical temperature Tc decreases, concomitantly with a sharp decline of J , delimiting a SC dome in the phase diagram. This crossover to a phase-driven SC transition is accompanied by an optical gap surviving into the normal state above Tc. We demonstrate that granular aluminum is an ideal testbed to understand the interplay between quantum confinement and global SC phase coherence due to nanoinhomogeneity.

  7. Joint perpendicular anisotropy and strong interlayer exchange coupling in systems with thin vanadium spacers

    SciTech Connect

    Devolder, T. Le Goff, A.; Eimer, S.; Adam, J.-P.

    2015-04-28

    We study the influence of the insertion of a vanadium spacer layer between an FeCoB layer and a [Co/Ni] multilayer in an MgO substrate-based system mimicking the reference system of a perpendicular anisotropy magnetic tunnel junction. The anisotropy of the [Co/Ni] multilayer gradually improves with the vanadium thicknesses t, up to an optimized state for t = 8 Å, with little influence of the thermal annealing. The interlayer exchange coupling is ferromagnetic and very strong for t≤6 Å. It can be adjusted by thermal treatment at t = 8 Å from no coupling in the as-grown state to more than 2 mJ/m{sup 2} after 250 °C annealing. For this spacer thickness, the magnetic properties are consistent with the occurrence of a bcc (001) to an fcc (111) crystalline structure transition at the vanadium spacer. The remaining interlayer exchange coupling at t = 8 Å is still substantially higher than the one formerly obtained with a Tantalum spacer, which holds promise for further optimization of the reference layers of tunnel junctions meant for magnetic random access memories.

  8. Thickness dependence of exchange coupling in (111)-oriented perovskite oxide superlattices

    NASA Astrophysics Data System (ADS)

    Jia, Yue; Chopdekar, Rajesh V.; Arenholz, Elke; Liu, Zhiqi; Biegalski, Michael D.; Porter, Zachary D.; Mehta, Apurva; Takamura, Yayoi

    2016-03-01

    Epitaxial L a0.7S r0.3Mn O3(LSMO )/L a0.7S r0.3Fe O3 (LSFO) superlattices on (111)-oriented SrTi O3 substrates with sublayer thicknesses ranging from 3 to 60 unit cells (u.c.) were synthesized and characterized. Detailed analysis of their structural, electronic, and magnetic properties were performed to explore the effect of sublayer thickness on the magnetic structure and exchange coupling at (111)-oriented perovskite oxide interfaces. In the ultrathin limit (3-6 u.c.), we find that the antiferromagnetic (AF) properties of the LSFO sublayers are preserved with an out-of-plane canting of the AF spin axis, while the ferromagnetic (FM) properties of the LSMO sublayers are significantly depressed. For thicker LSFO layers (>9 u.c.), the out-of-plane canting of the AF spin axis is only present in superlattices with thick LSMO sublayers. As a result, exchange coupling in the form of spin-flop coupling exists only in superlattices which display both robust ferromagnetism and out-of-plane canting of the AF spin axis.

  9. Exchange-coupling modified spin wave spectra in the perpendicularly magnetized permalloy nanodot chain arrays

    NASA Astrophysics Data System (ADS)

    Dou, Jian; Hernandez, Sarah C.; Yu, Chengtao; Pechan, Michael J.; Folks, Liesl; Katine, Jordan A.; Carey, Matthew J.

    2009-03-01

    Spin wave spectra in exchange coupled nanoscale dot chain arrays were studied using ferromagnetic resonance. The dot chain arrays, with dot diameters of 300 nm and thicknesses of 40 nm, coupled via permalloy bridges of width ranging from 0 to 60 nm, were fabricated using e-beam lithography. In the perpendicularly magnetized isolated dots, multiple sharp ferromagnetic resonant peaks were observedootnotetextG.N.Kakazei et al, Appl. Phys. Lett. 85, 443 (2004), which is associated with the quantized in-plane wave vector due to the finite dot radius. These spectrum lines shift to higher fields for samples with wider bridges due to the increasing effective demagnetizing factor. Additional higher order spin wave modes were observed as satellite peaks near the resonance peaks at both higher and lower fields, with larger separation between adjacent spin wave peaks for wider bridge samples. These extra spin wave modes, associated with the inter-dot exchange coupling,will be described in detail. This work is supported by US Dept. of Energy at MU.

  10. Dynamical behavior and peak power reduction in a pair of energy storage oscillators coupled by delayed power price

    NASA Astrophysics Data System (ADS)

    Fukunaga, Tomohiro; Imasaka, Tomoaki; Ito, Akira; Sugitani, Yoshiki; Konishi, Keiji; Hara, Naoyuki

    2016-02-01

    This paper investigates dynamics of a management system for controlling a pair of energy storages. The system involves the following two characteristics: each storage behaves in a manner that reduces the number of charge noncharge cycles and begins to be charged when the price of power is lower than a particular price threshold. The price is proportional to the past total power flow from a power grid to all storages. A peak of the total power flow occurs when these storages are charged simultaneously. From the viewpoint of nonlinear dynamics, the energy storages can be considered as relaxation oscillators coupled by a delay connection. Our analytical results suggest that the peak can be reduced by inducing an antiphase synchronization in coupled oscillators. We confirm these analytical results through numerical simulations. In addition, we numerically investigate the dynamical behavior in 10 storages and find that time delay in the connection is important in reducing the peak.

  11. Dynamical behavior and peak power reduction in a pair of energy storage oscillators coupled by delayed power price.

    PubMed

    Fukunaga, Tomohiro; Imasaka, Tomoaki; Ito, Akira; Sugitani, Yoshiki; Konishi, Keiji; Hara, Naoyuki

    2016-02-01

    This paper investigates dynamics of a management system for controlling a pair of energy storages. The system involves the following two characteristics: each storage behaves in a manner that reduces the number of charge noncharge cycles and begins to be charged when the price of power is lower than a particular price threshold. The price is proportional to the past total power flow from a power grid to all storages. A peak of the total power flow occurs when these storages are charged simultaneously. From the viewpoint of nonlinear dynamics, the energy storages can be considered as relaxation oscillators coupled by a delay connection. Our analytical results suggest that the peak can be reduced by inducing an antiphase synchronization in coupled oscillators. We confirm these analytical results through numerical simulations. In addition, we numerically investigate the dynamical behavior in 10 storages and find that time delay in the connection is important in reducing the peak.

  12. Exchange coupling in metallic multilayers with a top FeRh layer

    NASA Astrophysics Data System (ADS)

    Yamada, S.; Tanikawa, K.; Hirayama, J.; Kanashima, T.; Taniyama, T.; Hamaya, K.

    2016-05-01

    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.

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

    NASA Astrophysics Data System (ADS)

    Ostrovsky, S. M.

    2011-07-01

    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.

  14. XY ring exchange model with frustrated Ising coupling on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-07-01

    We investigate the nature of a Z2-invariant XY ring-exchange interaction with a frustrated Ising coupling on the triangular lattice. Within the limits of pure XY ring-exchange interaction, we show that the classical ground state is degenerate resulting from the Z2-invariance of the Hamiltonian. Quantum fluctuations lift these classical degenerate ground states and produce an unusual state whose excitation spectrum exhibits a gapped maximum quadratic dispersion near k = 0 and vanishes at the midpoints of each side of the Brillouin zone. This result is in contrast to a gapless quadratic dispersion near k = 0 in the U(1)-invariant counterpart. We also study the effects of frustration when competing with a classically frustrated Ising interaction. We provide a glimpse into the possible quantum phases that could emerge. A comprehensive understanding of this Hamiltonian, however, cannot be elucidated analytically and requires an explicit numerical simulation.

  15. Gate-tunable indirect exchange interaction in spin-orbit-coupled mesoscopic rings

    NASA Astrophysics Data System (ADS)

    Nikoofard, H.; Heidari Semiromi, E.

    2015-05-01

    We study the carrier-mediated exchange interaction, the so-called Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling, between two magnetic impurity moments embedded in a semiconductor mesoscopic ring. We treat the ring in the presence of an Aharonov-Bohm-type magnetic flux and the Rashba and Dresselhaus spin-orbit interactions (RSOI and DSOI). Energy eigenvalues of the system are obtained within a tight-binding framework and the strength of the indirect exchange interaction vs. RSOI strengths are plotted for different values of DSOI strength. The results show that the type of the impurity magnetic order, ferromagnetic (F) or antiferromagnetic (AF), depends on the RSOI and DSOI strengths. This leads to a full electrical control on the magnetic alignment of the system through, e.g., an external gate voltage.

  16. Exchanging ligand-binding specificity between a pair of mouse olfactory receptor paralogs reveals odorant recognition principles.

    PubMed

    Baud, Olivia; Yuan, Shuguang; Veya, Luc; Filipek, Slawomir; Vogel, Horst; Pick, Horst

    2015-01-01

    A multi-gene family of ~1000 G protein-coupled olfactory receptors (ORs) constitutes the molecular basis of mammalian olfaction. Due to the lack of structural data its remarkable capacity to detect and discriminate thousands of odorants remains poorly understood on the structural level of the receptor. Using site-directed mutagenesis we transferred ligand specificity between two functionally related ORs and thereby revealed amino acid residues of central importance for odorant recognition and discrimination of the two receptors. By exchanging two of three residues, differing at equivalent positions of the putative odorant binding site between the mouse OR paralogs Olfr73 (mOR-EG) and Olfr74 (mOR-EV), we selectively changed ligand preference but remarkably also signaling activation strength in both ORs. Computer modeling proposed structural details at atomic resolution how the very same odorant molecule might interact with different contact residues to induce different functional responses in two related receptors. Our findings provide a mechanistic explanation of how the olfactory system distinguishes different molecular aspects of a given odorant molecule, and unravel important molecular details of the combinatorial encoding of odorant identity at the OR level.

  17. Exchanging ligand-binding specificity between a pair of mouse olfactory receptor paralogs reveals odorant recognition principles.

    PubMed

    Baud, Olivia; Yuan, Shuguang; Veya, Luc; Filipek, Slawomir; Vogel, Horst; Pick, Horst

    2015-01-01

    A multi-gene family of ~1000 G protein-coupled olfactory receptors (ORs) constitutes the molecular basis of mammalian olfaction. Due to the lack of structural data its remarkable capacity to detect and discriminate thousands of odorants remains poorly understood on the structural level of the receptor. Using site-directed mutagenesis we transferred ligand specificity between two functionally related ORs and thereby revealed amino acid residues of central importance for odorant recognition and discrimination of the two receptors. By exchanging two of three residues, differing at equivalent positions of the putative odorant binding site between the mouse OR paralogs Olfr73 (mOR-EG) and Olfr74 (mOR-EV), we selectively changed ligand preference but remarkably also signaling activation strength in both ORs. Computer modeling proposed structural details at atomic resolution how the very same odorant molecule might interact with different contact residues to induce different functional responses in two related receptors. Our findings provide a mechanistic explanation of how the olfactory system distinguishes different molecular aspects of a given odorant molecule, and unravel important molecular details of the combinatorial encoding of odorant identity at the OR level. PMID:26449412

  18. Exchanging ligand-binding specificity between a pair of mouse olfactory receptor paralogs reveals odorant recognition principles

    PubMed Central

    Baud, Olivia; Yuan, Shuguang; Veya, Luc; Filipek, Slawomir; Vogel, Horst; Pick, Horst

    2015-01-01

    A multi-gene family of ~1000 G protein-coupled olfactory receptors (ORs) constitutes the molecular basis of mammalian olfaction. Due to the lack of structural data its remarkable capacity to detect and discriminate thousands of odorants remains poorly understood on the structural level of the receptor. Using site-directed mutagenesis we transferred ligand specificity between two functionally related ORs and thereby revealed amino acid residues of central importance for odorant recognition and discrimination of the two receptors. By exchanging two of three residues, differing at equivalent positions of the putative odorant binding site between the mouse OR paralogs Olfr73 (mOR-EG) and Olfr74 (mOR-EV), we selectively changed ligand preference but remarkably also signaling activation strength in both ORs. Computer modeling proposed structural details at atomic resolution how the very same odorant molecule might interact with different contact residues to induce different functional responses in two related receptors. Our findings provide a mechanistic explanation of how the olfactory system distinguishes different molecular aspects of a given odorant molecule, and unravel important molecular details of the combinatorial encoding of odorant identity at the OR level. PMID:26449412

  19. Effect of exchange coupling on magnetic property in Sm-Co/α-Fe layered system

    NASA Astrophysics Data System (ADS)

    C, X. Sang; G, P. Zhao; W, X. Xia; X, L. Wan; F, J. Morvan; X, C. Zhang; L, H. Xie; J, Zhang; J, Du; A, R. Yan; P, Liu

    2016-03-01

    The hysteresis loops as well as the spin distributions of Sm-Co/α-Fe bilayers have been investigated by both three-dimensional (3D) and one-dimensional (1D) micromagnetic calculations, focusing on the effect of the interface exchange coupling under various soft layer thicknesses ts. The exchange coupling coefficient Ahs between the hard and soft layers varies from 1.8 × 10-6 erg/cm to 0.45 × 10-6 erg/cm, while the soft layer thickness increases from 2 nm to 10 nm. As the exchange coupling decreases, the squareness of the loop gradually deteriorates, both pinning and coercive fields rise up monotonically, and the nucleation field goes down. On the other hand, an increment of the soft layer thickness leads to a significant drop of the nucleation field, the deterioration of the hysteresis loop squareness, and an increase of the remanence. The simulated loops based on the 3D and 1D methods are consistent with each other and in good agreement with the measured loops for Sm-Co/α-Fe multilayers. Project supported by the National Natural Science Foundation of China (Grant Nos. 11074179 and 10747007), the National Basic Research Program of China (Grant No. 2014CB643702), the Zhejiang Provincial Natural Science Foundation of China (Grant No. LY14E010006), the Construction Plan for Scientific Research Innovation Teams of Universities in Sichuan Province, China (Grant No. 12TD008), the Scientific Research Foundation for the Returned Overseas Chinese Scholars of the Education Ministry, China, and the Program for Key Science and Technology Innovation Team of Zhejiang Province, China (Grant No. 2013TD08).

  20. Quantum transport through a multi-quantum-dot-pair chain side-coupled with Majorana bound states

    NASA Astrophysics Data System (ADS)

    Zhao-Tan, Jiang; Cheng-Cheng, Zhong

    2016-06-01

    We investigate the quantum transport properties through a special kind of quantum dot (QD) system composed of a serially coupled multi-QD-pair (multi-QDP) chain and side-coupled Majorana bound states (MBSs) by using the Green functions method, where the conductance can be classified into two kinds: the electron tunneling (ET) conductance and the Andreev reflection (AR) one. First we find that for the nonzero MBS-QDP coupling a sharp AR-induced zero-bias conductance peak with the height of e 2/h is present (or absent) when the MBS is coupled to the far left (or the other) QDP. Moreover, the MBS-QDP coupling can suppress the ET conductance and strengthen the AR one, and further split into two sub-peaks each of the total conductance peaks of the isolated multi-QDPs, indicating that the MBS will make obvious influences on the competition between the ET and AR processes. Then we find that the tunneling rate Γ L is able to affect the conductances of leads L and R in different ways, demonstrating that there exists a Γ L-related competition between the AR and ET processes. Finally we consider the effect of the inter-MBS coupling on the conductances of the multi-QDP chains and it is shown that the inter-MBS coupling will split the zero-bias conductance peak with the height of e 2/h into two sub-peaks. As the inter-MBS coupling becomes stronger, the two sub-peaks are pushed away from each other and simultaneously become lower, which is opposite to that of the single QDP chain where the two sub-peaks with the height of about e 2/2h become higher. Also, the decay of the conductance sub-peaks with the increase of the MBS-QDP coupling becomes slower as the number of the QDPs becomes larger. This research should be an important extension in studying the transport properties in the kind of QD systems coupled with the side MBSs, which is helpful for understanding the nature of the MBSs, as well as the MBS-related QD transport properties. Project supported by the National Natural

  1. Long range coupling between defect centres in inorganic nanostructures: Valence alternation pairs in nanoscale silica

    NASA Astrophysics Data System (ADS)

    Zwijnenburg, M. A.; Illas, F.; Bromley, S. T.

    2012-10-01

    Valence alternation pair (VAP) states are formed by a closed-shell combination of two space- and charge-separated topological defect centres. These pairs of defects, although historically invoked to explain the electronic properties of bulk inorganic glassy materials (e.g., amorphous silicon dioxide) via the concept of negative-U defects, have more recently been found in a number of theoretical studies of silica surfaces and nanoscale silica clusters. Using density functional theory we systematically probe the structure and internal stability of VAPs in a number of silica nanoclusters with respect to the separation of the two constituent defect centres. We find that VAP states in nanosilica are strongly stabilised by the attractive electrostatic interaction between their separated oppositely charged component defects such that VAPs can persist up to an internal separation of a least 1.5 nanometres. Beyond this distance VAPs become unstable with respect to an open-shell combination of topological defects, virtually indistinguishable from two isolated open-shell defect centres. Finally, we theoretically analyse the possibility of experimental observation of VAP states through their infra-red vibrational spectra.

  2. Microwave-assisted shingled magnetic recording simulations on an exchange-coupled composite medium

    NASA Astrophysics Data System (ADS)

    Tanaka, T.; Kashiwagi, S.; Kanai, Y.; Matsuyama, K.

    2016-10-01

    The potential of microwave-assisted magnetic recording combined with the shingled recording scheme has been studied by simulating read/write processes on exchange-coupled composite media focusing on recording characteristics in the cross-track direction. Microwave fields enhance writability, especially at the track edge, resulting in lower noise and higher signal-to-noise ratio (SNR), which enables higher track density in the shingled recording scheme. Read/write simulations of microwave-assisted shingled recording achieve 1.4 Mtracks/in. while retaining high SNR. Further increases in SNR and track density will require either a narrower reader or track edge noise reduction.

  3. Kondo Resonance of a Co Atom Exchange Coupled to a Ferromagnetic Tip

    NASA Astrophysics Data System (ADS)

    Choi, D.-J.; Guissart, S.; Ormaza, M.; Bachellier, N.; Bengone, O.; Simon, P.; Limot, L.

    2016-10-01

    The Kondo effect of a Co atom on Cu(100) was investigated with a low-temperature scanning tunneling microscope using a monoatomically sharp nickel tip. Upon a tip-Co contact, the differential conductance spectra exhibit a spin-split asymmetric Kondo resonance. The computed ab initio value of the exchange coupling is too small to suppress the Kondo effect, but sufficiently large to produce the splitting observed. A quantitative analysis of the line shape using the numerical renormalization group technique indicates that the junction spin polarization is weak.

  4. Photoregenerative I⁻/I₃⁻ couple as a liquid cathode for proton exchange membrane fuel cell.

    PubMed

    Liu, Zhen; Wang, Yadong; Ai, Xinping; Tu, Wenmao; Pan, Mu

    2014-10-28

    A photoassisted oxygen reduction reaction (ORR) through I(-)/I3(-) redox couple was investigated for proton exchange membrane (PEM) fuel cell cathode reaction. The I(-)/I3(-)-based liquid cathode was used to replace conventional oxygen cathode, and its discharge product I(-) was regenerated to I3(-) by photocatalytic oxidation with the participation of oxygen. This new and innovative approach may provide a strategy to eliminate the usage of challenging ORR electrocatalysts, resulting in an avenue for developing low-cost and high-efficiency PEM fuel cells.

  5. Analysis of phosphorus herbicides by ion-pairing reversed-phase liquid chromatography coupled to inductively coupled plasma mass spectrometry with octapole reaction cell.

    PubMed

    Sadi, Baki B M; Vonderheide, Anne P; Caruso, Joseph A

    2004-09-24

    A reversed phase ion-pairing high performance liquid chromatographic (RPIP-HPLC) method is developed for the separation of two phosphorus herbicides, Glufosinate and Glyphosate as well as Aminomethylphosphonic acid (AMPA), the major metabolite of Glyphosate. Tetrabutylammonium hydroxide is used as the ion-pairing reagent in conjunction with an ammonium acetate/acetic acid buffering system at pH 4.7. An inductively coupled plasma mass spectrometer (ICP-MS) is coupled to the chromatographic system to detect the herbicides at m/z = 31P. Historically, phosphorus has been recognized as one of the elements difficult to analyze in argon plasma. This is due to its relatively high ionization potential (10.5 eV) as well as the inherent presence of the polyatomic interferences 14N16O1H+ and 15N16O+ overlapping its only isotope at m/z = 31. An octapole reaction cell is utilized to minimize the isobaric polyatomic interferences and to obtain the highest signal-to-background ratio. Detection limits were found to be in the low ppt range (25-32 ng/l). The developed method is successfully applied to the analysis of water samples collected from the Ohio River and spiked with a standard compounds at a level of 20 microg/l.

  6. Long-range coupling of electron-hole pairs in spatially separated organic donor-acceptor layers.

    PubMed

    Nakanotani, Hajime; Furukawa, Taro; Morimoto, Kei; Adachi, Chihaya

    2016-02-01

    Understanding exciton behavior in organic semiconductor molecules is crucial for the development of organic semiconductor-based excitonic devices such as organic light-emitting diodes and organic solar cells, and the tightly bound electron-hole pair forming an exciton is normally assumed to be localized on an organic semiconducting molecule. We report the observation of long-range coupling of electron-hole pairs in spatially separated electron-donating and electron-accepting molecules across a 10-nanometers-thick spacer layer. We found that the exciton energy can be tuned over 100 megaelectron volts and the fraction of delayed fluorescence can be increased by adjusting the spacer-layer thickness. Furthermore, increasing the spacer-layer thickness produced an organic light-emitting diode with an electroluminescence efficiency nearly eight times higher than that of a device without a spacer layer. Our results demonstrate the first example of a long-range coupled charge-transfer state between electron-donating and electron-accepting molecules in a working device.

  7. Dislocation network with pair-coupling structure in {111} γ/γ' interface of Ni-based single crystal superalloy.

    PubMed

    Ru, Yi; Li, Shusuo; Zhou, Jian; Pei, Yanling; Wang, Hui; Gong, Shengkai; Xu, Huibin

    2016-01-01

    The γ/γ' interface dislocation network is reported to improve the high temperature creep resistance of single crystal superalloys and is usually found to deposit in {001} interface. In this work, a new type of dislocation network was found in {111} γ/γ' interface at a single crystal model superalloy crept at 1100 °C/100 MPa. The dislocations in the network are screw with Burgers vectors of 1/2 a<110> and most interestingly, they exhibit a pair-coupling structure. Further investigation indicates that the formation of {111} interface dislocation network occurs when the γ' raft structure begins to degrade by the dislocations cutting into the rafted γ' through the interface. In this condition, the pair-coupling structure is established by the dislocations gliding in a single {111} plane of γ', in order to remove the anti-phase boundary in γ'; these dislocations also act as diffusion channels for dissolving of the γ' particle that is unstable under the interfacial stress from lattice misfit, which leads to the formation of {111}-type zigzag interface. The formation of this network arises as a consequence of more negative misfit, low-alloying γ' particle and proper test conditions of temperature and stress. PMID:27511822

  8. Long-range coupling of electron-hole pairs in spatially separated organic donor-acceptor layers

    PubMed Central

    Nakanotani, Hajime; Furukawa, Taro; Morimoto, Kei; Adachi, Chihaya

    2016-01-01

    Understanding exciton behavior in organic semiconductor molecules is crucial for the development of organic semiconductor-based excitonic devices such as organic light-emitting diodes and organic solar cells, and the tightly bound electron-hole pair forming an exciton is normally assumed to be localized on an organic semiconducting molecule. We report the observation of long-range coupling of electron-hole pairs in spatially separated electron-donating and electron-accepting molecules across a 10-nanometers-thick spacer layer. We found that the exciton energy can be tuned over 100 megaelectron volts and the fraction of delayed fluorescence can be increased by adjusting the spacer-layer thickness. Furthermore, increasing the spacer-layer thickness produced an organic light-emitting diode with an electroluminescence efficiency nearly eight times higher than that of a device without a spacer layer. Our results demonstrate the first example of a long-range coupled charge-transfer state between electron-donating and electron-accepting molecules in a working device. PMID:26933691

  9. Dislocation network with pair-coupling structure in {111} γ/γ' interface of Ni-based single crystal superalloy.

    PubMed

    Ru, Yi; Li, Shusuo; Zhou, Jian; Pei, Yanling; Wang, Hui; Gong, Shengkai; Xu, Huibin

    2016-08-11

    The γ/γ' interface dislocation network is reported to improve the high temperature creep resistance of single crystal superalloys and is usually found to deposit in {001} interface. In this work, a new type of dislocation network was found in {111} γ/γ' interface at a single crystal model superalloy crept at 1100 °C/100 MPa. The dislocations in the network are screw with Burgers vectors of 1/2 a<110> and most interestingly, they exhibit a pair-coupling structure. Further investigation indicates that the formation of {111} interface dislocation network occurs when the γ' raft structure begins to degrade by the dislocations cutting into the rafted γ' through the interface. In this condition, the pair-coupling structure is established by the dislocations gliding in a single {111} plane of γ', in order to remove the anti-phase boundary in γ'; these dislocations also act as diffusion channels for dissolving of the γ' particle that is unstable under the interfacial stress from lattice misfit, which leads to the formation of {111}-type zigzag interface. The formation of this network arises as a consequence of more negative misfit, low-alloying γ' particle and proper test conditions of temperature and stress.

  10. Oxygen isotope exchange kinetics of mineral pairs in closed and open systems: Applications to problems of hydrothermal alteration of igneous rocks and Precambrian iron formations

    USGS Publications Warehouse

    Gregory, R.T.; Criss, R.E.; Taylor, H.P.

    1989-01-01

    The systematics of stable-isotope exchange between minerals and fluids are examined in the context of modal mineralogical variations and mass-balance considerations, both in closed and in open systems. On mineral-pair ??18O plots, samples from terranes that have exchanged with large amounts of fluid typically map out steep positively-sloped non-equilibrium arrays. Analytical models are derived to explain these effects; these models allow for different exchange rates between the various minerals and the external fluids, as well as different fluid fluxes. The steep arrays are adequately modelled by calculated isochron lines that involve the whole family of possible exchange trajectories. These isochrons have initially-steep near-vertical positive slopes that rotate toward a 45?? equilibrium slope as the exchange process proceeds to completion. The actual data-point array is thus analogous to the hand of an "isotopic clock" that measures the duration of the hydrothermal episode. The dimensionless ratio of the volumetric fluid flux to the kinetic rate parameter ( u k) determines the shape of each individual exchange trajectory. In a fluid-buffered system ( u k ??? 1), the solutions to the equations: (1) are independent of the mole fractions of the solid phases; (2) correspond to Taylor's open-system water/rock equation; and (3) yield straight-line isochrons that have slopes that approach 1 f, where f is the fraction reacted of the more sluggishly exchanging mineral. The isochrons for this simple exchange model are closely congruent with the isochrons calculated for all of the more complex models, thereby simplifying the application of theory to actual hydrothermal systems in nature. In all of the models an order of magnitude of time (in units of kt) separates steep non-equilibrium arrays (e.g., slope ??? 10) from arrays approaching an equilibrium slope of unity on a ??-?? diagram. Because we know the approximate lifetimes of many hydrothermal systems from geologic and

  11. Paired suicide in a young refugee couple on the Thai-Myanmar border.

    PubMed

    Fellmeth, Gracia; Oo, May May; Lay, Billion; McGready, Rose

    2016-01-01

    A young refugee woman attended antenatal clinic on the Thai-Myanmar border at 9 weeks' gestation. As part of an ongoing study of perinatal mental health, she underwent a structured psychiatric interview during which she described occasional depressed mood, anhedonia and passive suicidal ideation. Her husband was a young refugee known to use alcohol and drugs. 2 days later, the couple committed suicide together by herbicide ingestion. Refugee populations are at risk of developing mental disorders as a result of their marginalised status, socioeconomic disadvantage and exposures to trauma. Pregnancy may have exacerbated feelings of hopelessness in this couple. The prevalence of mental disorders such as depression is increased in the perinatal period and suicide is the second leading cause of death in young women globally. Prevention programmes and early recognition of mental disorders may improve detection and lead to better support for vulnerable individuals. PMID:27635059

  12. Paired suicide in a young refugee couple on the Thai-Myanmar border.

    PubMed

    Fellmeth, Gracia; Oo, May May; Lay, Billion; McGready, Rose

    2016-09-15

    A young refugee woman attended antenatal clinic on the Thai-Myanmar border at 9 weeks' gestation. As part of an ongoing study of perinatal mental health, she underwent a structured psychiatric interview during which she described occasional depressed mood, anhedonia and passive suicidal ideation. Her husband was a young refugee known to use alcohol and drugs. 2 days later, the couple committed suicide together by herbicide ingestion. Refugee populations are at risk of developing mental disorders as a result of their marginalised status, socioeconomic disadvantage and exposures to trauma. Pregnancy may have exacerbated feelings of hopelessness in this couple. The prevalence of mental disorders such as depression is increased in the perinatal period and suicide is the second leading cause of death in young women globally. Prevention programmes and early recognition of mental disorders may improve detection and lead to better support for vulnerable individuals.

  13. Strong Exchange Coupling in a Trimetallic Radical-Bridged Cobalt(II)-Hexaazatrinaphthylene Complex.

    PubMed

    Moilanen, Jani O; Chilton, Nicholas F; Day, Benjamin M; Pugh, Thomas; Layfield, Richard A

    2016-04-25

    Reducing hexaazatrinaphthylene (HAN) with potassium in the presence of 18-c-6 produces [{K(18-c-6)}HAN], which contains the S=1/2 radical [HAN](.-) . The [HAN](.-) radical can be transferred to the cobalt(II) amide [Co{N(SiMe3 )2 }2 ], forming [K(18-c-6)][(HAN){Co(N'')2 }3 ]; magnetic measurements on this compound reveal an S=4 spin system with strong cobalt-ligand antiferromagnetic exchange and J≈-290 cm(-1) (-2 J formalism). In contrast, the Co(II) centres in the unreduced analogue [(HAN){Co(N'')2 }3 ] are weakly coupled (J≈-4.4 cm(-1) ). The finding that [HAN](.-) can be synthesized as a stable salt and transferred to cobalt introduces potential new routes to magnetic materials based on strongly coupled, triangular HAN building blocks. PMID:26997130

  14. Magnetic interactions in exchange-coupled yet unbiased IrMn/NiCu bilayers

    NASA Astrophysics Data System (ADS)

    Cichelero, R.; Harres, A.; Sossmeier, K. D.; Schmidt, J. E.; Geshev, J.

    2013-10-01

    This paper reports experimental and model magnetization results obtained on exchange-coupled ferromagnet/antiferromagnet (FM/AF) bilayers that show zero net bias. The coercivity of the films, either irradiated with He or implanted with Ge ions at 40 keV, varies significantly with the fluence used. We employed the remanence plots technique in order to estimate the nature of the interactions present and check if there exists a correlation between their type and the coercivity variations. The analysis of the remanence plots through numerical simulations based on the Landau-Lifshitz-Gilbert equation demonstrated that outcomes of interactions within the FM layer could be distinguished from those coming from coupling at the FM/AF interface and that demagnetizing interaction effects could be achieved without the presence of dipolar interactions. Our findings indicate that such experiments could give selective information on modifications caused by a post-deposition treatment in each layer of the film.

  15. Numerical Analysis on Optimization of a Fin and Tube Type Adsorber/Desorber Heat Exchanger using ACF/C2H5OH Pair

    NASA Astrophysics Data System (ADS)

    Kariya, Keishi; Kuwahara, Ken; Koyama, Shigeru

    This study deals with a two dimensional numerical analysis of the fin and tube type adsorber/desorber heat exchanger design such as fin height, fin pitch, fin thickness and tube diameter effect on the performance of closed adsorption cooling system with activated carbon fiber (ACF) of type A-20, which has relatively higher surface area, and ethanol pair. The simulation results show that the fin tube diameter is effective on the performance of the heat exchanger. It is also found that the cycle COP can be optimized in the condition of fin pitch 4.5mm and fin height 20mm, respectively when other parameters are fixed.

  16. Thermally activated switching at long time scales in exchange-coupled magnetic grains

    NASA Astrophysics Data System (ADS)

    Almudallal, Ahmad M.; Mercer, J. I.; Whitehead, J. P.; Plumer, M. L.; van Ek, J.; Fal, T. J.

    2015-10-01

    Rate coefficients of the Arrhenius-Néel form are calculated for thermally activated magnetic moment reversal for dual layer exchange-coupled composite (ECC) media based on the Langer formalism and are applied to study the sweep rate dependence of M H hysteresis loops as a function of the exchange coupling I between the layers. The individual grains are modeled as two exchange-coupled Stoner-Wohlfarth particles from which the minimum energy paths connecting the minimum energy states are calculated using a variant of the string method and the energy barriers and attempt frequencies calculated as a function of the applied field. The resultant rate equations describing the evolution of an ensemble of noninteracting ECC grains are then integrated numerically in an applied field with constant sweep rate R =-d H /d t and the magnetization calculated as a function of the applied field H . M H hysteresis loops are presented for a range of values I for sweep rates 105Oe /s ≤R ≤1010Oe /s and a figure of merit that quantifies the advantages of ECC media is proposed. M H hysteresis loops are also calculated based on the stochastic Landau-Lifshitz-Gilbert equations for 108Oe /s ≤R ≤1010Oe /s and are shown to be in good agreement with those obtained from the direct integration of rate equations. The results are also used to examine the accuracy of certain approximate models that reduce the complexity associated with the Langer-based formalism and which provide some useful insight into the reversal process and its dependence on the coupling strength and sweep rate. Of particular interest is the clustering of minimum energy states that are separated by relatively low-energy barriers into "metastates." It is shown that while approximating the reversal process in terms of "metastates" results in little loss of accuracy, it can reduce the run time of a kinetic Monte Carlo (KMC) simulation of the magnetic decay of an ensemble of dual layer ECC media by 2 -3 orders of magnitude

  17. Microphysics of mass-transport in coupled droplet-pairs at low Reynolds number and the role of convective dynamics

    NASA Astrophysics Data System (ADS)

    Dong, Qingming; Sau, Amalendu

    2016-06-01

    Interfacial mass-transport and redistribution in the micro-scale liquid droplets are important in diverse fields of research interest. The role of the "inflow" and the "outflow" type convective eddy-pairs in the entrainment of outer solute and internal relocation are examined for different homogeneous and heterogeneous water droplet pairs appearing in a tandem arrangement. Two micro-droplets of pure (rain) water interact with an oncoming outer air stream (Re ≤ 100) contaminated by uniformly distributed SO2. By virtue of separation/attachment induced non-uniform interfacial shear-stress gradient, the well-defined inflow/outflow type pairs of recirculating eddy-based convective motion quickly develops, and the eddies effectively attract/repel the accumulated outer solute and control the physical process of mass-transport in the droplet-pair. The non-uniformly shear-driven flow interaction and bifurcation of the circulatory internal flow lead to growth of important micro-scale "secondary" eddies which suitably regroup with the adjacent "primary" one to create the sustained inflow/outflow type convective dynamics. The presently derived flow characteristics and in-depth analysis help to significantly improve our understanding of the micro-droplet based transport phenomena in a wider context. By tuning "Re" (defined in terms of the droplet diameter and the average oncoming velocity of the outer air) and gap-ratio "α," the internal convective forcing and the solute entrainment efficiency could be considerably enhanced. The quantitative estimates for mass entrainment, convective strength, and saturation characteristics for different coupled micro-droplet pairs are extensively examined here for 0.2 ≤ α ≤ 2.0 and 30 ≤ Re ≤ 100. Interestingly, for the compound droplets, with suitably tuned radius-ratio "B" (of upstream droplet with respect to downstream one) the generated "inflow" type coherent convective dynamics helped to significantly augment the centre

  18. Exchange bias and coercivity for ferromagnets coupled to the domain state and spin glass state

    NASA Astrophysics Data System (ADS)

    Zhan, Xiaozhi; Mao, Zhongquan; Chen, Xi

    2016-05-01

    The exchange bias (EB) effect for systems with a ferromagnetic (FM) layer coupled to bond-diluted pinning layers has been investigated by Monte Carlo simulations. Two bond dilution concentrations are chosen to obtain two kinds of pinning layers: the antiferromagnetic domain state (DS) and the spin glass (SG) state. It is found that when coupled to the more disordered SG state, the ferromagnet shows enhanced EB with higher coercivity due to larger amounts of both frozen and reversible spins at the pinning interface. Spin configurations of the FM/DS interface layer reveal that reversible spins are mostly found in domain boundaries and small domains, while most spins in large domains maintain antiferromagnetic coupling and contribute to the EB effect. The coercivity is linear to the amount of interface reversible spins, but with different slopes in the temperature ranges above or below the blocking temperature t B. This bimodal temperature-dependent coercivity indicates a sudden change in macroscopic interface coupling at the temperature t B.

  19. An investigation of the liquid to glass transition using integral equations for the pair structure of coupled replicae

    SciTech Connect

    Bomont, Jean-Marc; Hansen, Jean-Pierre; Pastore, Giorgio

    2014-11-07

    Extensive numerical solutions of the hypernetted-chain (HNC) and Rogers-Young (RY) integral equations are presented for the pair structure of a system of two coupled replicae (1 and 2) of a “soft-sphere” fluid of atoms interacting via an inverse-12 pair potential. In the limit of vanishing inter-replica coupling ε{sub 12}, both integral equations predict the existence of three branches of solutions: (1) A high temperature liquid branch (L), which extends to a supercooled regime upon cooling when the two replicae are kept at ε{sub 12} = 0 throughout; upon separating the configurational and vibrational contributions to the free energy and entropy of the L branch, the Kauzmann temperature is located where the configurational entropy vanishes. (2) Starting with an initial finite coupling ε{sub 12}, two “glass” branches G{sub 1} and G{sub 2} are found below some critical temperature, which are characterized by a strong remnant spatial inter-replica correlation upon taking the limit ε{sub 12} → 0. Branch G{sub 2} is characterized by an increasing overlap order parameter upon cooling, and may hence be identified with the hypothetical “ideal glass” phase. Branch G{sub 1} exhibits the opposite trend of increasing order parameter upon heating; its free energy lies consistently below that of the L branch and above that of the G{sub 2} branch. The free energies of the L and G{sub 2} branches are found to intersect at an alleged “random first-order transition” (RFOT) characterized by weak discontinuities of the volume and entropy. The Kauzmann and RFOT temperatures predicted by RY differ significantly from their HNC counterparts.

  20. An investigation of the liquid to glass transition using integral equations for the pair structure of coupled replicae.

    PubMed

    Bomont, Jean-Marc; Hansen, Jean-Pierre; Pastore, Giorgio

    2014-11-01

    Extensive numerical solutions of the hypernetted-chain (HNC) and Rogers-Young (RY) integral equations are presented for the pair structure of a system of two coupled replicae (1 and 2) of a "soft-sphere" fluid of atoms interacting via an inverse-12 pair potential. In the limit of vanishing inter-replica coupling ɛ12, both integral equations predict the existence of three branches of solutions: (1) A high temperature liquid branch (L), which extends to a supercooled regime upon cooling when the two replicae are kept at ɛ12 = 0 throughout; upon separating the configurational and vibrational contributions to the free energy and entropy of the L branch, the Kauzmann temperature is located where the configurational entropy vanishes. (2) Starting with an initial finite coupling ɛ12, two "glass" branches G1 and G2 are found below some critical temperature, which are characterized by a strong remnant spatial inter-replica correlation upon taking the limit ɛ12 → 0. Branch G2 is characterized by an increasing overlap order parameter upon cooling, and may hence be identified with the hypothetical "ideal glass" phase. Branch G1 exhibits the opposite trend of increasing order parameter upon heating; its free energy lies consistently below that of the L branch and above that of the G2 branch. The free energies of the L and G2 branches are found to intersect at an alleged "random first-order transition" (RFOT) characterized by weak discontinuities of the volume and entropy. The Kauzmann and RFOT temperatures predicted by RY differ significantly from their HNC counterparts.

  1. Rho Family Guanine Nucleotide Exchange Factor Brx Couples Extracellular Signals to the Glucocorticoid Signaling System*

    PubMed Central

    Kino, Tomoshige; Souvatzoglou, Emanuel; Charmandari, Evangelia; Ichijo, Takamasa; Driggers, Paul; Mayers, Chantal; Alatsatianos, Anton; Manoli, Irini; Westphal, Heiner; Chrousos, George P.; Segars, James H.

    2014-01-01

    Glucocorticoids regulate many crucial biologic functions through their cytoplasmic/nuclear glucocorticoid receptors (GR). Excess, deficiency, or alteration in tissue sensitivity to glucocorticoids has been associated with major causes of human morbidity and mortality. Brx, a cytoplasmic Rho family guanine nucleotide exchange factor, binds to and influences the activity of several nuclear hormone receptors. We examined the functional and molecular interactions between GR and Brx. The glucocorticoid sensitivity of lymphocytes obtained from mice haplo-insufficient for Brx was significantly decreased. Conversely, GR-mediated transcriptional activity of a glucocorticoid response element (GRE)-mediated glucocorticoid-responsive promoter was enhanced by Brx in a guanine nucleotide exchange factor domain-dependent fashion. Brx interacted with GR, forming a ternary complex with RhoA. In a chromatin immunoprecipitation assay, Brx and RhoA were co-precipitated with GREs only in the presence of ligand-activated GR. Extracellularly administered lyso-phosphatidic acid, which activates its signaling cascade through a specific membrane GTP-binding protein (G-protein)-coupled receptor in a G-protein α13-, Brx-, and RhoA-dependent fashion, enhanced GR transcriptional activity, whereas depletion of endogenous Brx attenuated this effect. These findings suggest that glucocorticoid signaling and, hence, the tissue sensitivity to glucocorticoids, may be coupled to extracellular signals via Brx and small G-proteins. Nuclear Brx might act as a local GRE-GR-transcripto-some activator by mediating the effect of small G-proteins on glucocorticoid-regulated genes. PMID:16469733

  2. Spin–orbit torque switching without an external field using interlayer exchange coupling

    NASA Astrophysics Data System (ADS)

    Lau, Yong-Chang; Betto, Davide; Rode, Karsten; Coey, J. M. D.; Stamenov, Plamen

    2016-09-01

    Manipulation of the magnetization of a perpendicular ferromagnetic free layer by spin–orbit torque (SOT) is an attractive alternative to spin-transfer torque (STT) in oscillators and switches such as magnetic random-access memory (MRAM) where a high current is passed across an ultrathin tunnel barrier. A small symmetry-breaking bias field is usually needed for deterministic SOT switching but it is impractical to generate the field externally for spintronic applications. Here, we demonstrate robust zero-field SOT switching of a perpendicular CoFe free layer where the symmetry is broken by magnetic coupling to a second in-plane exchange-biased CoFe layer via a nonmagnetic Ru or Pt spacer. The preferred magnetic state of the free layer is determined by the current polarity and the sign of the interlayer exchange coupling (IEC). Our strategy offers a potentially scalable solution to realize bias-field-free switching that can lead to a generation of SOT devices, combining a high storage density and endurance with a low power consumption.

  3. Tailoring coercivity of unbiased exchange-coupled ferromagnet/antiferromagnet bilayers

    SciTech Connect

    Sossmeier, K. D.; Schafer, D.; Bastos, A. P. O.; Schmidt, J. E.; Geshev, J.

    2012-07-01

    This paper reports experimental results obtained on unconventional exchange-coupled ferromagnet/antiferromagnet (FM/AF) system showing zero net bias. The Curie temperature of the FM (NiCu) is lower than the blocking temperature of the AF (IrMn). Samples were either annealed or irradiated with He, Ar, or Ge ions at 40 keV. Due to the exchange coupling at the FM/AF interface, the coercivity (H{sub C}) of the as-deposited FM/AF bilayer is rather higher than that of the corresponding FM single layer. We found that by choosing a proper ion fluence or annealing temperature, it is possible to controllably vary H{sub C}. Ion irradiation of the FM single layer has lead to only a decrease of H{sub C} and annealing or He ion irradiation has not caused important changes at the FM/AF interface; nevertheless, a twofold increase of H{sub C} was obtained after these treatments. Even more significant enhancement of H{sub C} was attained after Ge ion irradiation and attributed to ion-implantation-induced modification of only the FM layer; damages of the FM/AF interface, on the other hand, decrease the coercivity.

  4. Spin-orbit torque switching without an external field using interlayer exchange coupling

    NASA Astrophysics Data System (ADS)

    Lau, Yong-Chang; Betto, Davide; Rode, Karsten; Coey, J. M. D.; Stamenov, Plamen

    2016-09-01

    Manipulation of the magnetization of a perpendicular ferromagnetic free layer by spin-orbit torque (SOT) is an attractive alternative to spin-transfer torque (STT) in oscillators and switches such as magnetic random-access memory (MRAM) where a high current is passed across an ultrathin tunnel barrier. A small symmetry-breaking bias field is usually needed for deterministic SOT switching but it is impractical to generate the field externally for spintronic applications. Here, we demonstrate robust zero-field SOT switching of a perpendicular CoFe free layer where the symmetry is broken by magnetic coupling to a second in-plane exchange-biased CoFe layer via a nonmagnetic Ru or Pt spacer. The preferred magnetic state of the free layer is determined by the current polarity and the sign of the interlayer exchange coupling (IEC). Our strategy offers a potentially scalable solution to realize bias-field-free switching that can lead to a generation of SOT devices, combining a high storage density and endurance with a low power consumption.

  5. Tailoring coercivity of unbiased exchange-coupled ferromagnet/antiferromagnet bilayers

    NASA Astrophysics Data System (ADS)

    Sossmeier, K. D.; Schafer, D.; Bastos, A. P. O.; Schmidt, J. E.; Geshev, J.

    2012-07-01

    This paper reports experimental results obtained on unconventional exchange-coupled ferromagnet/antiferromagnet (FM/AF) system showing zero net bias. The Curie temperature of the FM (NiCu) is lower than the blocking temperature of the AF (IrMn). Samples were either annealed or irradiated with He, Ar, or Ge ions at 40 keV. Due to the exchange coupling at the FM/AF interface, the coercivity (HC) of the as-deposited FM/AF bilayer is rather higher than that of the corresponding FM single layer. We found that by choosing a proper ion fluence or annealing temperature, it is possible to controllably vary HC. Ion irradiation of the FM single layer has lead to only a decrease of HC and annealing or He ion irradiation has not caused important changes at the FM/AF interface; nevertheless, a twofold increase of HC was obtained after these treatments. Even more significant enhancement of HC was attained after Ge ion irradiation and attributed to ion-implantation-induced modification of only the FM layer; damages of the FM/AF interface, on the other hand, decrease the coercivity.

  6. Local instability driving extreme events in a pair of coupled chaotic electronic circuits.

    PubMed

    de Oliveira, Gilson F; Di Lorenzo, Orlando; de Silans, Thierry Passerat; Chevrollier, Martine; Oriá, Marcos; Cavalcante, Hugo L D de Souza

    2016-06-01

    For a long time, extreme events happening in complex systems, such as financial markets, earthquakes, and neurological networks, were thought to follow power-law size distributions. More recently, evidence suggests that in many systems the largest and rarest events differ from the other ones. They are dragon kings, outliers that make the distribution deviate from a power law in the tail. Understanding the processes of formation of extreme events and what circumstances lead to dragon kings or to a power-law distribution is an open question and it is a very important one to assess whether extreme events will occur too often in a specific system. In the particular system studied in this paper, we show that the rate of occurrence of dragon kings is controlled by the value of a parameter. The system under study here is composed of two nearly identical chaotic oscillators which fail to remain in a permanently synchronized state when coupled. We analyze the statistics of the desynchronization events in this specific example of two coupled chaotic electronic circuits and find that modifying a parameter associated to the local instability responsible for the loss of synchronization reduces the occurrence of dragon kings, while preserving the power-law distribution of small- to intermediate-size events with the same scaling exponent. Our results support the hypothesis that the dragon kings are caused by local instabilities in the phase space. PMID:27415257

  7. Local instability driving extreme events in a pair of coupled chaotic electronic circuits

    NASA Astrophysics Data System (ADS)

    de Oliveira, Gilson F.; Di Lorenzo, Orlando; de Silans, Thierry Passerat; Chevrollier, Martine; Oriá, Marcos; Cavalcante, Hugo L. D. de Souza

    2016-06-01

    For a long time, extreme events happening in complex systems, such as financial markets, earthquakes, and neurological networks, were thought to follow power-law size distributions. More recently, evidence suggests that in many systems the largest and rarest events differ from the other ones. They are dragon kings, outliers that make the distribution deviate from a power law in the tail. Understanding the processes of formation of extreme events and what circumstances lead to dragon kings or to a power-law distribution is an open question and it is a very important one to assess whether extreme events will occur too often in a specific system. In the particular system studied in this paper, we show that the rate of occurrence of dragon kings is controlled by the value of a parameter. The system under study here is composed of two nearly identical chaotic oscillators which fail to remain in a permanently synchronized state when coupled. We analyze the statistics of the desynchronization events in this specific example of two coupled chaotic electronic circuits and find that modifying a parameter associated to the local instability responsible for the loss of synchronization reduces the occurrence of dragon kings, while preserving the power-law distribution of small- to intermediate-size events with the same scaling exponent. Our results support the hypothesis that the dragon kings are caused by local instabilities in the phase space.

  8. Interlayer exchange coupling between [Pd/Co] multilayers and CoFeB/MgO layers with perpendicular magnetic anisotropy

    NASA Astrophysics Data System (ADS)

    Jung, J. H.; Lim, S. H.; Lee, S. R.

    2012-12-01

    Interlayer exchange coupling between [Pd/Co] multilayers and CoFeB/MgO layers with perpendicular magnetic anisotropy (PMA) is investigated as functions of the thicknesses of the Ru spacer and CoFeB layer. The dependence of the coupling behavior on the Ru thickness is similar to that of in-plane anisotropy systems. However, one feature is that the PMA is strengthened through interlayer exchange coupling, as indicated by the fact that PMA of the interface-based CoFeB/MgO structure forms for a thick magnetic layer (1.4 nm). Another observation is the conversion from perpendicular to in-plane anisotropy with thick Ru spacers with almost zero exchange coupling strength.

  9. Numerical calculation of the transient behaviour of two pure cross-flow heat exchangers coupled by a circulating flow stream

    NASA Astrophysics Data System (ADS)

    Na Ranong, Chakkrit; Hapke, Jobst; Roetzel, Wilfried

    2010-11-01

    The transient thermal behaviour of a heat shifting system consisting of two pure cross-flow heat exchangers coupled by a circulating flow stream is studied theoretically. A suitable mathematical description of the system is based on the energy balance equation for general flow processes yielding a system of coupled hyperbolic partial differential equations in two dimensions. System responses to perturbations of inlet temperatures and mass flow rates are numerically calculated with an explicit finite difference method. A criterion for the generation of computational grids minimising effects of numerical dispersion and dissipation is applied to the system of coupled pure cross-flow heat exchangers which has not been considered up to now. Due to its internal circulation the coupled system shows a different behaviour compared to single cross-flow heat exchangers like inverse response and oscillatory behaviour to non-oscillating input signals.

  10. Entamoeba histolytica Dmc1 Catalyzes Homologous DNA Pairing and Strand Exchange That Is Stimulated by Calcium and Hop2-Mnd1

    PubMed Central

    Kelso, Andrew A.; Say, Amanda F.; Sharma, Deepti; Ledford, LeAnna L.; Turchick, Audrey; Saski, Christopher A.; King, Ada V.; Attaway, Christopher C.; Temesvari, Lesly A.; Sehorn, Michael G.

    2015-01-01

    Meiosis depends on homologous recombination (HR) in most sexually reproducing organisms. Efficient meiotic HR requires the activity of the meiosis-specific recombinase, Dmc1. Previous work shows Dmc1 is expressed in Entamoeba histolytica, a eukaryotic parasite responsible for amoebiasis throughout the world, suggesting this organism undergoes meiosis. Here, we demonstrate Dmc1 protein is expressed in E. histolytica. We show that purified ehDmc1 forms presynaptic filaments and catalyzes ATP-dependent homologous DNA pairing and DNA strand exchange over at least several thousand base pairs. The DNA pairing and strand exchange activities are enhanced by the presence of calcium and the meiosis-specific recombination accessory factor, Hop2-Mnd1. In combination, calcium and Hop2-Mnd1 dramatically increase the rate of DNA strand exchange activity of ehDmc1. The biochemical system described herein provides a basis on which to better understand the role of ehDmc1 and other HR proteins in E. histolytica. PMID:26422142

  11. Conformational analysis of g protein-coupled receptor signaling by hydrogen/deuterium exchange mass spectrometry.

    PubMed

    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.

  12. EXCHANGE

    SciTech Connect

    Boltz, J.C.

    1992-09-01

    EXCHANGE is published monthly by the Idaho National Engineering Laboratory (INEL), a multidisciplinary facility operated for the US Department of Energy (DOE). The purpose of EXCHANGE is to inform computer users about about recent changes and innovations in both the mainframe and personal computer environments and how these changes can affect work being performed at DOE facilities.

  13. Simulation of land-atmosphere gaseous exchange using a coupled land surface-biogeochemical model

    NASA Astrophysics Data System (ADS)

    Gu, C.; Riley, W. J.; Perez, T. J.; Pan, L.

    2009-12-01

    It is important to develop and evaluate biogeochemical models that on the one hand represent vegetation and soil dynamics and on the other hand provide energy and water fluxes in a temporal resolution suitable for biogeochemical processes. In this study, we present a consistent coupling between a common land surface model (CLM3.0) and a recently developed biogeochemical model (TOUGHREACT-N). The model TOUGHREACT-N (TR-N) is one of the few process-based models that simulate green house gases fluxes by using an implicit scheme to solve the diffusion equations governing soil heat and water fluxes. By coupling with CLM3.0, we have significantly improved TR-N by including realistic representations of surface water, energy, and momentum exchanges, through the use of improved formulations for soil evaporation, plant transpiration, vegetation growth, and plant nitrogen uptake embedded in CLM3.0. The coupled CLMTR-N model is a first step for a full coupling of land surface and biogeochemical processes. The model is evaluated with measurements of soil temperature, soil water content, and N2O and N2 gaseous emission data from fallow, corn, and forest sites in Venezuela. The results demonstrate that the CLMTR-N model simulates realistic diurnal variation of soil temperature, soil water content, and N gaseous fluxes. For example, mean differences between predicted and observed midday near-surface soil water content were 8, 11, and 4 % in July, August, and September. The sensitivity of the biogeochemical processes and resulting N emissions to variation in environmental drivers is high, which indicates the need to calculate biogeochemical processes in, at least, two hourly time steps using dynamically updated (rather than daily averaged) soil environmental conditions. The development in CLMTR-N of such a complex representation of processes will allow us to characterize relevant processes and simplifications appropriate for regional to global-scale coupled biogeochemical and

  14. Nature of magnetization reversal in exchange-coupled polycrystalline NiO-Co bilayers

    NASA Astrophysics Data System (ADS)

    Chopra, Harsh Deep; Yang, David X.; Chen, P. J.; Brown, H. J.; Swartzendruber, L. J.; Egelhoff, W. F.

    2000-06-01

    The nature of magnetization reversal in exchange-coupled NiO-Co polycrystalline bilayers was investigated. As-deposited bilayers exhibit a moderate value of exchange bias HE (=-0.9 mT) and a significantly enhanced coercivity (HNiO-Coc=12.4 mT), which is roughly 5 times the coercivity of a reference Co single film (HCoc=2.7 mT). Real time investigation of magnetization reversal in exchange-coupled NiO-Co bilayers shows that reversal is highly local and nonuniform in nature. It is preceded by the formation of precursors or embryos of reversed domains as the applied field reaches a critical value ≅8.8-9.0 mT. Once this critical applied field value is reached, numerous reversed domains are formed. Growths of such reversed domains occur primarily by the abrupt nucleation and the subsequent coalescence together of reversed domains; wall motion is not the dominant growth mode. Clear evidence is presented which shows that the strength of exchange bias varies at the microscopic scale across the sample. This manifests itself as different microscopic regions switching abruptly at different fields, and a given microscopic area switching at different fields in the positive and negative field directions. When the applied field is along the unidirectional anisotropy, reversal of a given strongly coupled microscopic region is aided by exchange bias, and such a region switches first; the same region undergoes reversal last when the polarity of the applied field is changed to oppose unidirectional anisotropy. Significantly, it was found that, locally, the measured value of exchange bias may vary by a factor of 3 or more from the macroscopically measured value of HE (=-0.9 mT) obtained from the shift of the M-H loop. High-resolution transmission electron microscopy (HRTEM) shows that that the local variation in HE may be explained by considering the underlying microstructure and interfacial topography of the NiO-Co interface. HRTEM results show that the NiO surface parallel to the

  15. Modeling coupled thermal-mechanical processes of frozen soil induced by borehole heat exchanger

    NASA Astrophysics Data System (ADS)

    Shao, H.

    2015-12-01

    To utilize the shallow geothermal energy, heat pumps are often coupled with Borehole Heat Exchangers (BHE) to provide heating and cooling for buildings. In cold regions, soil freezing around the BHE is a potential problem which will dramatically influence the underground soil temperature distribution, subsequently the inlet and outlet refrigerant temperature of the BHE, and finally the efficiency of the heat pump. In this study, a numerical model has been developed to simulate the coupled temperature evolution both inside the BHE, and the propagating freezing front in the surrounding soil. The coupled model was validated against analytical solutions and experimental data. The influence of the freezing process on the overall system performance is investigated by comparing one long BHE configuration without freezing and another short one with latent heat from the frozen groundwater. It is found that when freezing happens, the coefficient of performance (COP) of the heat pump will decrease by around 0.5, leading to more electricity consumption. Furthermore, analysis of the simulation result reveals that the exploitation of latent heat through groundwater freezing is only economically attractive if electricity price is low and interest rate high, and it is not the case is most European countries.

  16. Trends in bond dissociation energies of alcohols and aldehydes computed with multireference averaged coupled-pair functional theory.

    PubMed

    Oyeyemi, Victor B; Keith, John A; Carter, Emily A

    2014-05-01

    As part of our ongoing investigation of the combustion chemistry of oxygenated molecules using multireference correlated wave function methods, we report bond dissociation energies (BDEs) in C1-C4 alcohols (from methanol to the four isomers of butanol) and C1-C4 aldehydes (from methanal to butanal). The BDEs are calculated with a multireference averaged coupled-pair functional-based scheme. We compare these multireference BDEs with those derived from experiment and single-reference methods. Trends in BDEs for the alcohols and aldehydes are rationalized by considering geometry relaxations of dissociated radical fragments, resonance stabilization, and hyperconjugation. Lastly, we discuss the conjectured association between bond strengths and rates of hydrogen abstraction by hydroxyl radicals. In general, abstraction reaction rates are higher at sites where the C-H bond energies are lower (and vice versa). However, comparison with available rate data shows this inverse relationship between bond strengths and abstraction rates does not hold at all temperatures.

  17. Distinguishing C P -odd couplings of the Higgs boson to weak boson pairs

    NASA Astrophysics Data System (ADS)

    Dwivedi, Siddharth; Ghosh, Dilip Kumar; Mukhopadhyaya, Biswarup; Shivaji, Ambresh

    2016-06-01

    We consider the observable effects of C P -violating anomalous Z Z h interaction arising from gauge-invariant dimension-six operators at the Large Hadron Collider (LHC), with the purpose of distinguishing them from not only the standard model effects but also those of C P -even anomalous interactions of a similar nature. The postulation of a gauge-invariant origin makes various couplings of this kind interrelated. The updated constraints from the LHC as well as limits from neutron and electron dipole moments are used in selecting the benchmark interaction strengths. We use some asymmetry parameters that have no contribution from standard or C P -even anomalous interactions. Parton showering and detector-level simulation are included to make our analysis as realistic as possible. On the whole, we conclude that gauge-invariant interaction of strength ≥40 /TeV2 can be successfully isolated using integrated luminosities in the 1.5 - 3.0 ab-1 range.

  18. Exchange-coupled nanoscale SmCo/NdFeB hybrid magnets

    SciTech Connect

    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.

  19. Stable microwave-assisted magnetization switching for nanoscale exchange-coupled composite grain

    PubMed Central

    2013-01-01

    Magnetization mechanisms of nanoscale magnetic grains greatly differ from well-known magnetization mechanisms of micrometer- or millimeter-sized magnetic grains or particles. Magnetization switching mechanisms of nanoscale exchange-coupled composite (ECC) grain in a microwave field was studied using micromagnetic simulation. Magnetization switching involving a strongly damped or precessional oscillation was studied using various strengths of external direct current and microwave fields. These studies imply that the switching behavior of microwave-assisted magnetization switching of the ECC grain can be divided into two groups: stable and unstable regions, similar to the case of the Stoner-Wahlfarth grain. A significant reduction in the switching field was observed in the ECC grain when the magnetization switching involved precessional oscillations similar to the case of the Stoner-Wohlfarth grain. This switching behavior is preferred for the practical applications of microwave-assisted magnetization switching. PMID:24191895

  20. Molecular (Feshbach) treatment of charge exchange Li/sup 3 +/+He collisions. I. Energies and couplings

    SciTech Connect

    Martin, F.; Riera, A.; Yanez, M.

    1986-05-15

    We point out a fundamental difference between the molecular treatment of charge exchange X/sup n/++H(1s) and X/sup n/++He(1s/sup 2/) collisions, which is that the latter process involves molecular states that are formally autoionizing. Then standard ab initio methods do not, in general, yield the relevant wave functions that are needed in the collision treatment, irrespective of whether quasimolecular autoionization be significant or not during the collision. We implement a particularly simple and useful form of the Feshbach formalism to calculate the energies of those two electron systems, and a method to evaluate the corresponding dynamical couplings is presented for the first time. Our implementation of this formalism together with the new computational techniques involved are presented in detail.

  1. Indirect exchange interaction in Rashba-spin-orbit-coupled graphene nanoflakes

    NASA Astrophysics Data System (ADS)

    Nikoofard, Hossein; Semiromi, Ebrahim Heidari

    2016-10-01

    We study the indirect exchange interaction, named Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling, between localized magnetic impurities in graphene nanoflakes with zig-zag edges in the presence of the Rashba spin-orbit interaction (RSOI). We calculate the isotropic and anisotropic RKKY amplitudes by utilizing the tight-binding (TB) model. The RSOI, as a gate tunable variable, is responsible for changes of the RKKY amplitude. We conclude that there is not any switching of the magnetic order (from ferro- to antiferro-magnetic and vice versa) in such a system through the RSOI. The dependence of the RKKY amplitude on the positions of the magnetic impurities and the size of the system is studied. The symmetry breaking, which can occur due to the Rashba interaction, leads to spatial anisotropy in the RKKY amplitude and manifests as collinear and noncollinear terms. Our results show the possibility of control and manipulation of spin correlations in carbon spin-based nanodevices.

  2. Neutral Higgs Boson Pair-Production and Trilinear Self-Couplings in the Mssm at Ilc and Clic Energies

    NASA Astrophysics Data System (ADS)

    Gutiérrez-Rodríguez, A.; Hernández-Ruíz, M. A.; Sampayo, O. A.

    We study pair-production as well as the triple self-couplings of the neutral Higgs bosons of the Minimal Supersymmetric Standard Model (MSSM) at the future International Linear e+e- Collider (ILC) and Compact Linear Collider (CLIC). The analysis is based on the reactions e+e--> b bar b hih_i, t bar t hih_i with hi = h, H, A. We evaluate the total cross-section for both bbar bhih_i, tbar thih_i and calculate the total number of events considering the complete set of Feynman diagrams at tree-level. We vary the triple couplings κλhhh, κλHhh, κλhAA, κλHAA, κλhHH and κλHHH within the range κ = -1 and +2. The numerical computation is done for the energies expected at the ILC with a center-of-mass energy 500, 1000, 1600 GeV and a luminosity 1000 fb-1. The channels e+e--> b bar b hih_i and e+e--> t bar t hih_i are also discussed to a center-of-mass energy of 3 TeV and luminosities of 1000 fb-1 and 5000 fb-1.

  3. Controlled Under Pressure: Understanding Spin Orbit Coupling and Exchange Anisotropy in Organic Magnets

    NASA Astrophysics Data System (ADS)

    Hill, Stephen

    2015-03-01

    The application of high pressure in the study of molecule-based materials has gained considerable interest, in part due to their high compressibilities, but also because the relevant electronic/magnetic degrees of freedom are often very sensitive to pressure. For example, small changes in the coordination environment around a magnetic transition metal ion can produce quite dramatic variations in both the on-site spin-orbit anisotropy as well as the exchange interactions between such ions when assembled into clusters or 3D networks. This has spurred the development of sophisticated spectroscopic tools that can be integrated with high-pressure instrumentation. The study of magnetic structure/property relations requires not only precise crystallographic data, but also detailed spectroscopic information concerning the unpaired electrons that give rise to the magnetic properties. This invited talk will begin with a brief description of the development and application of methods enabling EPR studies of oriented single-crystal samples subjected to hydrostatic pressures of up to 3.5 GPa. After an introductory example, the remainder of the talk will focus on a family of heavy atom organic radical ferromagnets (containing S and Se heteroatoms) that hold records for both the highest transition temperature and coercivity (for organic magnets). The latter is the result of an unexpectedly high magnetic anisotropy, attributable to spin-orbit-mediated exchange (hopping) processes., Ferromagnetic resonance (FMR) measurements reveal a continuous increase in the magnetic anisotropy with increasing pressure in the all Se compound, in excellent agreement with ab initio calculations based on the known pressure-dependence of its structure. The large value of anisotropic exchange terms in this heavy atom organic ferromagnet emphasizes the important role of spin-orbit coupling in a wide range of organics where this effect is usually considered to be small. This work was supported by the

  4. Ionosphere-exosphere coupling through charge exchange and momentum transfer in hydrogen-proton collisions

    NASA Technical Reports Server (NTRS)

    Hodges, R. R., Jr.; Breig, E. L.

    1991-01-01

    The implications of a traditional assumption of exospheric physics, that collisions of hydrogen atoms and protons preferentially result in charge exchange with negligible momentum transfer are examined. Initially adopted as a necessary convenience to accommodate limited computer resources in exosphere model calculations, this approximation results in a direct transformation of the proton velocity distribution into a hot component of neutral hydrogen. With expanding computational facilities, the need for the approximation has passed. As the first step toward its replacement with a realistic, quantum mechanical model of the H - H(+) collision process, differential and cumulative cross sections were calculated for quantum elastic scattering of indistinguishable nuclei for a fine grid of encounter energies and scattering angles. These data are used to study the nature of ionosphere-exosphere coupling through H - H(+) collisions, and to demonstrate that the distribution of velocities of scattered H produced in the traditional exospheric charge exchange approximation, as well as that arising from an alternative, fluid dynamic approach, leads to unacceptable abundances of coronal atoms in long-term, highly elliptic trajectories.

  5. Coupling groundwater modeling and biological indicators for identifying river/aquifer exchanges.

    PubMed

    Graillot, Didier; Paran, Frédéric; Bornette, Gudrun; Marmonier, Pierre; Piscart, Christophe; Cadilhac, Laurent

    2014-01-01

    Future climate changes and the resulting modifications in anthropogenic activities will alter the interactions between rivers and groundwater. The quantification of these hydraulic interactions is absolutely necessary for achieving sustainable water use and requires accurate analytical methodologies. This report proposes an interdisciplinary approach to the quantitative and qualitative characterization of hydraulic interactions between rivers and shallow aquifers, wherein it outlines the advantages of coupling groundwater modeling with biological markers. As a first step, we built independent diagnostic maps of hydrological exchanges at the sector scale on the basis of hydrogeological modeling and biological indicators. In a second step, these maps were compared to provide a quantitative and qualitative understanding of exchanges between groundwater and surface water. This comparison significantly improved the calibration of groundwater models through a better assessment of boundary zones. Our approach enabled us to identify the conditions under which it could be possible to use biological indicators instead of a large set of piezometric measures. The integration of such combined tools in a future decision support system will assist governmental authorities in proposing appropriate long-term water policies for the preservation of groundwater resources, such as for supplying potable water and/or mitigating pollution risks.

  6. Fast computation of close-coupling exchange integrals using polynomials in a tree representation

    NASA Astrophysics Data System (ADS)

    Wallerberger, Markus; Igenbergs, Katharina; Schweinzer, Josef; Aumayr, Friedrich

    2011-03-01

    The semi-classical atomic-orbital close-coupling method is a well-known approach for the calculation of cross sections in ion-atom collisions. It strongly relies on the fast and stable computation of exchange integrals. We present an upgrade to earlier implementations of the Fourier-transform method. For this purpose, we implement an extensive library for symbolic storage of polynomials, relying on sophisticated tree structures to allow fast manipulation and numerically stable evaluation. Using this library, we considerably speed up creation and computation of exchange integrals. This enables us to compute cross sections for more complex collision systems. Program summaryProgram title: TXINT Catalogue identifier: AEHS_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 12 332 No. of bytes in distributed program, including test data, etc.: 157 086 Distribution format: tar.gz Programming language: Fortran 95 Computer: All with a Fortran 95 compiler Operating system: All with a Fortran 95 compiler RAM: Depends heavily on input, usually less than 100 MiB Classification: 16.10 Nature of problem: Analytical calculation of one- and two-center exchange matrix elements for the close-coupling method in the impact parameter model. Solution method: Similar to the code of Hansen and Dubois [1], we use the Fourier-transform method suggested by Shakeshaft [2] to compute the integrals. However, we heavily speed up the calculation using a library for symbolic manipulation of polynomials. Restrictions: We restrict ourselves to a defined collision system in the impact parameter model. Unusual features: A library for symbolic manipulation of polynomials, where polynomials are stored in a space-saving left-child right

  7. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.

    PubMed

    Liakos, Dimitrios G; Neese, Frank

    2015-09-01

    The recently developed domain-based local pair natural orbital coupled cluster theory with single, double, and perturbative triple excitations (DLPNO-CCSD(T)) delivers results that are closely approaching those of the parent canonical coupled cluster method at a small fraction of the computational cost. A recent extended benchmark study established that, depending on the three main truncation thresholds, it is possible to approach the canonical CCSD(T) results within 1 kJ (default setting, TightPNO), 1 kcal/mol (default setting, NormalPNO), and 2-3 kcal (default setting, LoosePNO). Although thresholds for calculations with TightPNO are 2-4 times slower than those based on NormalPNO thresholds, they are still many orders of magnitude faster than canonical CCSD(T) calculations, even for small and medium sized molecules where there is little locality. The computational effort for the coupled cluster step scales nearly linearly with system size. Since, in many instances, the coupled cluster step in DLPNO-CCSD(T) is cheaper or at least not much more expensive than the preceding Hartree-Fock calculation, it is useful to compare the method against modern density functional theory (DFT), which requires an effort comparable to that of Hartree-Fock theory (at least if Hartree-Fock exchange is part of the functional definition). Double hybrid density functionals (DHDF's) even require a MP2-like step. The purpose of this article is to evaluate the cost vs accuracy ratio of DLPNO-CCSD(T) against modern DFT (including the PBE, B3LYP, M06-2X, B2PLYP, and B2GP-PLYP functionals and, where applicable, their van der Waals corrected counterparts). To eliminate any possible bias in favor of DLPNO-CCSD(T), we have chosen established benchmark sets that were specifically proposed for evaluating DFT functionals. It is demonstrated that DLPNO-CCSD(T) with any of the three default thresholds is more accurate than any of the DFT functionals. Furthermore, using the aug-cc-pVTZ basis set and

  8. Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

    SciTech Connect

    Cho, Daeheum; Ko, Kyoung Chul; Lee, Jin Yong; Ikabata, Yasuhiro; Wakayama, Kazufumi; Yoshikawa, Takeshi; Nakai, Hiromi

    2015-01-14

    The intramolecular magnetic coupling constant (J) of diradical systems linked with five- or six-membered aromatic rings was calculated to obtain the scaling factor (experimental J/calculated J ratio) for various density functional theory (DFT) functionals. Scaling factors of group A (PBE, TPSSh, B3LYP, B97-1, X3LYP, PBE0, and BH and HLYP) and B (M06-L, M06, M06-2X, and M06-HF) were shown to decrease as the amount of Hartree-Fock exact exchange (HFx) increases, in other words, overestimation of calculated J becomes more severe as the HFx increases. We further investigated the effect of HFx fraction of DFT functional on J value, spin contamination, and spin density distributions by comparing the B3LYP analogues containing different amount of HFx. It was revealed that spin contamination and spin densities at each atom increases as the HFx increases. Above all, newly developed BLYP-5 functional, which has 5% of HFx, was found to have the scaling factor of 1.029, indicating that calculated J values are very close to that of experimental values without scaling. BLYP-5 has potential to be utilized for accurate evaluation of intramolecular magnetic coupling constant (J) of diradicals linked by five- or six-membered aromatic ring couplers.

  9. Strong Exchange Coupling in a Trimetallic Radical‐Bridged Cobalt(II)‐Hexaazatrinaphthylene Complex

    PubMed Central

    Moilanen, Jani O.; Chilton, Nicholas F.; Day, Benjamin M.; Pugh, Thomas

    2016-01-01

    Abstract Reducing hexaazatrinaphthylene (HAN) with potassium in the presence of 18‐c‐6 produces [{K(18‐c‐6)}HAN], which contains the S=1/2 radical [HAN].−. The [HAN].− radical can be transferred to the cobalt(II) amide [Co{N(SiMe3)2}2], forming [K(18‐c‐6)][(HAN){Co(N′′)2}3]; magnetic measurements on this compound reveal an S=4 spin system with strong cobalt–ligand antiferromagnetic exchange and J≈−290 cm−1 (−2 J formalism). In contrast, the CoII centres in the unreduced analogue [(HAN){Co(N′′)2}3] are weakly coupled (J≈−4.4 cm−1). The finding that [HAN].− can be synthesized as a stable salt and transferred to cobalt introduces potential new routes to magnetic materials based on strongly coupled, triangular HAN building blocks. PMID:26997130

  10. Effect of hydrogen on the interlayer exchange coupling in Fe/V superlattices

    SciTech Connect

    Ostanin, S.; Uzdin, V. M.; Demangeat, C.; Wills, J. M.; Alouani, M.; Dreysse, H.

    2000-02-15

    Electronic and magnetic structures of Fe/V superlattices with and without hydrogen in the vanadium spacer are investigated using a relativistic full-potential linear muffin-tin orbital method. We obtained short-range induced spin polarization in V as well as reduced Fe polarization at the Fe/V interface. The value of the magnetic moment induced on the vanadium atoms depends strongly on the distortion caused by the lattice mismatch and hydrogen loading whereas the total moment of the Fe and V interface layers remains almost unchanged. Hydrogenation of the V spacer leads to the decrease of the interface magnetic moment on the V atoms and to a reduction of the density of states (DOS) at the Fermi level. A low DOS could be one of the reasons for the experimental increase of the resistivity of the samples under hydrogen loading and leads to the disappearance of the antiferromagnetic exchange coupling in the Fe/(VH) superlattices for large hydrogen concentration. Doping the V film by a gold monolayer increases the DOS at the Fermi level and could recover the antiferromagnetic coupling. (c) 2000 The American Physical Society.

  11. Role of spin-orbit coupling in the kinetics of geminal recombination of triplet radical pairs in micelles. Effect of an internal heavy atom

    SciTech Connect

    Levin, P.P.; Kuz'min, V.A.

    1987-07-01

    The authors use radicals from the laser photolysis of benzophenone, bromobenzophenone, 4-phenylphenol, and 4-phenylaniline to study the effect of a heavy atom introduced as a substituent on the recombination kinetics of triplet radical pairs in micelles as a function of the external magnetic field strength. They found that intercombination conversion, which takes place due to the spin-orbit coupling between radicals, makes a significant contribution to the process of singlet-triplet transitions in radical pairs together with the hyperfine interaction. The role of spin-orbit coupling increases significantly when heavy atoms are present in the radicals.

  12. Spin polarization transfer by the radical pair mechanism

    SciTech Connect

    Zarea, Mehdi Ratner, Mark A.; Wasielewski, Michael R.

    2015-08-07

    In a three-site representation, we study a spin polarization transfer from radical pair spins to a nearby electron or nuclear spin. The quantum dynamics of the radical pair spins is governed by a constant exchange interaction between the radical pair spins which have different Zeeman frequencies. Radical pair spins can recombine to the singlet ground state or to lower energy triplet states. It is then shown that the coherent dynamics of the radical pair induces spin polarization on the nearby third spin in the presence of a magnetic field. The spin polarization transfer depends on the difference between Zeeman frequencies, the singlet and triplet recombination rates, and on the exchange and dipole-dipole interactions between the different spins. In particular, the sign of the polarization depends on the exchange coupling between radical pair spins and also on the difference between singlet and triplet recombination rate constants.

  13. Pulsed electron spin nutation spectroscopy for weakly exchange-coupled multi-spin molecular systems with nuclear hyperfine couplings: a general approach to bi- and triradicals and determination of their spin dipolar and exchange interactions

    NASA Astrophysics Data System (ADS)

    Ayabe, Kazuki; Sato, Kazunobu; Nakazawa, Shigeaki; Nishida, Shinsuke; Sugisaki, Kenji; Ise, Tomoaki; Morita, Yasushi; Toyota, Kazuo; Shiomi, Daisuke; Kitagawa, Masahiro; Suzuki, Shuichi; Okada, Keiji; Takui, Takeji

    2013-10-01

    Weakly exchange-coupled biradicals have attracted much attention in terms of their dynamic nuclear polarisation application in NMR spectroscopy for biological systems or the use of synthetic electron-spin qubits in quantum information processing/quantum-computing technology. Analogues multi-partite molecular systems are important in entering a new phase of the relevant fields. Many stable organic biradicals known so far have nitrogen nuclei at their electron spin sites, where singly occupied molecular orbitals are dominating and large hyperfine couplings occur. A salient feature of such weakly exchange-coupled molecular systems in terms of electronic spin structures is underlain by small zero-field splitting (ZFS) parameters comparable with nuclear hyperfine and/or exchange interactions. Pulse-based electron spin nutation (ESN) spectroscopy of weakly exchange-coupled biradicals, applicable to oriented or non-oriented media, has proven to be a useful and facile approach to the determination of ZFS parameters, which reflect relatively short distances between unpaired electron spins. In the present study, we first treat two-dimensional single-crystal ESN spectroscopy (Q-band) of a 15N-labelled weakly exchange-coupled biradical, showing the nuclear hyperfine effects on the ESN phenomena from both the experimental and theoretical side. ESN spectroscopy is transition moment spectroscopy, in which the nutation frequency as a function of the microwave irradiation strength ω1 (angular frequency) for any cases of weakly exchange-coupled systems can be treated. The results provide a testing ground for the simplified but general approach to the ESN analysis. In this study, we have invoked single-crystal electron-electron double resonance measurements on a typical biradical well incorporated in a diamagnetic host lattice and checked the accuracy of our ESN analysis for the spin dipolar tensor and exchange interaction. Next, we extend the general approach to analogues multi

  14. Hydrogen/Deuterium Exchange and Molecular Dynamics Analysis of Amyloid Fibrils Formed by a D69K Charge-Pair Mutant of Human Apolipoprotein C-II.

    PubMed

    Mao, Yu; Zlatic, Courtney O; Griffin, Michael D W; Howlett, Geoffrey J; Todorova, Nevena; Yarovsky, Irene; Gooley, Paul R

    2015-08-11

    Plasma apolipoproteins form amphipathic α helices in lipid environments but in the lipid-free state show a high propensity to form β structure and self-associate into amyloid fibrils. The widespread occurrence of apolipoproteins in amyloid plaques suggests disease-related roles, specifically in atherosclerosis. To reconcile the dual abilities of apolipoproteins to form either α helices or cross-β sheet structures, we examined fibrils formed by human apolipoprotein C-II (apoC-II). A structural model for apoC-II fibrils shows a cross-β core with parallel β strands, including a buried K30-D69 charge pair. We investigated the effect of abolishing this charge pair in mutant D69K apoC-II. Fluorescence studies indicated more rapid fibril formation and less solvent accessibility of tryptophan (W26) in D69K apoC-II fibrils than in wild-type (WT) fibrils. X-ray diffraction data of aligned D69K apoC-II fibrils yielded a typical cross-β structure with increased β sheet spacing compared to that of WT fibrils. Hydrogen/deuterium (H/D) exchange patterns were similar for D69K apoC-II fibrils compared to WT fibrils, albeit with an overall reduction in the level of slow H/D exchange, particularly around residues 29-32. Molecular dynamics simulations indicated reduced β strand content for a model D69K apoC-II tetramer compared to the WT tetramer and confirmed an expansion of the cross-β spacing that contributed to the formation of a stable charge pair between K69 and E27. The results highlight the importance of charge-pair interactions within the apoC-II fibril core, which together with numerous salt bridges in the flexible connecting loop play a major role in the ability of lipid-free apoC-II to form stable cross-β fibrils.

  15. The Incorporation of an Advanced Donation Program Into Kidney Paired Exchange: Initial Experience of the National Kidney Registry.

    PubMed

    Flechner, S M; Leeser, D; Pelletier, R; Morgievich, M; Miller, K; Thompson, L; McGuire, S; Sinacore, J; Hil, G

    2015-10-01

    The continued growth of kidney paired donation (KPD) to facilitate transplantation for otherwise incompatible or suboptimal living kidney donors and recipients has depended on a balance between the logistics required for patients and the collaborating transplant centers. The formation of chains for KPD and the shipping of kidneys have permitted networks such as the National Kidney Registry (NKR) to offer KPD to patients over a transcontinental area. However, over the last 3 years, we have encountered patient requests for a more flexible experience in KPD to meet their individual needs often due to rigid time constraints. To accommodate these requests, we have developed an Advanced Donation Program (ADP) in which the donor desires to donate by a specific date, but their paired recipient has not yet been matched to a specific donor or scheduled for surgery. After obtaining careful informed consent from both the donor and paired recipient, 10 KPD chains were constructed using an ADP donor. These 10 ADP donors have facilitated 47 transplants, and thus far eight of their paired recipients have received a kidney within a mean of 178 (range 10-562) days. The ADP is a viable method to support time limited donors in a KPD network.

  16. Efficient Implementation of the Pair Atomic Resolution of the Identity Approximation for Exact Exchange for Hybrid and Range-Separated Density Functionals

    PubMed Central

    2015-01-01

    An efficient new molecular orbital (MO) basis algorithm is reported implementing the pair atomic resolution of the identity approximation (PARI) to evaluate the exact exchange contribution (K) to self-consistent field methods, such as hybrid and range-separated hybrid density functionals. The PARI approximation, in which atomic orbital (AO) basis function pairs are expanded using auxiliary basis functions centered only on their two respective atoms, was recently investigated by Merlot et al. [J. Comput. Chem.2013, 34, 1486]. Our algorithm is significantly faster than quartic scaling RI-K, with an asymptotic exchange speedup for hybrid functionals of (1 + X/N), where N and X are the AO and auxiliary basis dimensions. The asymptotic speedup is 2 + 2X/N for range separated hybrids such as CAM-B3LYP, ωB97X-D, and ωB97X-V which include short- and long-range exact exchange. The observed speedup for exchange in ωB97X-V for a C68 graphene fragment in the cc-pVTZ basis is 3.4 relative to RI-K. Like conventional RI-K, our method greatly outperforms conventional integral evaluation in large basis sets; a speedup of 19 is obtained in the cc-pVQZ basis on a C54 graphene fragment. Negligible loss of accuracy relative to exact integral evaluation is demonstrated on databases of bonded and nonbonded interactions. We also demonstrate both analytically and numerically that the PARI-K approximation is variationally stable. PMID:25691831

  17. Evaluation of a regional air-quality model with bidirectional NH3 exchange coupled to an agroecosystem model

    NASA Astrophysics Data System (ADS)

    Bash, J. O.; Cooter, E. J.; Dennis, R. L.; Walker, J. T.; Pleim, J. E.

    2013-03-01

    Atmospheric ammonia (NH3) is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH3 contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurements indicate that the air-surface exchange of NH3 is bidirectional. However, the effects of bidirectional exchange, soil biogeochemistry and human activity are not parameterized in air quality models. The US Environmental Protection Agency's (EPA) Community Multiscale Air-Quality (CMAQ) model with bidirectional NH3 exchange has been coupled with the United States Department of Agriculture's (USDA) Environmental Policy Integrated Climate (EPIC) agroecosystem model. The coupled CMAQ-EPIC model relies on EPIC fertilization timing, rate and composition while CMAQ models the soil ammonium (NH4+) pool by conserving the ammonium mass due to fertilization, evasion, deposition, and nitrification processes. This mechanistically coupled modeling system reduced the biases and error in NHx (NH3 + NH4+) wet deposition and in ambient aerosol concentrations in an annual 2002 Continental US (CONUS) domain simulation when compared to a 2002 annual simulation of CMAQ without bidirectional exchange. Fertilizer emissions estimated in CMAQ 5.0 with bidirectional exchange exhibits markedly different seasonal dynamics than the US EPA's National Emissions Inventory (NEI), with lower emissions in the spring and fall and higher emissions in July.

  18. Ion-pair chromatography coupled to inductively coupled plasma-mass spectrometry (IPC-ICP-MS) as a method for thiomolybdate speciation in natural waters.

    PubMed

    Lohmayer, Regina; Reithmaier, Gloria Maria Susanne; Bura-Nakić, Elvira; Planer-Friedrich, Britta

    2015-03-17

    Molybdenum precipitates preferentially under reducing conditions; therefore, its occurrence in sediment records is used as an indicator of paleoredox conditions. Although thiomolybdates (MoO4-xSx(2-) with x = 1-4) supposedly are necessary intermediates in the process of molybdenum precipitation under anoxic conditions, there is no information about their abundance in natural environments, because of a lack of element-specific methods with sufficiently low detection limits. Here, we optimized ion-pair chromatographic separation for coupling to an inductively coupled plasma-mass spectrometry detector (IPC-ICP-MS). 2-Propanol (10%-25% gradient) replaced the previously used acetonitrile (25%-75%) as the solvent, to reduce the carbon load into the plasma. In synthetic solutions, formation of thiomolybdates was found to occur spontaneously in the presence of excess sulfide and the degree of thiolation was highest at pH 7. Excess hydroxyl led to a transformation of thiomolybdates to molybdate. Under acidic to neutral conditions, precipitation of molybdenum and hydrolysis of tetrathiomolybdate were observed. Flash-freezing was found to be suitable to stabilize tetrathiomolybdate, with <4% transformation over more than two months. High ionic strengths matrices (>2 mM) negatively affected the detection of molybdate, which eluted mainly in the dead volume, but had no negative effect on higher thiolated molybdates. Detection limits were ∼10 nM. With the newly developed IPC-ICP-MS method, thiomolybdates were found to form spontaneously in euxinic marine waters after adding a molybdate spike and occur naturally in sulfidic geothermal waters.

  19. Towards quantifying the role of exact exchange in the prediction hydrogen bond spin-spin coupling constants involving fluorine.

    PubMed

    San Fabián, J; Omar, S; García de la Vega, J M

    2016-08-28

    The effect of a fraction of Hartree-Fock exchange on the calculated spin-spin coupling constants involving fluorine through a hydrogen bond is analyzed in detail. Coupling constants calculated using wavefunction methods are revisited in order to get high-level calculations using the same basis set. Accurate MCSCF results are obtained using an additive approach. These constants and their contributions are used as a reference for density functional calculations. Within the density functional theory, the Hartree-Fock exchange functional is split in short- and long-range using a modified version of the Coulomb-attenuating method with the SLYP functional as well as with the original B3LYP. Results support the difficulties for calculating hydrogen bond coupling constants using density functional methods when fluorine nuclei are involved. Coupling constants are very sensitive to the Hartree-Fock exchange and it seems that, contrary to other properties, it is important to include this exchange for short-range interactions. Best functionals are tested in two different groups of complexes: those related with anionic clusters of type [F(HF)n](-) and those formed by difluoroacetylene and either one or two hydrogen fluoride molecules. PMID:27586916

  20. Ex situ synthesis of magnetically exchange coupled SrFe12O19/Fe-Co composites

    NASA Astrophysics Data System (ADS)

    Xu, Xia; Hong, Yang-Ki; Park, Jihoon; Lee, Woncheol; Lane, Alan M.

    2016-05-01

    Magnetically exchange coupled SrFe12O19/Fe-Co composites with different mass percentage of Fe-Co were synthesized through an ex situ process. The morphology, magnetic properties, and crystallization of SrFe12O19/Fe-Co composites were investigated. Lower mass percentage of Fe-Co presented an even distribution of Fe-Co nanoparticles on the surface of SrFe12O19, and effective magnetic exchange coupling between Fe-Co and SrFe12O19. Higher mass percentage of Fe-Co leads to an agglomeration of Fe-Co nanoparticles on SrFe12O19 surface, and a weak magnetic exchange coupling between Fe-Co and SrFe12O19. This ex situ process proposed a new method to synthesize magnetically exchange coupled SrFe12O19/Fe-Co core/shell composites with precise control of the magnetic properties. This method can also be potentially used for other hard/soft magnetic composite synthesis.

  1. Effect of lattice deformation on exchange coupling constants in Cr{sub 2}O{sub 3}

    SciTech Connect

    Kota, Yohei; Imamura, Hiroshi; Sasaki, Munetaka

    2014-05-07

    We studied lattice deformation effect on exchange interaction in the corundum-type Cr{sub 2}O{sub 3} theoretically. First-principles electronic structure calculations were performed to evaluate the total energy and exchange coupling constants of Cr{sub 2}O{sub 3} under lattice deformation. We found that a few percent elastic deformation is expected via misfit strain and that the first- and second-nearest neighbor exchange coupling constants of Cr{sub 2}O{sub 3} strongly depend on the lattice deformation. These results imply a possibility for improving the thermal stability of Cr{sub 2}O{sub 3} based magnetoelectric devices by lattice deformation.

  2. Scrutinizing the double superconducting gaps and strong coupling pairing in (Li1−xFex)OHFeSe

    PubMed Central

    Du, Zengyi; Yang, Xiong; Lin, Hai; Fang, Delong; Du, Guan; Xing, Jie; Yang, Huan; Zhu, Xiyu; Wen, Hai-Hu

    2016-01-01

    In the field of iron-based superconductors, one of the frontier studies is about the pairing mechanism. The recently discovered (Li1−xFex)OHFeSe superconductor with the transition temperature of about 40 K provides a good platform to check the origin of double superconducting gaps and high transition temperature in the monolayer FeSe thin film. Here we report a scanning tunnelling spectroscopy study on the (Li1−xFex)OHFeSe single crystals. The tunnelling spectrum mimics that of the monolayer FeSe thin film and shows double gaps at about 14.3 and 8.6 meV. Further analysis based on the quasiparticle interference allows us to rule out the d-wave gap, and for the first time assign the larger (smaller) gap to the outer (inner) Fermi pockets (after folding) associating with the dxy (dxz/dyz) orbitals, respectively. The gap ratio amounts to 8.7, which demonstrates the strong coupling mechanism in the present superconducting system. PMID:26822281

  3. Kinetic Monte Carlo simulations of thermally activated magnetization reversal in dual-layer Exchange Coupled Composite recording media

    NASA Astrophysics Data System (ADS)

    Plumer, M. L.; Almudallal, A. M.; Mercer, J. I.; Whitehead, J. P.; Fal, T. J.

    The kinetic Monte Carlo (KMC) method developed for thermally activated magnetic reversal processes in single-layer recording media has been extended to study dual-layer Exchange Coupled Composition (ECC) media used in current and next generations of disc drives. The attempt frequency is derived from the Langer formalism with the saddle point determined using a variant of Bellman Ford algorithm. Complication (such as stagnation) arising from coupled grains having metastable states are addressed. MH-hysteresis loops are calculated over a wide range of anisotropy ratios, sweep rates and inter-layer coupling parameter. Results are compared with standard micromagnetics at fast sweep rates and experimental results at slow sweep rates.

  4. Cyclic exchanges and level of coupling between environmental media: intermedia feedback in multimedia fate models.

    PubMed

    Margni, M; Pennington, D W; Bennett, D H; Jolliet, O

    2004-10-15

    The importance of cyclic transport of chemicals between media in the environment can be expressed in terms of the Feedback correction factor--a multiplier that accounts for the fraction of an emission that returns to the medium of release after transfer to other media. This factor is calculated analytically by explicitly solving the appropriate system of mass balance equations or using matrix techniques. It generalizes the concept of stickiness, the ratio between the net and the overall deposition rate constants, to multipathway feedback, while providing a clearer view of the level of coupling between media and analyzing the importance of coupling. This paper first shows the usefulness of the total removal rate coefficient in each media (sum of degradation rate and all intermedia transfer rates) as a baseline to determine the chemical mass in different media, the characteristic travel distance and to understand the cyclic behavior, rather than starting from the degradation lifetimes or the overall persistence in the environment. Starting from this baseline, the importance of feedback is limited for most organic chemicals. The predicted media concentrations are influenced by less than 10% due to the cyclic nature of the intermedia transport for more than 90% of the 317 tested chemicals in a 4-compartment, steady-state, closed-system multimedia model. The Feedback correction factor is always less than a factor of 5 with the greatest values when transfer fractions are important in both directions for adjacent media. This corresponds to a restricted range in the K(AW) and K(OA) space with long chemical lifetimes in both adjacent media. This analysis of the importance of the Feedback correction factor, in conjunction with resultant criteria for when cyclic exchanges between media are likely to be significant, facilitates a more transparent understanding of how substance masses are distributed in the modeled system. It is one of the important criteria to determine to

  5. High magnetic exchange coupling constants: a density functional theory based study of substituted Schlenk diradicals.

    PubMed

    Latif, Iqbal A; Hansda, Shekhar; Datta, Sambhu N

    2012-08-23

    The Schlenk diradical has been known since 1915. After a detailed experimental work by Rajca, its magnetic nature has remained more or less unexplored. We have investigated by quantum chemical calculations the nature of magnetic coupling in 11 substituted Schlenk diradicals. Substitution has been considered at the fifth carbon atom of the meta-phenylene moiety. The UB3LYP method has been used to study 12 diradicals including the original one. The 6-311G(d,p) basis set has been employed for optimization of molecular geometry in both singlet and triplet states for each species. The singlet optimization has led to the optimization of the broken-symmetry structure for 10 species including the unsubstituted one. This development makes it possible to carry out further broken symmetry calculations in two ways. The triplet calculation has been done using 6-311++G(d,p) basis set and the optimized triplet geometry in both procedures. The broken symmetry calculations have used the optimized geometries of either the triplet states or the broken symmetry solutions. The first method leads to the prediction of electron paramagnetic resonance (EPR) compatible magnetic exchange coupling constant (J) in the range 517-617 cm(-1). A direct optimization of the broken symmetry geometry gives rise to a lower estimate of J, in the range of 411-525 cm(-1) and compatible with macroscopic Curie studies. The calculated J for the unsubstituted Schlenk diradical is 512 cm(-1) that can be compared with 455 cm(-1) estimated by Rajca. In both cases, introduction of groups with +M and +I effects (Ingold's notation) decreases the J value from that for the unsubstituted Schlenk diradical while -I and -M groups at the same position increases J. These trends have been explained in terms of Hammett constants, atomic spin densities, and dihedral angles.

  6. Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(II) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.

    PubMed

    Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming

    2014-12-14

    Two second-order nonlinear optically (NLO)-active dinuclear and square Cu(II) enantiomeric pairs were obtained via the self-assemblies of enantiopure linear bis-bidentate ligands with different copper(II) salts under the identical reaction conditions. Their magnetic properties are switched from antiferromagnetic to ferromagnetic coupling.

  7. Recovery and nonrecovery of the untrained state in an exchange-coupled system

    NASA Astrophysics Data System (ADS)

    Jutimoosik, Jaru; Yimnirun, Rattikorn; Setzer, Annette; Esquinazi, Pablo; Stahn, Jochen; Paul, Amitesh

    2015-06-01

    We report depth sensitive investigations of the magnetic interaction between exchange-coupled stacked CoO and ferromagnetic Co bilayers (separated by thick Au layers) as we explore the degree of recovery of the untrained state after the first two field cycles. Such a recovery is expected by field cycling a reorientation field (HRE) along a direction (ΩRE) away from the initial field cooling direction. Measurements as a function of ΩRE and the strength of HRE (along each direction) map the influence of ΩRE on the reversal mechanism in the layers and thereby the degree of recovery. Our results are consistent with the earlier observations in similar systems that was realized with ΩRE=90∘ . We ascribe these partial and/or significant recoveries to the unchanged sense of rotation after initial field cooling of the ferromagnetic magnetization upon each field cycling. Furthermore, in our system, we find that this recovery can be regulated by choosing various other HRE and ΩRE values without changing the rotational sense. The best recipe for recovery is identified for ΩRE=45∘ , that can be achieved partially with HRE=3.0 kOe and remain significant even with HRE=10.0 kOe. In this study we not only understand the fundamental mechanism in the recovery of training, but also instigate its technological prospects by lifting the directional restrictions of the reorientation field.

  8. Characterisation of brewpub beer carbohydrates using high performance anion exchange chromatography coupled with pulsed amperometric detection.

    PubMed

    Arfelli, Giuseppe; Sartini, Elisa

    2014-01-01

    High performance anion exchange chromatography (HPAEC) coupled with pulsed amperometric detection (PAD) was optimised in order to quantify mannose, maltose, maltotriose, maltotetraose, maltopentaose, maltohexaose and maltoheptaose content of beer. The method allows the determination of above mentioned oligosaccharides, in a single chromatographic run, without any pre-treatment. Limit of detection and limit of quantification were suitable for beer. Accuracy and repeatability were good for the entire amount considered. Once optimised HPAEC PAD for the specific matrix, the second goal of this research was to verify the possibility to discriminate beers, depending on their style. The carbohydrates content of brewpub commercial beers was very variable, ranging from 19.3 to 1469mg/L (mannose), 34.5 to 2882mg/L (maltose), 141.9 to 20731mg/L (maltotriose), 168.5 to 7650mg/L (maltotetraose), 20.1 to 2537mg/L (maltopentaose), 22.9 to 3295mg/L (maltohexaose), 8.5 to 2492mg/L (maltoeptaose), even in the same style of beer. However, the carbohydrates content was useful, jointed with other compounds amount, to discriminate different styles of beer. As a matter of fact, principal component analysis put in evidence beer differences considering some fermentation conditions and colour.

  9. Imaging spin structures of exchange-coupled materials with neutron reflectometry

    NASA Astrophysics Data System (ADS)

    O'Donovan, K. V.; Borchers, J. A.; Majkrzak, C. F.; Fullerton, E. E.; Hellwig, O.

    2001-03-01

    We used polarized neutron reflectometry to examine the spin structure of an Fe_55Pt_45(200 ÅNi_80Fe_20(500 Åexchange-coupled magnetic film in fields up to 630 mT (near saturation) at room temperature. By measuring both the two spin-flip and the two non-spin-flip cross-sections, we can determine the spin structure as a function of depth throughout the entire sample. Magnetometry of the film indicates spring-magnet behavior.(Physical Review B 62), 11 694 (2000) Our measurements in a field of 16 mT (which ostensibly is in the reversible regime) indicate a twist, which begins in the magnetically soft permalloy, extends throughout a significant fraction of the magnetically hard FePt, contrary to theoretical expectations. At larger fields the permalloy is aligned with the external field and the Bloch wall is localized within the FePt. In remanence we see no twist. Instead, the spins are aligned in one direction, canted with respect to the saturation magnetization, but with disorder at the interface. We will discuss fine details of the spin structure near 16 mT and the evolution of the spin structure from 5 mT through 630 mT and in remanence.

  10. Shaping nanoscale magnetic domain memory in exchange-coupled ferromagnets by field cooling

    PubMed Central

    Chesnel, Karine; Safsten, Alex; Rytting, Matthew; Fullerton, Eric E.

    2016-01-01

    The advance of magnetic nanotechnologies relies on detailed understanding of nanoscale magnetic mechanisms in materials. Magnetic domain memory (MDM), that is, the tendency for magnetic domains to repeat the same pattern during field cycling, is important for magnetic recording technologies. Here we demonstrate MDM in [Co/Pd]/IrMn films, using coherent X-ray scattering. Under illumination, the magnetic domains in [Co/Pd] produce a speckle pattern, a unique fingerprint of their nanoscale configuration. We measure MDM by cross-correlating speckle patterns throughout magnetization processes. When cooled below its blocking temperature, the film exhibits up to 100% MDM, induced by exchange-coupling with the underlying IrMn layer. The degree of MDM drastically depends on cooling conditions. If the film is cooled under moderate fields, MDM is high throughout the entire magnetization loop. If the film is cooled under nearly saturating field, MDM vanishes, except at nucleation and saturation. Our findings show how to fully control the occurrence of MDM by field cooling. PMID:27248368

  11. Exchange coupling and remanence enhancement in nanocomposite Nd Fe B/FeCo multilayer films

    NASA Astrophysics Data System (ADS)

    Ao, Qi; Zhang, Wali; Wu, Jiansheng

    2006-04-01

    Nd-Fe-B-type hard phase single layer films and nanocomposite Nd 28Fe 66B 6/Fe 50Co 50 multilayer films with Mo underlayers and overlayers have been fabricated on Si substrates by rf sputtering. The hysteresis loops of all films indicated simple single loops for fixed Nd-Fe-B layer thickness (10 nm) and different FeCo layer thickness ( dFeCo=1-50 nm). The remanence of these films is found to increase with increasing dFeCo and the coercivity decrease with increasing dFeCo. It is shown that high remanence is achieved in the nanocomposite multilayer films consisting of the hard magnetic Nd-Fe-B-type phase and soft magnetic phase FeCo with 20 nm⩾ dFeCo⩾3 nm. The sample of maximum energy product is 27 MG Oe for dFeCo=5 nm at room temperature. The enhancement of the remanence and energy products in nanocomposite multilayer films is attributed to the exchange coupling between the magnetically soft and hard phases.

  12. Shaping nanoscale magnetic domain memory in exchange-coupled ferromagnets by field cooling

    DOE PAGESBeta

    Chesnel, Karine; Safsten, Alex; Rytting, Matthew; Fullerton, Eric E.

    2016-06-01

    The advance of magnetic nanotechnologies relies on detailed understanding of nanoscale magnetic mechanisms in materials. Magnetic domain memory (MDM), that is, the tendency for magnetic domains to repeat the same pattern during field cycling, is important for magnetic recording technologies. Here we demonstrate MDM in [Co/Pd]/IrMn films, using coherent X-ray scattering. Under illumination, the magnetic domains in [Co/Pd] produce a speckle pattern, a unique fingerprint of their nanoscale configuration. We measure MDM by cross-correlating speckle patterns throughout magnetization processes. When cooled below its blocking temperature, the film exhibits up to 100% MDM, induced by exchange-coupling with the underlying IrMn layer.more » The degree of MDM drastically depends on cooling conditions. If the film is cooled under moderate fields, MDM is high throughout the entire magnetization loop. Lastly, if the film is cooled under nearly saturating field, MDM vanishes, except at nucleation and saturation. Our findings show how to fully control the occurrence of MDM by field cooling.« less

  13. Correlation of microstructure, intrinsic magnetization switching properties, and recording performance in exchange-coupled composite media

    NASA Astrophysics Data System (ADS)

    Srinivasan, Kumar; Roddick, Eric; Mardinly, John; Acharya, B. Ramamurthy

    2011-04-01

    The analytical model for the intrinsic coercive squareness parameter, Sint* was applied to hard-soft stacked exchange-coupled composite media, and correlations with the microstructure and switching were studied. Thickening the hard magnetic layer in the composite stack led to a decrease in Sint*, as did thickening the NiW seed layers. However, this decrease was masked by thermal effects at the normal magnetometry time-scales of measurement. Upon thickening the soft layer in the composite stack, Sint* increased sharply at first and then only slightly. In contrast, the extent of incoherent switching, estimated from the peak value of the minor loop slope, increased slowly at first, and then sharply. The changes in Sint* and switching are correlated to the microstructure, particularly, grain size effects for the NiW series and growth effects for the hard-soft composite media series. Media signal-to-noise ratio at low recording frequencies, and adjacent track interference also show correlations with Sint*.

  14. Ultrafast Study of Dynamic interfacial Exchange Coupling in Ferromagnet/Oxide/Semiconductor Heterostructures

    NASA Astrophysics Data System (ADS)

    Ou, Yu-Sheng; Chiu, Yi-Hsin; Harmon, Nicholas; Odenthal, Patrick; Sheffield, Matthew; Chilcote, Michael; Kawakami, Roland; Flatté, Michael; Johnston-Halperin, Ezekiel

    Time-resolved Kerr/Faraday rotation (TRKR/TRFR) is employed to study GaAs spin dynamics in the regime of strong and dynamic exchange coupling to an adjacent MgO/Fe layer. This study reveals a dramatic, resonant suppression in the inhomogeneous spin lifetime (T2*) in the GaAs layer. Further investigation of the magnetization dynamics of the neighboring Fe layer, also using TRKR/TRFR, reveals not only the expected Kittel-dispersion but also additional lower frequency modes with very short lifetime (65 ps) that are not easily observed with conventional ferromagnetic resonance (FMR) techniques. These results suggest the intriguing possibility of resonant dynamic spin transfer between the GaAs and Fe spin systems. We discuss the potential for this work to establish GaAs spin dynamics as an efficient detector of spin dissipation and transport in the regime of dynamically-driven spin injection in ferromagnet/semiconductor heterostructures. Center for Emergent Materials; U.S. Department of Energy.

  15. Effects of impurity states on exchange coupling in Fe/Fe3O4 junctions

    NASA Astrophysics Data System (ADS)

    Inoue, J.; Honda, S.; Itoh, H.; Mibu, K.; Yanagihara, H.; Kita, E.

    2012-05-01

    Exchange coupling (EC) in Fe/Fe3O4 junctions containing magnetic impurities and in-gap states at the interface is calculated using a formula obtained by a cleaved layer method. The model for EC is constructed by performing first-principles calculations of the electronic and magnetic states of Co, Mn, and Cr impurities on the Fe surface and those of in-gap states in a bulk γ-Fe2O3, which has the same lattice structure as Fe3O4 but contains Fe defects. We show that the effect of Co impurities on EC is opposite to that of Cr and Mn impurities and that in-gap states tend to cause parallel magnetization alignment of two ferromagnets. These results are attributed to the change in electronic states caused by the presence of impurities. Further, we compare calculated results with experimental ones obtained in Fe/Fe3O4 junctions and suggest that doping magnetic impurities at the interface could be a useful way to control the magnitude and sign of the EC.

  16. Effect of oxidation on interlayer exchange coupling in Fe|MgO|Fe tunnel junctions

    NASA Astrophysics Data System (ADS)

    Yang, H.-X.; Chshiev, M.; Kalitsov, A.; Schuhl, A.; Butler, W. H.

    2010-03-01

    The interlayer exchange coupling (IEC) in MgO-based magnetic tunnel junctions (MTJ) is a subject of major interest for spintronics community [1,2]. Recent experiments demonstrated that oxydation conditions strongly affect the character of the IEC in Fe/MgO/Fe(001) MTJs [3]. In order to elucidate the effect of over- and under-oxidation on the nature of the IEC in Fe|MgO|Fe MTJs, we performed systematic studies of the influence of O impurities and vacancies on the IEC using ab-initio and tight-binding approaches. We found that the O vacancies cause strong AF IEC in agreement with previous studies [2-4]. Furthermore, an additional O atom at the Fe|MgO interface makes the IEC ferromagnetic in for 3ML and above MgO thicknesses in agreement with experiment [3]. We demonstrate also that the full structural relaxation of ideal Fe|MgO|Fe MTJs may lead to the antiferromagnetic IEC. Tight-binding calculations of the IEC in the framework of the Keldysh formalism were also performed. The results obtained support our first principles calculations. [1] J. Faure-Vincent et al, Phys. Rev. Lett. 89, 107206 (2002); [2] T. Katayama et al., Appl. Phys. Lett. 89, 112503 (2006); [3] Y.F. Chiang et al, Phys. Rev. B 79, 184410 (2009); [4] M.Y. Zhuravlev et al, Phys. Rev. Lett. 94, 026806 (2005).

  17. Ion-pairing dynamics of Li{sup +} and SCN{sup -} in dimethylformamide solution: Chemical exchange two-dimensional infrared spectroscopy

    SciTech Connect

    Lee, Kyung-Koo; Park, Kwang-Hee; Kwon, Donghyun; Choi, Jun-Ho; Son, Hyewon; Park, Sungnam; Cho, Minhaeng

    2011-02-14

    Ultrafast two-dimensional infrared (2DIR) spectroscopy has been proven to be an exceptionally useful method to study chemical exchange processes between different vibrational chromophores under thermal equilibria. Here, we present experimental results on the thermal equilibrium ion pairing dynamics of Li{sup +} and SCN{sup -} ions in N,N-dimethylformamide. Li{sup +} and SCN{sup -} ions can form a contact ion pair (CIP). Varying the relative concentration of Li{sup +} in solution, we could control the equilibrium CIP and free SCN{sup -} concentrations. Since the CN stretch frequency of Li-SCN CIP is blue-shifted by about 16 cm{sup -1} from that of free SCN{sup -} ion, the CN stretch IR spectrum is a doublet. The temperature-dependent IR absorption spectra reveal that the CIP formation is an endothermic (0.57 kJ/mol) process and the CIP state has larger entropy by 3.12 J/(K mol) than the free ion states. Since the two ionic configurations are spectrally distinguishable, this salt solution is ideally suited for nonlinear IR spectroscopic investigations to study ion pair association and dissociation dynamics. Using polarization-controlled IR pump-probe methods, we first measured the lifetimes and orientational relaxation times of these two forms of ionic configurations. The vibrational population relaxation times of both the free ion and CIP are about 32 ps. However, the orientational relaxation time of the CIP, which is {approx}47 ps, is significantly longer than that of the free SCN{sup -}, which is {approx}7.7 ps. This clearly indicates that the effective moment of inertia of the CIP is much larger than that of the free SCN{sup -}. Then, using chemical exchange 2DIR spectroscopy and analyzing the diagonal peak and cross-peak amplitude changes with increasing the waiting time, we determined the contact ion pair association and dissociation time constants that are found to be 165 and 190 ps, respectively. The results presented and discussed in this paper are believed

  18. Investigating the Exchange-Coupling Interaction in Nanostructure Composite Particles of SrFe12O19 and ZnFe2O4

    NASA Astrophysics Data System (ADS)

    Mehdipour, M.; Shokrollahi, H.; Bahadoran, A.

    2014-09-01

    Ferromagnetic SrFe12O19-ZnFe2O4 nanostructure composite particles were synthesized by co-precipitation of chloride salts, in different stoichiometric ratios, by addition of sodium hydroxide solution. The resulting precursors were heat treated at temperatures in the range 800-1200°C for 4 h. Exchange interactions of the nanostructure composite particles were studied by use of exchange-coupling theory and plots of magnetic hysteresis. On the basis of exchange-coupling theory, the exchange interaction can be improved by increasing the soft phase content within the hard matrix. As temperature and soft phase ratio increase, the exchange interaction increases because of exchange length enhancement. The modified Brown's equation was also used to analyze the effects of exchange coupling on coercivity.

  19. Patterns of variation in the intergenic spacers of ribosomal DNA in Drosophila melanogaster support a model for genetic exchanges during X-Y pairing.

    PubMed

    Polanco, C; González, A I; Dover, G A

    2000-07-01

    Detailed analysis of variation in intergenic spacer (IGS) and internal transcribed spacer (ITS) regions of rDNA drawn from natural populations of Drosophila melanogaster has revealed contrasting patterns of homogenization although both spacers are located in the same rDNA unit. On the basis of the role of IGS regions in X-Y chromosome pairing, we proposed a mechanism of single-strand exchanges at the IGS regions, which can explain the different evolutionary trajectories followed by the IGS and the ITS regions. Here, we provide data from the chromosomal distribution of selected IGS length variants, as well as the detailed internal structure of a large number of IGS regions obtained from specific X and Y chromosomes. The variability found in the different internal subrepeat regions of IGS regions isolated from X and Y chromosomes supports the proposed mechanism of genetic exchanges and suggests that only the "240" subrepeats are involved. The presence of a putative site for topoisomerase I at the 5' end of the 18S rRNA gene would allow for the exchange between X and Y chromosomes of some 240 subrepeats, the promoter, and the ETS region, leaving the rest of the rDNA unit to evolve along separate chromosomal lineages. The phenomenon of localized units (modules) of homogenization has implications for multigene family evolution in general.

  20. Origin of open recoil curves in L10-A1 FePt exchange coupled nanocomposite thin film

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    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 L10-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.

  1. Off-easy-plane antiferromagnetic spin canting in coupled FePt/NiO bilayer structure with perpendicular exchange bias

    NASA Astrophysics Data System (ADS)

    Gao, Tenghua; Itokawa, Nobuhide; Wang, Jian; Yu, Youxing; Harumoto, Takashi; Nakamura, Yoshio; Shi, Ji

    2016-08-01

    We report on the investigation of perpendicular exchange bias in FePt (001 ) /NiO (1 ¯1 ¯1 ) orthogonal exchange couple with FePt partially L 10 ordered. From initial magnetization curve measurement and magnetic domain imaging, we find that, for the as-grown bilayer structure, the FePt layer experiences a small-angle magnetization rotation when it is magnetized near to saturation in film normal direction. After field cooling, the bilayer structure shows a significant enhancement of perpendicular magnetic anisotropy, indicating the field mediated coupling between the spins across the FePt/NiO interface. According to Koon's theoretical calculation on the basis of lowest energy ferromagnetic/antiferromagnetic coupling configuration for compensated spins at antiferromagnetic side, we consider slightly slanted Ni spins at the interface off the (1 ¯1 ¯1 ) easy plane can stabilize the spin coupling between FePt and NiO and result in the observed exchange bias in this paper. This consideration was further confirmed by stripe domain width calculation.

  2. Spin-wave excitations: the main source of the temperature dependence of interlayer exchange coupling in nanostructures.

    PubMed

    Schwieger, S; Kienert, J; Lenz, K; Lindner, J; Baberschke, K; Nolting, W

    2007-02-01

    Quantum mechanical calculations based on an extended Heisenberg model are compared with ferromagnetic resonance experiments on prototype trilayer systems Ni(7)/Cu(n)/Co(2)/Cu(001) in order to determine and separate for the first time quantitatively the sources of the temperature dependence of interlayer exchange coupling. Magnon excitations are responsible for about 75% of the reduction of the coupling strength from zero to room temperature. The remaining 25% are due to temperature effects in the effective quantum well and the spacer-magnet interfaces.

  3. On the Importance of Exchangeable NH Protons in Creatine for the Magnetic Coupling of Creatine Methyl Protons in Skeletal Muscle

    NASA Astrophysics Data System (ADS)

    Kruiskamp, M. J.; Nicolay, K.

    2001-03-01

    The methyl protons of creatine in skeletal muscle exhibit a strong off-resonance magnetization transfer effect. The mechanism of this process is unknown. We previously hypothesized that the exchangeable amide/amino protons of creatine might be involved. To test this the characteristics of the creatine magnetization transfer effect were investigated in excised rat hindleg skeletal muscle that was equilibrated in either H2O or D2O solutions containing creatine. The efficiency of off-resonance magnetization transfer to the protons of mobile creatine in excised muscle was similar to that previously reported in intact muscle in vivo. Equilibrating the isolated muscle in D2O solution had no effect on the magnetic coupling to the immobile protons. It is concluded that exchangeable protons play a negligible role in the magnetic coupling of creatine methyl protons in muscle.

  4. Tuning of interlayer exchange coupling in Ni80Fe20/Ru/Ni80Fe20 nanowires

    NASA Astrophysics Data System (ADS)

    Liu, X. M.; Lupo, P.; Cottam, M. G.; Adeyeye, A. O.

    2015-09-01

    In this work, we demonstrate how the static and dynamic properties of Ni80Fe20/Ru/Ni80Fe20 nanowires can be tuned by varying the Ru spacer layer thickness. Specifically, changing the Ru thickness we have tuned the Ruderman-Kittel-Kasuya-Yosida exchange interaction, and thus the antiferromagnetic (AFM) strength between the Ni80Fe20 layers. We show that there is a strong correlation between the interlayer coupling and features in ferromagnetic resonance (FMR) modes. We found different mode-softening degree of the FMR curves as function of the strength of AFM coupling, together with a clear frequency gap at around zero field. These experimental results are in qualitative agreement with presented micromagnetic simulations that also include biquadratic interface exchange. Understanding these characteristics may offer insights for reconfigurable vertical magnetic logic devices and microwave filters.

  5. Exchange coupling interaction in L10-FePd/α-Fe nanocomposite magnets with large maximum energy products.

    PubMed

    Sakuma, Noritsugu; Ohshima, Tsubasa; Shoji, Tetsuya; Suzuki, Yoshihito; Sato, Ryota; Wachi, Ayako; Kato, Akira; Kawai, Yoichiro; Manabe, Akira; Teranishi, Toshiharu

    2011-04-26

    Nanocomposite magnets (NCMs) consisting of hard and soft magnetic phases are expected to be instrumental in overcoming the current theoretical limit of magnet performance. In this study, structural analyses were performed on L1(0)-FePd/α-Fe NCMs with various hard/soft volume fractions, which were formed by annealing Pd/γ-Fe(2)O(3) heterostructured nanoparticles and pure Pd nanoparticles. The sample with a hard/soft volume ratio of 82/18 formed by annealing at 773 K had the largest maximum energy product (BH(max) = 10.3 MGOe). In such a sample, the interface between the hard and soft phases was coherent and the phase sizes were optimized, both of which effectively induced exchange coupling. This exchange coupling was directly observed by visualizing the magnetic interaction between the hard and soft phases using a first-order reversal curve diagram, which is a valuable tool to improve the magnetic properties of NCMs.

  6. Exchange bias and coercivity of Ni80Fe20 layer coupled with Fe-doped Cr2O3

    NASA Astrophysics Data System (ADS)

    Ki, Sanghoon; Dho, Joonghoe

    2010-05-01

    We have investigated the exchange bias and the coercivity in the ferromagnet Ni80Fe20 (NiFe) layer coupled with a polycrystalline Cr2(1-x)Fe2xO3(CFO; x=0.1,0.25) layer, which is known as an antiferromagnet with spiral spin order. For x=0.1, the exchange bias HEX and the coercivity HC at 10 K were 152 and 230 Oe, respectively, but their magnitudes rapidly decreased from 10 to 50 K at the temperature range that showed a splitting between zero-field-cooling and field-cooling magnetization data for the CFO target. This implies that the CFO has an unknown magnetic transition around ˜50 K in addition to the spiral antiferromagnetic transition at ˜250 K. For x=0.25, on the other hand, the exchange bias rapidly decreased from ˜170 Oe at 10 K to zero at ˜90 K.

  7. Positive-pion double-charge-exchange reaction: experiments on the isotopic pairs oxygen-16,18 and magnesium-24,26

    SciTech Connect

    Greene, S.J.

    1981-06-01

    The (..pi../sup +/,..pi../sup -/) double-charge-exchange (DCX) reaction has been performed on targets of T = 0,1 isospin (and isotopic) pairs /sup 16/ /sup 18/O and /sup 24/ /sup 26/Mg. Energy excitation functions of d sigma/d ..cap omega.., across the (3,3) ..pi..-N resonance, are presented for transitions to double-isobaric analog state (DIAS) and non-DIAS ground-state residual nuclei. Angular distributions in the region of 5/sup 0/ to 33/sup 0/ are presented for the DIAS from the T = 1 nuclei. The similarities and differences of DIAS and non-DIAS distributions are discussed in relation to reaction-mechanism and nuclear-structure effects. Also, a simple, two-amplitude model for the /sup 18/O excitation function, consistent with the data, is presented. The utility of DCX in nuclear mass measurements is discussed, with some examples.

  8. Identification of homologous pairing and strand-exchange activity from a human tumor cell line based on Z-DNA affinity chromatography

    SciTech Connect

    Fishel, R.A.; Detmer, K.; Rich, A.

    1988-01-01

    An enzymatic activity that catalyzes ATP-dependent homologous pairing and strand exchange of duplex linear DNA and single-stranded circular DNA has been purified several thousand-fold from a human leukemic T-lymphoblast cell line. The activity was identified after chromatography of nuclear proteins on a Z-DNA column matrix. The reaction was shown to transfer the complementary single strand from a donor duplex linear substrate to a viral circular single-stranded acceptor beginning at the 5' end and proceeding in the 3' direction. Products of the strand-transfer reaction were characterized by electron microscopy. A 74-kDa protein was identified as the major ATP-binding peptide in active strand transferase fractions. The protein preparation described in this report binds more strongly to Z-DNA than to B-DNA.

  9. The influence of interlayer exchange coupling in giant-magnetoresistive devices on spin diode effect in wide frequency range

    SciTech Connect

    Ziętek, Sławomir Skowroński, Witold; Wiśniowski, Piotr; Czapkiewicz, Maciej; Stobiecki, Tomasz; Ogrodnik, Piotr; Barnaś, Józef

    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.

  10. Stimulation of a Singlet Superconductivity in SFS Weak Links by Spin–Exchange Scattering of Cooper Pairs

    PubMed Central

    Samokhvalov, A. V.; Shekhter, R. I.; Buzdin, A. I.

    2014-01-01

    Josephson junctions with a ferromagnetic metal weak link reveal a very strong decrease of the critical current compared to a normal metal weak link. We demonstrate that in the ballistic regime the presence of a small region with a non-collinear magnetization near the center of a ferromagnetic weak link restores the critical current inherent to the normal metal. The above effect can be stimulated by additional electrical bias of the magnetic gate which induces a local electron depletion of ferromagnetic barrier. The underlying physics of the effect is the interference phenomena due to the magnetic scattering of the Cooper pair, which reverses its total momentum in the ferromagnet and thus compensates the phase gain before and after the spin–reversed scattering. In contrast with the widely discussed triplet long ranged proximity effect we elucidate a new singlet long ranged proximity effect. This phenomenon opens a way to easily control the properties of SFS junctions and inversely to manipulate the magnetic moment via the Josephson current. PMID:25011929

  11. Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP)

    NASA Astrophysics Data System (ADS)

    Snyder, David A.; Chantova, Mihaela; Chaudhry, Saadia

    2015-06-01

    NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase.

  12. Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP).

    PubMed

    Snyder, David A; Chantova, Mihaela; Chaudhry, Saadia

    2015-06-01

    NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase.

  13. Internucleotide J-couplings and chemical shifts of the N-H···N hydrogen-bonds in the radiation-damaged guanine-cytosine base pairs.

    PubMed

    Li, Huifang; Zhang, Laibin; Han, Li; Sun, Wenming; Bu, Yuxiang

    2011-04-30

    Internucleotide (2h)J(NN) spin-spin couplings and chemical shifts (δ((1)H) and Δδ((15)N)) of N-H···N H-bond units in the natural and radiation-damaged G-C base pairs were predicted using the appropriate density functional theory calculations with a large basis set. Four possible series of the damaged G-C pairs (viz., dehydrogenated and deprotonated G-C pairs, GC(•-) and GC(•+) radicals) were discussed carefully in this work. Computational NMR results show that radicalization and anionization of the base pairs can yield strong effect on their (2h)J(NN) spin scalar coupling constants and the corresponding chemical shifts. Thus, variations of the NMR parameters associated with the N-H···N H-bonds may be taken as an important criterion for prejudging whether the natural G-C pair is radiation-damaged or not. Analysis shows that (2h)J(NN) couplings are strongly interrelated with the energy gaps (ΔE(LP→σ*)) and the second-order interaction energies (E(2)) between the donor N lone-pair (LP(N)) and the acceptor σ*(N-H) localized NBO orbitals, and also are sensitive to the electron density distributions over the σ*(N-H) orbital, indicating that (2h)J(NN) couplings across the N-H···N H-bonds are charge-transfer-controlled. This is well supported by variation of the electrostatic potential surfaces and corresponding charge transfer amount between G and C moieties. It should be noted that although the NMR spectra for the damaged G-C pair radicals are unavailable now and the states of the radicals are usually detected by the electron spin resonance, this study provides a correlation of the properties of the damaged DNA species with some of the electronic parameters associated with the NMR spectra for the understanding of the different state character of the damaged DNA bases.

  14. Characterization of synthetic dyes by comprehensive two-dimensional liquid chromatography combining ion-exchange chromatography and fast ion-pair reversed-phase chromatography.

    PubMed

    Pirok, Bob W J; Knip, Jitske; van Bommel, Maarten R; Schoenmakers, Peter J

    2016-03-01

    In the late 19th century, newly invented synthetic dyes rapidly replaced the natural dyes on the market. The characterization of mixtures of these so-called early synthetic dyes is complicated through the occurrence of many impurities and degradation products. Conventional one-dimensional liquid chromatography does not suffice to obtain fingerprints with sufficient resolution and baseline integrity. Comprehensive two-dimensional liquid chromatography (LC×LC) is employed in this study, with ion-exchange chromatography in the first dimension and fast ion-pair liquid chromatography in the second. Retention in the first dimension is largely determined by the number of charges, while the selection of a small ion-pair reagent (tetramethylammonium hydroxide) in the second dimension causes retention to be largely determined by the molecular structure of the dye. As a result, there is a high degree of orthogonality of the two dimensions, similar to the values typically encountered in GC×GC. The proposed LC×LC method shows a theroretical peak capacity of about 2000 in an analysis time of about three hours. Clear, informative fingerprints are obtained that open a way to a more efficient characterization of dyes used in objects of cultural heritage.

  15. Characterization of synthetic dyes by comprehensive two-dimensional liquid chromatography combining ion-exchange chromatography and fast ion-pair reversed-phase chromatography.

    PubMed

    Pirok, Bob W J; Knip, Jitske; van Bommel, Maarten R; Schoenmakers, Peter J

    2016-03-01

    In the late 19th century, newly invented synthetic dyes rapidly replaced the natural dyes on the market. The characterization of mixtures of these so-called early synthetic dyes is complicated through the occurrence of many impurities and degradation products. Conventional one-dimensional liquid chromatography does not suffice to obtain fingerprints with sufficient resolution and baseline integrity. Comprehensive two-dimensional liquid chromatography (LC×LC) is employed in this study, with ion-exchange chromatography in the first dimension and fast ion-pair liquid chromatography in the second. Retention in the first dimension is largely determined by the number of charges, while the selection of a small ion-pair reagent (tetramethylammonium hydroxide) in the second dimension causes retention to be largely determined by the molecular structure of the dye. As a result, there is a high degree of orthogonality of the two dimensions, similar to the values typically encountered in GC×GC. The proposed LC×LC method shows a theroretical peak capacity of about 2000 in an analysis time of about three hours. Clear, informative fingerprints are obtained that open a way to a more efficient characterization of dyes used in objects of cultural heritage. PMID:26868445

  16. Probing the top-Higgs coupling through the secondary lepton distributions in the associated production of the top-quark pair and Higgs boson at the LHC

    NASA Astrophysics Data System (ADS)

    Kołodziej, Karol; Słapik, Aleksandra

    2015-10-01

    We complement the analysis of the anomalous top-Higgs coupling effects on the secondary lepton distributions in the associated production of the top-quark pair and Higgs boson in proton-proton collisions at the LHC of the former work by one of the present authors by taking into account the quark-antiquark production mechanism. We also present simple arguments which explain why the effects of the scalar and pseudoscalar anomalous couplings on the unpolarized cross section of the process are completely insensitive to the sign of either of them.

  17. Build/couple/pair strategy combining the Petasis 3-component reaction with Ru-catalyzed ring-closing metathesis and isomerization.

    PubMed

    Ascic, Erhad; Le Quement, Sebastian T; Ishoey, Mette; Daugaard, Mathilde; Nielsen, Thomas E

    2012-04-01

    A "build/couple/pair" pathway for the systematic synthesis of structurally diverse small molecules is presented. The Petasis 3-component reaction was used to synthesize anti-amino alcohols displaying pairwise reactive combinations of alkene moieties. Upon treatment with a ruthenium alkylidene-catalyst, these dienes selectively underwent ring-closing metathesis reactions to form 5- and 7-membered heterocycles and cyclic aminals via a tandem isomerization/N-alkyliminium cyclization sequence.

  18. Layer-dependent dopant stability and magnetic exchange coupling of iron-doped MoS2 nanosheets.

    PubMed

    Shu, Haibo; Luo, Pengfei; Liang, Pei; Cao, Dan; Chen, Xiaoshuang

    2015-04-15

    Using density-functional theory calculations including a Hubbard U term we explore structural stability, electronic and magnetic properties of Fe-doped MoS2 nanosheets. Unlike previous reports, the geometry and the stability of Fe dopant atoms in MoS2 nanosheets strongly depend on the chemical potential and the layer number of sheets. The substitution Fe dopant atoms at the Mo sites are energetically favorable in monolayer MoS2 and the formation of intercalated and substitutional Fe complexes are preferred in bilayer and multilayer ones under the S-rich regime that is a popular condition for the synthesis of MoS2 nanosheets. We find that the Fe dopants prefer to the ferromagnetic coupling in monolayer MoS2 and the antiferromagnetic coupling in bilayer and multilayer ones, suggesting the layer dependence of magnetic exchange coupling (MEC). The transition of MEC in Fe-doped MoS2 sheets induced by the change of layer number arises from the competition mechanism between the double-exchange and superexchange couplings. The findings provide a route to facilitate the design of MoS2-based diluted magnetic semiconductors and spintronic devices.

  19. Determination of perchlorate in river by ion-pair hollow-fiber liquid-phase microextraction coupled with electrospray ionization tandem mass spectrometry.

    PubMed

    Chen, Hsin-Chang; Chen, Wen-Tsen; Ding, Wang-Hsien

    2009-07-15

    This paper describes the analysis of perchlorate (ClO(4)(-)) in surface water samples by a rapid and reliable ion-pair hollow-fiber liquid-phase microextraction (HF-LPME) method coupled with flow-injection electrospray ionization tandem mass spectrometry (ESI-MS-MS) technique. The effects of the type and concentration of ion-pairing reagents, extraction time, temperature and pH value on the quantitative extraction of perchlorate by ion-pair HF-LPME were investigated and optimized. Di-n-hexyl ammonium acetate (DHAA) was employed to form an extractable ion-pair complex with aqueous perchlorate. The characteristic ions [ClO(4)-ClO(4)-DHA](-) at m/z 384.6 and 386.7 were observed in the ESI negative-ionization mode. The predominant product ions [ClO(4)](-) at m/z 99 and 101 were used for quantitation and to maximize the detection selectivity and sensitivity. The limit of detection (LOD) was 0.5 microg/L. The reliability and precision of the standard addition method of ion-pair HF-LPME for the determination of trace levels of perchlorate in surface water were demonstrated.

  20. Tailoring the interfacial exchange coupling of perpendicularly magnetized Co/L10-Mn1.5Ga bilayers

    NASA Astrophysics Data System (ADS)

    Xiao, J. X.; Lu, J.; Liu, W. Q.; Zhang, Y. W.; Wang, H. L.; Zhu, L. J.; Deng, H. X.; Wei, D. H.; Xu, Y. B.; Zhao, J. H.

    2016-06-01

    We have studied the magnetic properties of Co (2-12 MLs)/L10-Mn1.5Ga (15 nm) bilayers without and with annealing at 300 °C by a combination of superconducting quantum interference device (SQUID) magnetometry and x-ray magnetic circular dichroism (XMCD). We find that the Co layer can remain perpendicularly magnetized when its thickness is less than six monolayers due to the coupling between Co and L10-Mn1.5Ga layers, which is doubly confirmed by both SQUID and XMCD measurements. Such an exchange coupling between L10-Mn1.5Ga and Co layers changes from ferromagnetic coupling to antiferromagnetic coupling after the annealing process. Furthermore, the magnetic coupling can also be tailored from ferromagnetic to antiferromagnetic by changing the L10-Mn1.5Ga surface from Mn-rich to Ga-rich. The first-principles calculations show that the interfacial coupling type is ferromagnetic for a Mn-terminated L10-Mn1.5Ga bilayer, while antiferromagnetic for a Ga-terminated bilayer. The spin and orbital moments of Co in the Co/L10-Mn1.5Ga bilayers are calculated according to the sum rules and the ratio of the orbital to spin magnetic moments for Co is not enhanced like other perpendicularly magnetized Co-based multilayers such as Co/Pd and Co/Pt.

  1. Tailoring the interfacial exchange coupling of perpendicularly magnetized Co/L10-Mn1.5Ga bilayers

    NASA Astrophysics Data System (ADS)

    Xiao, J. X.; Lu, J.; Liu, W. Q.; Zhang, Y. W.; Wang, H. L.; Zhu, L. J.; Deng, H. X.; Wei, D. H.; Xu, Y. B.; Zhao, J. H.

    2016-06-01

    We have studied the magnetic properties of Co (2–12 MLs)/L10-Mn1.5Ga (15 nm) bilayers without and with annealing at 300 °C by a combination of superconducting quantum interference device (SQUID) magnetometry and x-ray magnetic circular dichroism (XMCD). We find that the Co layer can remain perpendicularly magnetized when its thickness is less than six monolayers due to the coupling between Co and L10-Mn1.5Ga layers, which is doubly confirmed by both SQUID and XMCD measurements. Such an exchange coupling between L10-Mn1.5Ga and Co layers changes from ferromagnetic coupling to antiferromagnetic coupling after the annealing process. Furthermore, the magnetic coupling can also be tailored from ferromagnetic to antiferromagnetic by changing the L10-Mn1.5Ga surface from Mn-rich to Ga-rich. The first-principles calculations show that the interfacial coupling type is ferromagnetic for a Mn-terminated L10-Mn1.5Ga bilayer, while antiferromagnetic for a Ga-terminated bilayer. The spin and orbital moments of Co in the Co/L10-Mn1.5Ga bilayers are calculated according to the sum rules and the ratio of the orbital to spin magnetic moments for Co is not enhanced like other perpendicularly magnetized Co-based multilayers such as Co/Pd and Co/Pt.

  2. Kinetics and stoichiometry of coupled Na efflux and Ca influx (Na/Ca exchange) in barnacle muscle cells

    PubMed Central

    1989-01-01

    Coupled Na+ exit/Ca2+ entry (Na/Ca exchange operating in the Ca2+ influx mode) was studied in giant barnacle muscle cells by measuring 22Na+ efflux and 45Ca2+ influx in internally perfused, ATP-fueled cells in which the Na+ pump was poisoned by 0.1 mM ouabain. Internal free Ca2+, [Ca2+]i, was controlled with a Ca-EGTA buffering system containing 8 mM EGTA and varying amounts of Ca2+. Ca2+ sequestration in internal stores was inhibited with caffeine and a mitochondrial uncoupler (FCCP). To maximize conditions for Ca2+ influx mode Na/Ca exchange, and to eliminate tracer Na/Na exchange, all of the external Na+ in the standard Na+ sea water (NaSW) was replaced by Tris or Li+ (Tris-SW or LiSW, respectively). In both Na-free solutions an external Ca2+ (Cao)-dependent Na+ efflux was observed when [Ca2+]i was increased above 10(-8) M; this efflux was half-maximally activated by [Ca2+]i = 0.3 microM (LiSW) to 0.7 microM (Tris-SW). The Cao-dependent Na+ efflux was half-maximally activated by [Ca2+]o = 2.0 mM in LiSW and 7.2 mM in Tris-SW; at saturating [Ca2+]o, [Ca2+]i, and [Na+]i the maximal (calculated) Cao-dependent Na+ efflux was approximately 75 pmol#cm2.s. This efflux was inhibited by external Na+ and La3+ with IC50's of approximately 125 and 0.4 mM, respectively. A Nai-dependent Ca2+ influx was also observed in Tris-SW. This Ca2+ influx also required [Ca2+]i greater than 10(-8) M. Internal Ca2+ activated a Nai-independent Ca2+ influx from LiSW (tracer Ca/Ca exchange), but in Tris-SW virtually all of the Cai-activated Ca2+ influx was Nai-dependent (Na/Ca exchange). Half-maximal activation was observed with [Na+]i = 30 mM. The fact that internal Ca2+ activates both a Cao-dependent Na+ efflux and a Nai- dependent Ca2+ influx in Tris-SW implies that these two fluxes are coupled; the activating (intracellular) Ca2+ does not appear to be transported by the exchanger. The maximal (calculated) Nai-dependent Ca2+ influx was -25 pmol/cm2.s. At various [Na+]i between 6 and 106 m

  3. Semiclassical Models for Virtual Antiparticle Pairs, the Unit of Charge e, and the QCD Coupling alpha(sub s)

    NASA Technical Reports Server (NTRS)

    Batchelor, David; Zukor, Dorothy (Technical Monitor)

    2001-01-01

    New semiclassical models of virtual antiparticle pairs are used to compute the pair lifetimes, and good agreement with the Heisenberg lifetimes from quantum field theory (QFT) is found. The modeling method applies to both the electromagnetic and color forces. Evaluation of the action integral of potential field fluctuation for each interaction potential yields approximately Planck's constant/2 for both electromagnetic and color fluctuations, in agreement with QFT. Thus each model is a quantized semiclassical representation for such virtual antiparticle pairs, to good approximation. When the results of the new models and QFT are combined, formulae for e and alpha(sub s)(q) are derived in terms of only Planck's constant and c.

  4. Realizing topological stability of magnetic helices in exchange-coupled multilayers for all-spin-based system

    NASA Astrophysics Data System (ADS)

    Fust, Sergej; Mukherjee, Saumya; Paul, Neelima; Stahn, Jochen; Kreuzpaintner, Wolfgang; Böni, Peter; Paul, Amitesh

    2016-09-01

    Topologically stabilized spin configurations like helices in the form of planar domain walls (DWs) or vortex-like structures with magnetic functionalities are more often a theoretical prediction rather than experimental realization. In this paper we report on the exchange coupling and helical phase characteristics within Dy-Fe multilayers. The magnetic hysteresis loops with temperature show an exchange bias field of around 1.0 kOe at 10 K. Polarized neutron reflectivity reveal (i) ferrimagnetic alignment of the layers at low fields forming twisted magnetic helices and a more complicated but stable continuous helical arrangement at higher fields (ii) direct evidence of helices in the form of planar 2π-DWs within both layers of Fe and Dy. The helices within the Fe layers are topologically stabilized by the reasonably strong induced in-plane magnetocrystalline anisotropy of Dy and the exchange coupling at the Fe-Dy interfaces. The helices in Dy are plausibly reminiscent of the helical ordering at higher temperatures induced by the field history and interfacial strain. Stability of the helical order even at large fields have resulted in an effective modulation of the periodicity of the spin-density like waves and subsequent increase in storage energy. This opens broad perspectives for future scientific and technological applications in increasing the energy density for systems in the field of all-spin-based engineering which has the potential for energy-storing elements on nanometer length scales.

  5. Realizing topological stability of magnetic helices in exchange-coupled multilayers for all-spin-based system

    PubMed Central

    Fust, Sergej; Mukherjee, Saumya; Paul, Neelima; Stahn, Jochen; Kreuzpaintner, Wolfgang; Böni, Peter; Paul, Amitesh

    2016-01-01

    Topologically stabilized spin configurations like helices in the form of planar domain walls (DWs) or vortex-like structures with magnetic functionalities are more often a theoretical prediction rather than experimental realization. In this paper we report on the exchange coupling and helical phase characteristics within Dy-Fe multilayers. The magnetic hysteresis loops with temperature show an exchange bias field of around 1.0 kOe at 10 K. Polarized neutron reflectivity reveal (i) ferrimagnetic alignment of the layers at low fields forming twisted magnetic helices and a more complicated but stable continuous helical arrangement at higher fields (ii) direct evidence of helices in the form of planar 2π-DWs within both layers of Fe and Dy. The helices within the Fe layers are topologically stabilized by the reasonably strong induced in-plane magnetocrystalline anisotropy of Dy and the exchange coupling at the Fe-Dy interfaces. The helices in Dy are plausibly reminiscent of the helical ordering at higher temperatures induced by the field history and interfacial strain. Stability of the helical order even at large fields have resulted in an effective modulation of the periodicity of the spin-density like waves and subsequent increase in storage energy. This opens broad perspectives for future scientific and technological applications in increasing the energy density for systems in the field of all-spin-based engineering which has the potential for energy-storing elements on nanometer length scales. PMID:27677227

  6. Interfacial exchange coupling in cubic Heusler Co2FeZ (Z = Al and Si)/tetragonal Mn3Ga bilayers

    NASA Astrophysics Data System (ADS)

    Ranjbar, R.; Suzuki, K.; Sugihara, A.; Ma, Q. L.; Zhang, X. M.; Miyazaki, T.; Ando, Y.; Mizukami, S.

    2015-05-01

    We have fabricated bilayer films of tetragonal Heusler-like D022 Mn3Ga and cubic Heusler Co2FeZ (Z = Si and Al) on (100) single-crystalline MgO substrates and investigated their structural and interfacial exchange coupling. The coupling in the Mn3Ga/Co2FeAl bilayer was either ferromagnetic or antiferromagnetic, depending on annealing temperature, whereas only antiferromagnetic exchange coupling was observed in the Mn3Ga/Co2FeSi bilayers. The effects of annealing on the structure and coupling strength in the bilayers are discussed.

  7. NOAH-GECROS: A coupled land surface - crop growth model for simulating water and energy exchange between croplands and atmosphere

    NASA Astrophysics Data System (ADS)

    Ingwersen, J.; Streck, T.

    2011-12-01

    The current NOAH land surface model (LSM) describes the vegetation dynamics of croplands in a prescribed and generalized way leading under some conditions to a biased energy partitioning of net radiation and disabling the feedback of atmospheric conditions on land surface properties (LS) in coupled weather and climate simulations. The aim of the present study was to couple the NOAH LSM with the generic crop growth model (CGM) GECROS for improving the description of vegetation dynamics over croplands. We tested two different coupling approaches. In the first approach ("data hand-over"- coupling), the two self-contained models simply exchange data between each time step. GECROS hands over data on plant phenology. NOAH delivers the amount of plant available water in the rooting zone and computes the surface exchange fluxes. In the second approach ("cut and merge"- coupling) we cut from the NOAH code the empirical Jarvis scheme for computing canopy transpiration and merged the remaining code with the GECROS CGM. In this way, we introduced a Penman-Monteith approach, in which the stomatal resistance is a function of photosynthesis, for computing canopy transpiration. The coupled model runs were benchmarked against an uncoupled NOAH simulation based on a field-specific parameterization. All simulations were compared with "sensible heat flux"- corrected eddy covariance (EC) flux measurements, which were collected over a winter wheat stand in Southwest Germany during the vegetation period in 2009. The "cut and merge"- coupling significantly outperformed the field-specific uncoupled NOAH simulation. While, for example, the root mean square error (RMSE) of the latent heat (LE) fluxes of the uncoupled NOAH simulation was on average 73.0 W m-2, the RMSE of the coupled LS-CGM was 16.2 W m-2. The simulation of the sensible heat flux was improved in a similar magnitude. The "data hand-over" approach also slightly improved the simulation (RMSE of LE fluxes = 54.3 W m-2) but showed

  8. Detecting and estimating rectification of gap junction conductance based on simulations of dual-cell recordings from a pair and a network of coupled cells.

    PubMed

    Fortier, Pierre A

    2010-07-21

    Gap junctions can exhibit rectification of conductance. Some reports use inequality of coupling coefficients as the first sign of the possible existence of rectification (Devor and Yarom, 2002; Fan et al., 2005; Levavi-Sivan et al., 2005; Mann-Metzer and Yarom, 1999; Nolan et al., 1999; Szabadics et al., 2001). However, mathematical modeling and simulations of electrotonic coupling between an isolated pair of neurons showed conditions where the coupling coefficients were unreliable indicators of rectification. On the other hand, the transfer resistances were found to be reliable indicators of junctional rectification. The existing mathematical model of cell coupling (Bennett, 1966; Devor and Yarom, 2002; Verselis and Veenstra, 2000) was extended in order to measure rectification of the junctional conductances directly between dual-recorded neurons whether isolated or surrounded by a simulated 3-dimensional network of heterogeneous cells whose gap junctions offered parallel paths for current flow between the recorded neurons. The results showed that the transfer resistances could still detect rectification of the gap junction linking the dual-recorded neurons when embedded in a coupled cell network and that a mathematical model could estimate the conductances in both directions through this gap junction using only data that would be available from real dual-intracellular penetrations which allow electrophysiological recordings and intracellular staining. Rectification of gap junctions in unrecorded cells of a biologically realistic coupled cell network had negligible effects on the voltage responses of the dual-recorded neurons because of minimal current passing through these surrounding cells.

  9. Land-atmosphere CO2 exchange simulated by a land surface process model coupled to an atmospheric general circulation model

    NASA Astrophysics Data System (ADS)

    Bonan, Gordon B.

    1995-02-01

    CO2 uptake during plant photosynthesis and CO2 loss during plant and microbial respiration were added to a land surface process model to simulate the diurnal and annual cycles of biosphere-atmosphere CO2 exchange. The model was coupled to a modified version of the National Center for Atmospheric Research (NCAR) Community Climate Model version 2 (CCM2), and the coupled model was run for 5 years. The geographic patterns of annual net primary production are qualitatively similar to other models. When compared by vegetation type, annual production and annual microbial respiration are consistent with other models, except for needleleaf evergreen tree vegetation, where production is too high, and semidesert vegetation, where production and microbial respiration are too low. The seasonality of the net CO2 flux agrees with other models in the southern hemisphere and the tropics. The diurnal range is large for photosynthesis and lower for plant and microbial respiration, which agrees with qualitative expectations. The simulation of the central United States is poor due to temperature and precipitation biases in the coupled model. Despite these deficiencies the current approach is a promising means to include terrestrial CO2 fluxes in a climate system model that simulates atmospheric CO2 concentrations, because it alleviates important parameterization discrepancies between standard biogeochemical models and the land surface models typically used in general circulation models, and because the model resolves the diurnal range of CO2 exchange, which can be large (15 - 45 micromol CO2 sq m/s).

  10. Leukemia-Associated Rho Guanine Nucleotide Exchange Factor Promotes Gαq-Coupled Activation of RhoA

    PubMed Central

    Booden, Michelle A.; Siderovski, David P.; Der, Channing J.

    2002-01-01

    Leukemia-associated Rho guanine-nucleotide exchange factor (LARG) belongs to the subfamily of Dbl homology RhoGEF proteins (including p115 RhoGEF and PDZ-RhoGEF) that possess amino-terminal regulator of G protein signaling (RGS) boxes also found within GTPase-accelerating proteins (GAPs) for heterotrimeric G protein α subunits. p115 RhoGEF stimulates the intrinsic GTP hydrolysis activity of Gα12/13 subunits and acts as an effector for G13-coupled receptors by linking receptor activation to RhoA activation. The presence of RGS box and Dbl homology domains within LARG suggests this protein may also function as a GAP toward specific Gα subunits and couple Gα activation to RhoA-mediating signaling pathways. Unlike the RGS box of p115 RhoGEF, the RGS box of LARG interacts not only with Gα12 and Gα13 but also with Gαq. In cellular coimmunoprecipitation studies, the LARG RGS box formed stable complexes with the transition state mimetic forms of Gαq, Gα12, and Gα13. Expression of the LARG RGS box diminished the transforming activity of oncogenic G protein-coupled receptors (Mas, G2A, and m1-muscarinic cholinergic) coupled to Gαq and Gα13. Activated Gαq, as well as Gα12 and Gα13, cooperated with LARG and caused synergistic activation of RhoA, suggesting that all three Gα subunits stimulate LARG-mediated activation of RhoA. Our findings suggest that the RhoA exchange factor LARG, unlike the related p115 RhoGEF and PDZ-RhoGEF proteins, can serve as an effector for Gq-coupled receptors, mediating their functional linkage to RhoA-dependent signaling pathways. PMID:12024019

  11. International Union of Basic and Clinical Pharmacology. LXXXVIII. G Protein-Coupled Receptor List: Recommendations for New Pairings with Cognate Ligands

    PubMed Central

    Alexander, Stephen P. H.; Sharman, Joanna L.; Pawson, Adam J.; Benson, Helen E.; Monaghan, Amy E.; Liew, Wen Chiy; Mpamhanga, Chidochangu P.; Bonner, Tom I.; Neubig, Richard R.; Pin, Jean Philippe; Spedding, Michael; Harmar, Anthony J.

    2013-01-01

    In 2005, the International Union of Basic and Clinical Pharmacology Committee on Receptor Nomenclature and Drug Classification (NC-IUPHAR) published a catalog of all of the human gene sequences known or predicted to encode G protein-coupled receptors (GPCRs), excluding sensory receptors. This review updates the list of orphan GPCRs and describes the criteria used by NC-IUPHAR to recommend the pairing of an orphan receptor with its cognate ligand(s). The following recommendations are made for new receptor names based on 11 pairings for class A GPCRs: hydroxycarboxylic acid receptors [HCA1 (GPR81) with lactate, HCA2 (GPR109A) with 3-hydroxybutyric acid, HCA3 (GPR109B) with 3-hydroxyoctanoic acid]; lysophosphatidic acid receptors [LPA4 (GPR23), LPA5 (GPR92), LPA6 (P2Y5)]; free fatty acid receptors [FFA4 (GPR120) with omega-3 fatty acids]; chemerin receptor (CMKLR1; ChemR23) with chemerin; CXCR7 (CMKOR1) with chemokines CXCL12 (SDF-1) and CXCL11 (ITAC); succinate receptor (SUCNR1) with succinate; and oxoglutarate receptor [OXGR1 with 2-oxoglutarate]. Pairings are highlighted for an additional 30 receptors in class A where further input is needed from the scientific community to validate these findings. Fifty-seven human class A receptors (excluding pseudogenes) are still considered orphans; information has been provided where there is a significant phenotype in genetically modified animals. In class B, six pairings have been reported by a single publication, with 28 (excluding pseudogenes) still classified as orphans. Seven orphan receptors remain in class C, with one pairing described by a single paper. The objective is to stimulate research into confirming pairings of orphan receptors where there is currently limited information and to identify cognate ligands for the remaining GPCRs. Further information can be found on the IUPHAR Database website (http://www.iuphar-db.org). PMID:23686350

  12. International Union of Basic and Clinical Pharmacology. LXXXVIII. G protein-coupled receptor list: recommendations for new pairings with cognate ligands.

    PubMed

    Davenport, Anthony P; Alexander, Stephen P H; Sharman, Joanna L; Pawson, Adam J; Benson, Helen E; Monaghan, Amy E; Liew, Wen Chiy; Mpamhanga, Chidochangu P; Bonner, Tom I; Neubig, Richard R; Pin, Jean Philippe; Spedding, Michael; Harmar, Anthony J

    2013-07-01

    In 2005, the International Union of Basic and Clinical Pharmacology Committee on Receptor Nomenclature and Drug Classification (NC-IUPHAR) published a catalog of all of the human gene sequences known or predicted to encode G protein-coupled receptors (GPCRs), excluding sensory receptors. This review updates the list of orphan GPCRs and describes the criteria used by NC-IUPHAR to recommend the pairing of an orphan receptor with its cognate ligand(s). The following recommendations are made for new receptor names based on 11 pairings for class A GPCRs: hydroxycarboxylic acid receptors [HCA₁ (GPR81) with lactate, HCA₂ (GPR109A) with 3-hydroxybutyric acid, HCA₃ (GPR109B) with 3-hydroxyoctanoic acid]; lysophosphatidic acid receptors [LPA₄ (GPR23), LPA₅ (GPR92), LPA₆ (P2Y5)]; free fatty acid receptors [FFA4 (GPR120) with omega-3 fatty acids]; chemerin receptor (CMKLR1; ChemR23) with chemerin; CXCR7 (CMKOR1) with chemokines CXCL12 (SDF-1) and CXCL11 (ITAC); succinate receptor (SUCNR1) with succinate; and oxoglutarate receptor [OXGR1 with 2-oxoglutarate]. Pairings are highlighted for an additional 30 receptors in class A where further input is needed from the scientific community to validate these findings. Fifty-seven human class A receptors (excluding pseudogenes) are still considered orphans; information has been provided where there is a significant phenotype in genetically modified animals. In class B, six pairings have been reported by a single publication, with 28 (excluding pseudogenes) still classified as orphans. Seven orphan receptors remain in class C, with one pairing described by a single paper. The objective is to stimulate research into confirming pairings of orphan receptors where there is currently limited information and to identify cognate ligands for the remaining GPCRs. Further information can be found on the IUPHAR Database website (http://www.iuphar-db.org).

  13. Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants.

    PubMed

    Korona, Tatiana

    2008-11-21

    A new formulation of the second-order exchange-induction energy of symmetry-adapted perturbation theory is presented. In the proposed formalism the exchange-induction energy is expressed through one- and two-particle reduced density matrices of monomers, which are of zeroth and first order with respect to the effective electrostatic potential of another monomer. The resulting expression is further modified by using the partition of two-particle density matrices into the antisymmetrized product of one-particle density matrices and the remaining cumulant part. The proposed formalism has been applied to the case of closed-shell monomers and for density matrices obtained from the expectation-value expression with coupled cluster singles and doubles wave functions. The performance of the new approach has been demonstrated on several benchmark van der Waals systems, including dimers of argon, water, and ethyne.

  14. Low-temperature, non-stoichiometric oxygen isotope exchange coupled to Fe(II)-goethite interactions

    SciTech Connect

    Frierdich, Andrew J.; Beard, Brian L.; Rosso, Kevin M.; Scherer, Michelle M.; Spicuzza, Michael J.; Valley, John W.; Johnson, Clark M.

    2015-07-01

    The oxygen isotope composition of natural iron oxide minerals has been widely used as a paleoclimate proxy. Interpretation of their stable isotope compositions, however, requires accurate knowledge of isotopic fractionation factors and an understanding of their isotopic exchange kinetics, the latter of which informs us how diagenetic processes may alter their isotopic compositions. Prior work has demonstrated that crystalline iron oxides do not significantly exchange oxygen isotopes with pure water at low temperature, which has restricted studies of isotopic fractionation factors to precipitation experiments or theoretical calculations. Using a double three-isotope method (¹⁸O-¹⁷O-¹⁶O and ⁵⁷Fe-⁵⁶Fe-⁵⁴Fe) we compare O and Fe isotope exchange kinetics, and demonstrate, for the first time, that O isotope exchange between structural O in crystalline goethite and water occurs in the presence of aqueous Fe(II) (Fe(II)aq) at ambient temperature (i.e., 22–50 °C). The three-isotope method was used to extrapolate partial exchange results to infer the equilibrium, mass-dependent isotope fractionations between goethite and water. In addition, this was combined with a reversal approach to equilibrium by reacting goethite in two unique waters that vary in composition by about 16‰ in ¹⁸O/¹⁶O ratios. Our results show that interactions between Fe(II)aq and goethite catalyzes O isotope exchange between the mineral and bulk fluid; no exchange (within error) is observed when goethite is suspended in ¹⁷O-enriched water in the absence of Fe(II)aq. In contrast, Fe(II)-catalyzed O isotope exchange is accompanied by significant changes in ¹⁸O/¹⁶O ratios. Despite significant O exchange, however, we observed disproportionate amounts of Fe versus O exchange, where Fe isotope exchange in goethite was roughly three times that of O. This disparity provides novel insight into the reactivity of oxide minerals in aqueous

  15. The Relationship of Exchange-Orientation to Friendship Intensity, Roommate Compatability, Anxiety, and Friendship.

    ERIC Educational Resources Information Center

    Murstein, Bernard I.; Azar, James A.

    1986-01-01

    The Exchange-Orientation Scale (E) was given to 98 randomly assigned roommate pairs. Interpersonal compatability was higher for nonexchange couples as compared to exchange couples. Anxiety correlated with E for women but not for men, but paranoia was not associated with E for both women and men. (Author/ABB)

  16. Direct analysis of ultra-trace semiconductor gas by inductively coupled plasma mass spectrometry coupled with gas to particle conversion-gas exchange technique.

    PubMed

    Ohata, Masaki; Sakurai, Hiromu; Nishiguchi, Kohei; Utani, Keisuke; Günther, Detlef

    2015-09-01

    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.

  17. Charge-exchange coupling between pickup ions across the heliopause and its effect on energetic neutral hydrogen flux

    SciTech Connect

    Zirnstein, E. J.; Heerikhuisen, J.; Zank, G. P.; Pogorelov, N. V.; McComas, D. J.; Desai, M. I.

    2014-03-10

    Pickup ions (PUIs) appear to play an integral role in the multi-component nature of the plasma in the interaction between the solar wind (SW) and local interstellar medium (LISM). Three-dimensional (3D) MHD simulations with a kinetic treatment for neutrals and PUIs are currently still not viable. In light of recent energetic neutral atom (ENA) observations by the Interstellar Boundary EXplorer, the purpose of this paper is to illustrate the complex coupling between PUIs across the heliopause (HP) as facilitated by ENAs using estimates of PUI properties extracted from a 3D MHD simulation of the SW-LISM interaction with kinetic neutrals. First, we improve upon the multi-component treatment of the inner heliosheath (IHS) plasma from Zank et al. by including the extinction of PUIs through charge-exchange. We find a significant amount of energy is transferred away from hot, termination shock-processed PUIs into a colder, 'freshly injected' PUI population. Second, we extend the multi-component approach to estimate ENA flux from the outer heliosheath (OHS), formed from charge-exchange between interstellar hydrogen atoms and energetic PUIs. These PUIs are formed from ENAs in the IHS that crossed the HP and experienced charge-exchange. Our estimates, based on plasma-neutral simulations of the SW-LISM interaction and a post-processing analysis of ENAs and PUIs, suggest the majority of flux visible at 1 AU from the front of the heliosphere, between ∼0.02 and 10 keV, originates from OHS PUIs, indicating strong coupling between the IHS and OHS plasmas through charge-exchange.

  18. Charge-exchange Coupling between Pickup Ions across the Heliopause and its Effect on Energetic Neutral Hydrogen Flux

    NASA Astrophysics Data System (ADS)

    Zirnstein, E. J.; Heerikhuisen, J.; Zank, G. P.; Pogorelov, N. V.; McComas, D. J.; Desai, M. I.

    2014-03-01

    Pickup ions (PUIs) appear to play an integral role in the multi-component nature of the plasma in the interaction between the solar wind (SW) and local interstellar medium (LISM). Three-dimensional (3D) MHD simulations with a kinetic treatment for neutrals and PUIs are currently still not viable. In light of recent energetic neutral atom (ENA) observations by the Interstellar Boundary EXplorer, the purpose of this paper is to illustrate the complex coupling between PUIs across the heliopause (HP) as facilitated by ENAs using estimates of PUI properties extracted from a 3D MHD simulation of the SW-LISM interaction with kinetic neutrals. First, we improve upon the multi-component treatment of the inner heliosheath (IHS) plasma from Zank et al. by including the extinction of PUIs through charge-exchange. We find a significant amount of energy is transferred away from hot, termination shock-processed PUIs into a colder, "freshly injected" PUI population. Second, we extend the multi-component approach to estimate ENA flux from the outer heliosheath (OHS), formed from charge-exchange between interstellar hydrogen atoms and energetic PUIs. These PUIs are formed from ENAs in the IHS that crossed the HP and experienced charge-exchange. Our estimates, based on plasma-neutral simulations of the SW-LISM interaction and a post-processing analysis of ENAs and PUIs, suggest the majority of flux visible at 1 AU from the front of the heliosphere, between ~0.02 and 10 keV, originates from OHS PUIs, indicating strong coupling between the IHS and OHS plasmas through charge-exchange.

  19. ATOMIC AND MOLECULAR PHYSICS: Population Swap of a Pair of Quantum Dots Coupling to a Plasmonic Nanocavity

    NASA Astrophysics Data System (ADS)

    Li, Jian-Bo; Cheng, Mu-Tian; Yang, Zhong-Jian; Hao, Zhong-Hua

    2009-11-01

    We theoretically design a single-mode plasmonic ring nanocavity. Based on the plasmonic cavity, the exciton dynamics between two identical quantum dots (QD-p, QD-q) coupled to the nanocavity are investigated. It is shown that the coupling factors gi (i = p, q) between QD-i and surface plasmons are both equal to 12.53meV in our model and exciton population swap between the two QDs can be realized. The periods and amplitudes of population oscillations can be modified by the coupling factors. Our results may have potential applications in quantum information and quantum computation on a chip.

  20. Spin spring behavior in exchange coupled soft and high-coercivity hard ferromagnets.

    SciTech Connect

    Shull, R. D.; Shapiro, A. J.; Gornakov, V. S.; Nikitenko, V. I.; Jiang, J. S.; Kaper, H.; Leaf, G.; Bader, S. D.

    2000-11-01

    The magnetization reversal processes in an epitaxial Fe/Sm{sub 2}Co{sub 7} structure were investigated using the magneto-optical indicator film technique. The dependence of the magnitude and the orientation of the structure average magnetization have been studied on both cycling and rotating the external magnetic field. It was discovered that the magnetization reversal of the soft ferromagnet can proceed by formation of not only one-dimensional, but also two-dimensional, exchange spin springs. Experimental data is compared with a theoretical estimation of the rotational hysteresis loop for a spin system containing a one-dimensional exchange spring.

  1. Microstructure, magnetic properties and exchange-coupling interactions for one-dimensional hard/soft ferrite nanofibers

    SciTech Connect

    Song Fuzhan; Shen Xiangqian; Liu Mingquan; Xiang Jun

    2012-01-15

    SrFe{sub 12}O{sub 19} (SFO)/Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} (NZFO) composite ferrite nanofibers with diameters about 120 nm have been prepared by the electrospinning and calcination process. The SFO/NZFO composite ferrites are formed after calcined at 700 Degree-Sign C for 2 h and the composite nanofibers with various mass ratios obtained at 900 Degree-Sign C are fabricated from NZFO grains about 16-40 nm and SFO grains of 19-45 nm with a uniform phase distribution. With the SFO ferrite content increasing, the coercivity (H{sub c}) and remanence (M{sub r}) for the composite ferrite nanofibers initially increase, reaching maximum values of 379.8 kA/m (297 K) and 242.2 kA/m (77 K), 39.1 Am{sup 2}/kg (297 K) and 53.5 Am{sup 2}/kg (77 K), respectively, at a mass ratio (SFO:NZFO) of 4, and then show a reduction tendency with a further increase of the mass ratio. This enhancement in magnetic properties is attributed to the competition of the exchange-coupling interaction and the dipolar interaction in the composite nanofibers. - Graphical abstract: SrFe{sub 12}O{sub 19} (SFO)/Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} (NZFO) composite ferrite nanofibers with a uniform phase distribution show competition of the exchange-coupling interaction and the dipolar interaction in the composite nanofibers. Highlights: Black-Right-Pointing-Pointer Composite ferrite nanofibers have been prepared by the electrospinning. Black-Right-Pointing-Pointer Magnetic exchange-coupling interaction for these nanofibers were analyzed. Black-Right-Pointing-Pointer Nanofibers magnetic properties measured at 297 K and 77 K were discussed.

  2. Analysis of nucleic acids by capillary ion-pair reversed-phase HPLC coupled to negative-ion electrospray ionization mass spectrometry.

    PubMed

    Huber, C G; Krajete, A

    1999-09-01

    Ion-pair reversed-phase high-performance liquid chromatography was successfully coupled to negative-ion electrospray ionization mass spectrometry by using 60 × 0.20 mm i.d. capillary columns packed with 2.3-μm micropellicular, octadecylated poly(styrene/divinylbenzene) particles as stationary phase and gradients of acetonitrile in 50 mM aqueous triethylammonium bicarbonate as mobile phase. Systematic variation of the eluent composition, such as concentration of ion-pair reagent, anion in the ion-pair reagent, solution pH, and acetonitrile concentration led to the conclusion that most parameters have opposite effects on chromatographic and mass spectrometric performances. The use of acetonitrile as sheath liquid enabled the rapid and highly efficient separation and detection of phosphorylated and nonphosphorylated oligonucleotides ranging in size from 8 to 40 nucleotides. High-quality full-scan mass spectra showing little cation adduction were acquired from which the molecular masses of the separated oligonucleotides were calculated with an accuracy of 0.011%. With calibration curves being linear over at least 2 orders of magnitude, the lower limits of detection for a oligodeoxythymidine 16-mer were 104 fmol with full scan and 710 amol with selected-ion-monitoring data acquisition. The potential of ion-pair reversed-phase high-performance liquid chromatography-electrospray ionization mass spectrometry was demonstrated for mixed-sequence oligomers by the characterization of a reaction mixture from solid-phase synthesis of a 40-mer oligonucleotide.

  3. Rogue-pair and dark-bright-rogue waves of the coupled nonlinear Schrödinger equations from inhomogeneous femtosecond optical fibers.

    PubMed

    Yomba, Emmanuel; Zakeri, Gholam-Ali

    2016-08-01

    The coupled inhomogeneous Schrödinger equations with a wide range of applications describing a field of pluses with the right and the left polarizations that take into account cross-phase modulations, stimulated Ramani scattering, and absorption effects are investigated. A combination of several different approaches is used in a novel way to obtain the explicit expressions for the rogue-pair and dark-bright-rogue waves. We study the dynamics of these structurally stable rogues and analyze the effects of a parameter that controls the region of stability that intrinsically connects the cross-phase modulation and other Kerr nonlinearity factors. The effects of the right and left polarizations on the shape of the rogue-pair and other solitary rogue waves are graphically analyzed. These rogue-pair waves are studied on periodic and non-periodic settings. We observe that rogue-pair wave from the right and left polarizations has a similar structure while the dark-bright-rogue waves have quite different intensity profiles. PMID:27586611

  4. Rogue-pair and dark-bright-rogue waves of the coupled nonlinear Schrödinger equations from inhomogeneous femtosecond optical fibers

    NASA Astrophysics Data System (ADS)

    Yomba, Emmanuel; Zakeri, Gholam-Ali

    2016-08-01

    The coupled inhomogeneous Schrödinger equations with a wide range of applications describing a field of pluses with the right and the left polarizations that take into account cross-phase modulations, stimulated Ramani scattering, and absorption effects are investigated. A combination of several different approaches is used in a novel way to obtain the explicit expressions for the rogue-pair and dark-bright-rogue waves. We study the dynamics of these structurally stable rogues and analyze the effects of a parameter that controls the region of stability that intrinsically connects the cross-phase modulation and other Kerr nonlinearity factors. The effects of the right and left polarizations on the shape of the rogue-pair and other solitary rogue waves are graphically analyzed. These rogue-pair waves are studied on periodic and non-periodic settings. We observe that rogue-pair wave from the right and left polarizations has a similar structure while the dark-bright-rogue waves have quite different intensity profiles.

  5. Stacked Micro Heat Exchange System for Optimized Thermal Coupling of MicroTEGs

    NASA Astrophysics Data System (ADS)

    Wojtas, N.; Grab, M.; Glatz, W.; Hierold, C.

    2013-07-01

    This study presents modeling and experimental results of micro thermoelectric generators (μTEGs) integrated into a multilayer micro heat exchange system. The multilayer configuration benefits from low heat transfer resistances at small fluid flow rates and at the same time from low required pumping powers. The compact stacked power device allows for high net output power per volume, and therefore a reduction in size, weight, and cost compared with conventional large-scale heat exchangers. The influence of the boundary conditions and the system design parameters on the net output power of the micro heat exchange system was investigated by simulation. The theoretical results showed a major impact of the microchannel dimensions and the μTEG thickness on the overall output performance of the system. By adapting the applied fluid flow rate, the system's net power output can be maximized for varying operating temperatures. Experimental measurements of the cross-flow micro heat exchange system were in good agreement with the performed simulations. A net μTEG output power of 62.9 mW/cm2 was measured for a double-layer system at an applied water inlet temperature difference of 60 K with a Bi2Te3 μTEG ( ZT of 0.12), resulting in a net volumetric efficiency factor of 37.2 W/m3/K2.

  6. Correlation between charge transfer and exchange coupling in carbon-based magnetic materials

    SciTech Connect

    Nguyen, Anh Tuan; Nguyen, Van Thanh; Nguyen, Huy Sinh; Pham, Thi Tuan Anh; Do, Viet Thang; Dam, Hieu Chi

    2015-10-15

    Several forms of carbon-based magnetic materials, i.e. single radicals, radical dimers, and alternating stacks of radicals and diamagnetic molecules, have been investigated using density-functional theory with dispersion correction and full geometry optimization. Our calculated results demonstrate that the C{sub 31}H{sub 15} (R{sub 4}) radical has a spin of ½. However, in its [R{sub 4}]{sub 2} dimer structure, the net spin becomes zero due to antiferromagnetic spin-exchange between radicals. To avoid antiferromagnetic spin-exchange of identical face-to-face radicals, eight alternating stacks, R{sub 4}/D{sub 2m}/R{sub 4} (with m = 3-10), were designed. Our calculated results show that charge transfer (Δn) between R{sub 4} radicals and the diamagnetic molecule D{sub 2m} occurs with a mechanism of spin exchange (J) in stacks. The more electrons that transfer from R{sub 4} to D{sub 2m}, the stronger the ferromagnetic spin-exchange in stacks. In addition, our calculated results show that Δn can be tailored by adjusting the electron affinity (E{sub a}) of D{sub 2m}. The correlation between Δn, E{sub a}, m, and J is discussed. These results give some hints for the design of new ferromagnetic carbon-based materials.

  7. Interplay of Rashba and sp-d exchange couplings in magnetic 2DEGs

    NASA Astrophysics Data System (ADS)

    Mireles, Francisco; Freire, Henrique H. P.; Egues, J. Carlos

    2006-03-01

    In diluted magnetic semiconductor (DMS) quantum wells the sp-d exchange interaction between the itinerant conduction electrons in the well and the localized electrons in the d orbitals of the Mn impurities gives rise to interesting spin-dependent physics [1]. Recently, the interplay of the Rashba spin-orbit and the sp-d exchange interactions in Mn-based wells has been recognized via Shubnikov-de-Haas measurements [2]. While the Rashba spin-orbit has been extensively studied in non-magnetic 2DEGs, its role in DMS systems with a competing sp-d exchange interaction has not yet been addressed theoretically. In this work we present a k.p derivation of an effective Hamiltonian for a Mn-based quantum well with competing Rashba and sp-d interactions, and show numerical results for the magnetoresistance ρxx of typical magnetic 2DEGs using our effective Hamiltonian model. Our results shows interesting beating patterns of the ρxx as a function of the temperature and carrier density which suggests a significant interplay between the spin-orbit and sp-d exchange interactions, as a recent experiment observes [2]. [1] J. C. Egues, PRL 78, 4578 (1998); H. J. P. Freire and J. C. Egues, cond-mat/0412491. [2] Y. S. Gui et al. EPL. 65, 393 (2004).

  8. On the stability analysis of a pair of van der Pol oscillators with delayed self-connection, position and velocity couplings

    SciTech Connect

    Hu, Kun; Chung, Kwok-wai

    2013-11-15

    In this paper, we perform a stability analysis of a pair of van der Pol oscillators with delayed self-connection, position and velocity couplings. Bifurcation diagram of the damping, position and velocity coupling strengths is constructed, which gives insight into how stability boundary curves come into existence and how these curves evolve from small closed loops into open-ended curves. The van der Pol oscillator has been considered by many researchers as the nodes for various networks. It is inherently unstable at the zero equilibrium. Stability control of a network is always an important problem. Currently, the stabilization of the zero equilibrium of a pair of van der Pol oscillators can be achieved only for small damping strength by using delayed velocity coupling. An interesting question arises naturally: can the zero equilibrium be stabilized for an arbitrarily large value of the damping strength? We prove that it can be. In addition, a simple condition is given on how to choose the feedback parameters to achieve such goal. We further investigate how the in-phase mode or the out-of-phase mode of a periodic solution is related to the stability boundary curve that it emerges from a Hopf bifurcation. Analytical expression of a periodic solution is derived using an integration method. Some illustrative examples show that the theoretical prediction and numerical simulation are in good agreement.

  9. Holographic Screening Length on Parallel Motion of Quark-Antiquark Pair in Four Dimensional Strongly Coupled = 4 super-Yang-Mills plasma

    NASA Astrophysics Data System (ADS)

    Nata Atmaja, Ardian

    2014-10-01

    We study the screening length of a quark-antiquark pair moving in a strongly coupled hot plasma of = 4 super-Yang-Mills using AdS/CFT correspondence where the background metric is five dimensional AdS black hole. We take the string solution as such the separation length L of quark-antiquark pair is parallel to the string velocity v. The screening length and the bound energy are computed numerically using Mathematica. We find that the plots are bounded from below by some functions that are related to the momentum flow of the drag force configuration Pc. We compare the result by computing the screening length in the quark-antiquark reference frame by boosting the AdS black hole.

  10. Ion-pairing ability, chemical stability, and selectivity behavior of halogenated dodecacarborane cation exchangers in neutral carrier-based ion-selective electrodes.

    PubMed

    Peper, Shane; Qin, Yu; Almond, Philip; McKee, Michael; Telting-Diaz, Martin; Albrecht-Schmitt, Thomas; Bakker, Eric

    2003-05-01

    Recently, it has been discovered that carba-closo-dodecaborates can be used as cation exchangers in neutral carrier-based ion-selective chemical sensors. Because of their inherent chemical stability and versatile functionalization chemistries, they offer many advantages that may potentially be exploited for ion analyses that require nontraditional sample conditions, including strongly acidic media. In this work, trimethylammonium salts of undecachlorinated (UCC), undecabrominated (UBC), hexabrominated (HBC), and undecaiodinated (UIC) carborane anions were prepared and evaluated for their potential use in solvent polymeric membrane-based sensors. Computational methods including Natural population analysis and electrostatic mapping were used to predict the ion-exchanging ability of each lipophilic anion. In addition, the sandwich membrane technique was used to evaluate the ion-pairing ability of each carborane anion in situ (i.e., within bis(2-ethylhexyl) sebacate (DOS)- and 2-nitrophenyl octyl ether (o-NPOE)-plasticized ISE membranes). The results of the computational and potentiometric studies found that binding affinity of the anions followed the generalized trend HBC > UCC > UBC > UIC. PVC-DOS bulk optode thin films containing the chromoionophore ETH 5315 and a respective anion were used to determine the chemical stability/lipophilicity of the carboranes and tetrakis[3,5-bis(trifluoromethyl)phenyl] borate (TFPB) in acidic media (0.2 M HOAc) under flowing conditions. The studies found that in terms of stability/lipophilicity UIC > UBC > TFPB approximately UCC > HBC. Electrodes containing a Pb(2+)-selective ionophore, tert-butylcalix[4]arene-tetrakis(N,N-dimethylthioacetamide)(lead IV), were used to evaluate the functionality of each cation exchanger. An evaluation of response characteristics such as slope and selectivity found that UIC and UBC were quite comparable to the behavior of TFPB. Interestingly, both UIC and UBC showed a marked selectivity improvement

  11. Experimental determination of next-nearest-neighbor interlayer exchange coupling in ferromagnetic GaMnAs/GaAs:Be multilayers

    SciTech Connect

    Lee, Hakjoon; Bac, Seul-Ki; Lee, Sangyeop; Choi, Seonghoon; Yoo, Taehee; Lee, Sanghoon; Liu, Xinyu; Furdyna, Jacek K.

    2015-11-09

    We report direct experimental determination of next-nearest-neighbor (NNN) interlayer exchange coupling (IEC) in antiferromagnetically coupled GaMnAs/GaAs:Be multilayers. Magnetoresistance in such multilayers shows step-like transitions as a function of applied magnetic field that corresponds to abrupt changes of spin configuration. By adjusting the field range, one obtains minor hysteresis loops that allow one to determine spin configurations occurring in the multilayer, which in turn can be used to obtain the ratio of NNN IEC to NN IEC. By using this method on a series of GaMnAs/GaAs:Be with different numbers of GaMnAs layers, we obtain this ratio to be 0.23, in good agreement with theoretical predictions.

  12. Evaluation of a Fin and Tube Type Adsorber/Desorber Heat Exchanger using =ACF/C2H5OH Pair

    NASA Astrophysics Data System (ADS)

    Kariya, Keishi; Makimoto, Naoya; Kuwahara, Ken; Koyama, Shigeru

    This study deals with the experiment to clarify the characteristics of adsorption refrigeration system employing activated carbon fiber (ACF) and ethanol pair and to evaluate the performance of adsorber/desorber heat exchanger defined by two kind of index to the system performance. The experiments are carried out by varying system running parameters such as regeneration temperature for adsorber, ethanol temperature in the evaporator, pre-heating/cooling cycle time, adsorption/desorption cycle time. Regeneration temperature for adsorber is from 60 to 90 °C and ethanol temperature is from 0 to 20 °C and pre-heating/cooling cycle time is 60 and 120 second and adsorption/desorption cycle time is from 120 to 300 second. Results show that the system can be operated with regeneration temperature of 60 °C and the system performance improves with increase of ethanol temperature. It is also found that the system performance is affected by regeneration temperature for adsorber and the pre-heating/cooling cycle time and adsorption/desorption cycle time.

  13. In situ ion exchange synthesis of strongly coupled Ag@AgCl/g-C₃N₄ porous nanosheets as plasmonic photocatalyst for highly efficient visible-light photocatalysis.

    PubMed

    Zhang, Shouwei; Li, Jiaxing; Wang, Xiangke; Huang, Yongshun; Zeng, Meiyi; Xu, Jinzhang

    2014-12-24

    A novel efficient Ag@AgCl/g-C3N4 plasmonic photocatalyst was synthesized by a rational in situ ion exchange approach between exfoliated g-C3N4 nanosheets with porous 2D morphology and AgNO3. The as-prepared Ag@AgCl-9/g-C3N4 plasmonic photocatalyst exhibited excellent photocatalytic performance under visible light irradiation for rhodamine B degradation with a rate constant of 0.1954 min(-1), which is ∼41.6 and ∼16.8 times higher than those of the g-C3N4 (∼0.0047 min(-1)) and Ag/AgCl (∼0.0116 min(-1)), respectively. The degradation of methylene blue, methyl orange, and colorless phenol further confirmed the broad spectrum photocatalytic degradation abilities of Ag@AgCl-9/g-C3N4. These results suggested that an integration of the synergetic effect of suitable size plasmonic Ag@AgCl and strong coupling effect between the Ag@AgCl nanoparticles and the exfoliated porous g-C3N4 nanosheets was superior for visible-light-responsive and fast separation of photogenerated electron-hole pairs, thus significantly improving the photocatalytic efficiency. This work may provide a novel concept for the rational design of stable and high performance g-C3N4-based plasmonic photocatalysts for unique photochemical reaction.

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

    SciTech Connect

    Morozov, Vitaly A.; Petrova, Marina V.; Lukzen, Nikita N.

    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.

  15. Domain-wall velocities of up to 750 m s-1 driven by exchange-coupling torque in synthetic antiferromagnets

    NASA Astrophysics Data System (ADS)

    Yang, See-Hun; Ryu, Kwang-Su; Parkin, Stuart

    2015-03-01

    The operation of racetrack memories is based on the motion of domain walls in atomically thin, perpendicularly magnetized nanowires, which are interfaced with adjacent metal layers with high spin-orbit coupling. Such domain walls have a chiral Néel structure and can be moved efficiently by electrical currents. High-capacity racetrack memory requires closely packed domain walls, but their density is limited by dipolar coupling from their fringing magnetic fields. These fields can be eliminated using a synthetic antiferromagnetic structure composed of two magnetic sub-layers, exchange-coupled via an ultrathin antiferromagnetic-coupling spacer layer. Here, we show that nanosecond-long current pulses can move domain walls in synthetic antiferromagnetic racetracks that have almost zero net magnetization. The domain walls can be moved even more efficiently and at much higher speeds (up to ˜750 m s-1) compared with similar racetracks in which the sub-layers are coupled ferromagnetically. This is due to a stabilization of the Néel domain wall structure, and an exchange coupling torque that is directly proportional to the strength of the antiferromagnetic exchange coupling between the two sub-layers. Moreover, the dependence of the wall velocity on the magnetic field applied along the nanowire is distinct from that of the single-layer racetrack due to the exchange coupling torque. The high domain wall velocities in racetracks that have no net magnetization allow for densely packed yet highly efficient domain-wall-based spintronics.

  16. Comparative analyses of phase noise in 28 nm CMOS LC oscillator circuit topologies: Hartley, Colpitts, and common-source cross-coupled differential pair.

    PubMed

    Chlis, Ilias; Pepe, Domenico; Zito, Domenico

    2014-01-01

    This paper reports comparative analyses of phase noise in Hartley, Colpitts, and common-source cross-coupled differential pair LC oscillator topologies in 28 nm CMOS technology. The impulse sensitivity function is used to carry out both qualitative and quantitative analyses of the phase noise exhibited by each circuit component in each circuit topology with oscillation frequency ranging from 1 to 100 GHz. The comparative analyses show the existence of four distinct frequency regions in which the three oscillator topologies rank unevenly in terms of best phase noise performance, due to the combined effects of device noise and circuit node sensitivity.

  17. Determination of aminopolycarboxylic acids at ultra-trace levels by means of online coupling ion exchange chromatography and inductively coupled plasma-mass spectrometry with indirect detection via their Pd²⁺-complexes.

    PubMed

    Nette, David; Seubert, Andreas

    2015-07-16

    A new indirect IC-ICP-MS method for the determination of aminopolycarboxylic acids in water samples is described. It is based on the addition of an excess of Pd(II) to water samples. The analytes are forced into very strong and negatively charged palladium complexes, separated by ion exchange chromatography and detected by their palladium content, utilizing an on-line coupled ICP-MS. This method is suitable to determine the concentration of 8 aminopolycarboxylic acids (nitrilotriacetic acid (NTA), (2-carboxyethyl) iminodiacetic acid (β-ADA), methylglycinediacetic acid (MGDA), 2-hydroxyethyl) ethylenediamine triacetic acid (HEDTA), diethylene triamine pentaacetic acid (DTPA), ethylendiamine tetraacetic acid (EDTA), 1,3-diaminopropane tetraacetic acid (1,3-PDTA) and 1,2-diaminopropane tetraacetic acid (1,2-PDTA) at the ng kg(-1) level. The method is faster and easier than the established gas chromatography (GC)-method ISO 16588:2002 and up to two orders of magnitude more sensitive than the ion pair chromatography based method of DIN 38413-8. Analytic performance is superior to ISO 16588:2002 and the comparability is good. PMID:26073818

  18. Determining the anisotropic exchange coupling of CrO2 via first-principles density functional theory calculations

    NASA Astrophysics Data System (ADS)

    Sims, H.; Oset, S. J.; Butler, W. H.; MacLaren, James M.; Marsman, Martijn

    2010-06-01

    We report a study of the anisotropic exchange interactions in bulk CrO2 calculated from first principles within density functional theory (DFT) [W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965)10.1103/PhysRev.140.A1133]. We determine the exchange coupling energies, using both the experimental lattice parameters and those obtained within DFT, within a modified Heisenberg model Hamiltonian in two ways. We employ a supercell method in which certain spins within a cell are rotated and the energy dependence is calculated and a spin-spiral method that modifies the periodic boundary conditions of the problem to allow for an overall rotation of the spins between unit cells. Using the results from each of these methods, we calculate the spin-wave stiffness constant D from the exchange energies using the magnon dispersion relation. We employ a Monte Carlo method to determine the DFT-predicted Curie temperature from these calculated energies and compare with accepted values. Finally, we offer an evaluation of the accuracy of the DFT-based methods and suggest implications of the competing ferromagnetic and antiferromagnetic interactions.

  19. Biosynthesis of Cd-bound phytochelatins by Phaeodactylum tricornutum and their speciation by size-exclusion chromatography and ion-pair chromatography coupled to ICP-MS.

    PubMed

    Loreti, Valeria; Toncelli, Daniel; Morelli, Elisabetta; Scarano, Gioacchino; Bettmer, Jörg

    2005-10-01

    Cd-bound phytochelatins (Cd-PCs) have been synthesised by incubation of Phaeodactylum tricornutum cell cultures with Cd and purified by size-exclusion chromatography-UV-Vis. These complexes, which were identified in previous work, have now been used as model substances to develop and optimise ion-pair chromatography (IPC) coupled to inductively coupled plasma-mass spectrometry (ICP-MS) for analysis of Cd-PCs. Subsequent analysis of samples taken from Silene vulgaris plants cultivated under heavy metal stress conditions revealed Cd signals but no Cd-PC signals. By use of isotopically enriched (116)Cd-PCs the sample preparation steps were verified to determine the stability of the analytes. We observed species transformation between Cd-PCs and other unidentified Cd complexes. Consequently, the kinetic and thermodynamic lability of Cd-PCs are decisive factors in their detection.

  20. Preliminary Design of a SP-100/Stirling Radiatively Coupled Heat Exchanger

    NASA Technical Reports Server (NTRS)

    Schmitz, Paul; Tower, Leonard; Dawson, Ronald; Blue, Brian; Dunn, Pat

    1995-01-01

    Several methods for coupling the SP-100 space nuclear reactor to the NASA Lewis Research Center's Free Piston Stirling Power Convertor (FPSPC) are presented. A 25 kWe, dual opposed Stirling convertor configuration is used in these designs. The concepts use radiative coupling between the SP-100 lithium loop and the sodium heat pipe of the Stirling convertor to transfer the heat from the reactor to the convertor. Four separate configurations are presented. Masses for the four designs vary from 41 to 176 kgs. Each design's structure, heat transfer characteristics, and heat pipe performance are analytically modeled.

  1. Dislocation network with pair-coupling structure in {111} γ/γ‧ interface of Ni-based single crystal superalloy

    NASA Astrophysics Data System (ADS)

    Ru, Yi; Li, Shusuo; Zhou, Jian; Pei, Yanling; Wang, Hui; Gong, Shengkai; Xu, Huibin

    2016-08-01

    The γ/γ‧ interface dislocation network is reported to improve the high temperature creep resistance of single crystal superalloys and is usually found to deposit in {001} interface. In this work, a new type of dislocation network was found in {111} γ/γ‧ interface at a single crystal model superalloy crept at 1100 °C/100 MPa. The dislocations in the network are screw with Burgers vectors of 1/2 a<110> and most interestingly, they exhibit a pair-coupling structure. Further investigation indicates that the formation of {111} interface dislocation network occurs when the γ‧ raft structure begins to degrade by the dislocations cutting into the rafted γ‧ through the interface. In this condition, the pair-coupling structure is established by the dislocations gliding in a single {111} plane of γ‧, in order to remove the anti-phase boundary in γ‧ these dislocations also act as diffusion channels for dissolving of the γ‧ particle that is unstable under the interfacial stress from lattice misfit, which leads to the formation of {111}-type zigzag interface. The formation of this network arises as a consequence of more negative misfit, low-alloying γ‧ particle and proper test conditions of temperature and stress.

  2. Dislocation network with pair-coupling structure in {111} γ/γ′ interface of Ni-based single crystal superalloy

    PubMed Central

    Ru, Yi; Li, Shusuo; Zhou, Jian; Pei, Yanling; Wang, Hui; Gong, Shengkai; Xu, Huibin

    2016-01-01

    The γ/γ′ interface dislocation network is reported to improve the high temperature creep resistance of single crystal superalloys and is usually found to deposit in {001} interface. In this work, a new type of dislocation network was found in {111} γ/γ′ interface at a single crystal model superalloy crept at 1100 °C/100 MPa. The dislocations in the network are screw with Burgers vectors of 1/2 a<110> and most interestingly, they exhibit a pair-coupling structure. Further investigation indicates that the formation of {111} interface dislocation network occurs when the γ′ raft structure begins to degrade by the dislocations cutting into the rafted γ′ through the interface. In this condition, the pair-coupling structure is established by the dislocations gliding in a single {111} plane of γ′, in order to remove the anti-phase boundary in γ′; these dislocations also act as diffusion channels for dissolving of the γ′ particle that is unstable under the interfacial stress from lattice misfit, which leads to the formation of {111}-type zigzag interface. The formation of this network arises as a consequence of more negative misfit, low-alloying γ′ particle and proper test conditions of temperature and stress. PMID:27511822

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

    USGS Publications Warehouse

    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.

  4. The role of the (111) texture on the exchange bias and interlayer coupling effects observed in sputtered NiFe/IrMn/Co trilayers

    SciTech Connect

    Castro, I. L.; Nascimento, V. P.; Passamani, E. C.; Takeuchi, A. Y.; Larica, C.; Tafur, M.; Pelegrini, F.

    2013-05-28

    Magnetic properties of sputtered NiFe/IrMn/Co trilayers grown on different seed layers (Cu or Ta) deposited on Si (100) substrates were investigated by magnetometry and ferromagnetic resonance measurements. Exchange bias effect and magnetic spring behavior have been studied by changing the IrMn thickness. As shown by X-ray diffraction, Ta and Cu seed layers provoke different degrees of (111) fcc-texture that directly affect the exchange bias and indirectly modify the exchange spring coupling behavior. Increasing the IrMn thickness, it was observed that the coupling angle between the Co and NiFe ferromagnetic layers increases for the Cu seed system, but it reduces for the Ta case. The results were explained considering (i) different anisotropies of the Co and IrMn layers induced by the different degree of the (111) texture and (ii) the distinct exchange bias set at the NiFe/IrMn and IrMn/Co interfaces in both systems. The NiFe and Co interlayer coupling angle is strongly correlated with both exchange bias and exchange magnetic spring phenomena. It was also shown that the highest exchange bias field occurs when an unstressed L1{sub 2} IrMn structure is stabilized.

  5. Exchange-coupled fct-FePd/α-Fe nanocomposite magnets converted from Pd/Fe3O4 core/shell nanoparticles.

    PubMed

    Liu, Fei; Dong, Yunhe; Yang, Wenlong; Yu, Jing; Xu, Zhichuan; Hou, Yanglong

    2014-11-10

    We report the controlled synthesis of exchange-coupled face-centered tetragonal (fct) FePd/α-Fe nanocomposite magnets with variable Fe concentration. The composite was converted from Pd/Fe3O4 core/shell nanoparticles through a high-temperature annealing process in a reducing atmosphere. The shell thickness of core/shell Pd/Fe3O4 nanoparticles could be readily tuned, and subsequently the concentration of Fe in nanocomposite magnets was controlled. Upon annealing reduction, the hard magnetic fct-FePd phase was formed by the interdiffusion between reduced α-Fe and face-centered cubic (fcc) Pd, whereas the excessive α-Fe remained around the fct-FePd grains, realizing exchange coupling between the soft magnetic α-Fe and hard magnetic fct-FePd phases. Magnetic measurements showed variation in the magnetic properties of the nanocomposite magnets with different compositions, indicating distinct exchange coupling at the interfaces. The coercivity of the exchange-coupled nanocomposites could be tuned from 0.7 to 2.8 kOe and the saturation magnetization could be controlled from 93 to 160 emu g(-1). This work provides a bottom-up approach using exchange-coupled nanocomposites for engineering advanced permanent magnets with controllable magnetic properties.

  6. Competition between spin-orbit interaction and exchange coupling within a honeycomb lattice ribbon

    NASA Astrophysics Data System (ADS)

    Su, Yu-Hsin; Chen, Son-Hsien; Hu, C. D.; Chang, Ching-Ray

    2016-01-01

    Spin density patterns of a pinned magnetic impurity that is embedded in a honeycomb lattice with zigzag edges are investigated by employing a mean-field assisted Landauer-Keldysh formalism. Both the intrinsic spin-orbit coupling and the extrinsic localized magnetic moments are considered, and the effects of the pinning directions and the species of the sublattice on the electron spins are analyzed. A local time-reversal symmetry breaking cannot destroy the equilibrium edge-state spin accumulation that is induced by intrinsic spin-orbit coupling when the pinning field lies in the plane of the ribbon and the embedding position is the A-site at the edge. The induced local spin can be either parallel or antiparallel to the localized impurity moment, depending on the location of the pinned impurity, because itinerant electrons are found only at the B-site of the edge, but not at the A-site.

  7. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

    NASA Astrophysics Data System (ADS)

    Riplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F.; Neese, Frank

    2016-01-01

    Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate previous

  8. Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory.

    PubMed

    Riplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F; Neese, Frank

    2016-01-14

    Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate

  9. Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory.

    PubMed

    Riplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F; Neese, Frank

    2016-01-14

    Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate

  10. Nutritional stress induces exchange of cell material and energetic coupling between bacterial species.

    PubMed

    Benomar, Saida; Ranava, David; Cárdenas, María Luz; Trably, Eric; Rafrafi, Yan; Ducret, Adrien; Hamelin, Jérôme; Lojou, Elisabeth; Steyer, Jean-Philippe; Giudici-Orticoni, Marie-Thérèse

    2015-02-23

    Knowledge of the behaviour of bacterial communities is crucial for understanding biogeochemical cycles and developing environmental biotechnology. Here we demonstrate the formation of an artificial consortium between two anaerobic bacteria, Clostridium acetobutylicum (Gram-positive) and Desulfovibrio vulgaris Hildenborough (Gram-negative, sulfate-reducing) in which physical interactions between the two partners induce emergent properties. Molecular and cellular approaches show that tight cell-cell interactions are associated with an exchange of molecules, including proteins, which allows the growth of one partner (D. vulgaris) in spite of the shortage of nutrients. This physical interaction induces changes in expression of two genes encoding enzymes at the pyruvate crossroads, with concomitant changes in the distribution of metabolic fluxes, and allows a substantial increase in hydrogen production without requiring genetic engineering. The stress induced by the shortage of nutrients of D. vulgaris appears to trigger the interaction.

  11. Exchange coupled SrFe12O19/Fe-Co core/shell particles with different shell thickness

    NASA Astrophysics Data System (ADS)

    Xu, Xia; Hong, Yang-Ki; Park, Jihoon; Lee, Woncheol; Lane, Alan M.

    2015-11-01

    SrFe12O19/Fe-Co core/shell particles with different shell thickness were synthesized by polyol reduction of Fe and Co ions at 180°C with SrFe12O19 particles dispersed in solvent. The core/shell structure is formed by magnetic self-assembly due to the remanent magnetization of SrFe12O19 particles. Within a limited concentration range, the shell thickness could be controlled by regulating the concentration of Fe and Co ions. Core/shell structured SrFe12O19/Fe-Co particles showed more effective exchange coupling effects between hard and soft phases than physically mixed SrFe12O19 and Fe-Co particles. [Figure not available: see fulltext.

  12. Effect of adatom deposition on surface magnetism and exchange coupling parameter in (0001) SmCo{sub 5} slabs

    SciTech Connect

    Selva Chandrasekaran, S.; Murugan, P.; Saravanan, P.; Kamat, S. V.

    2015-04-07

    First principles calculations are performed on 3d-transition metal atom deposited (0001) surface of SmCo{sub 5} to understand the magnetic properties and the improvement of Curie temperature (T{sub c}). Various atomic sites are examined to identify the energetically feasible adsorption of adatom and it is found that the void site of Co-rich (0001) SmCo{sub 5} surface is the most favourable one to deposit. The surface magnetic moments of various adatom deposited SmCo{sub 5} surfaces are larger than the clean surface except for Cu and Zn. Eventually, the surface exchange coupling of clean and adatom deposited surface is found to increase for Mn, Fe, Co, Ni, and Cu deposited surfaces and this improvement results in the increase in T{sub c} of SmCo{sub 5} slab.

  13. Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of (31)P lone pairs.

    PubMed

    Contreras, Rubén H; Gotelli, Gustavo; Ducati, Lucas C; Barbosa, Thais M; Tormena, Cláudio F

    2010-01-21

    In this work, a new approach to studying coupling pathways for the Fermi contact term of NMR spin-spin coupling constants (SSCCs) is presented. It is based on the known form of propagating the Fermi hole through a canonical molecular orbital (CMO). It requires having an adequate spatial description of the relevant canonical molecular orbitals, which are obtained by expanding CMOs in terms of natural bond orbitals (NBOs). For detecting the relevant contributions of CMOs to a given Fermi contact (FC) pathway, the description of the FC in terms of the triplet polarization propagator (PP) is used. To appreciate the potential of this approach, dubbed FCCP-CMO (Fermi contact coupling pathways-CMO), it is applied to analyze the through-space transmission of the FC term of J(PP) SSCCs by overlap of the P lone pairs. This method can be applied using well-known quantum chemistry software without any further modification, which makes it appealing for use as a complement to SSCC measurements by NMR spectroscopy.

  14. Electron-phonon coupling and exchange-correlation effects in superconducting H3S under high pressure

    NASA Astrophysics Data System (ADS)

    Komelj, Matej; Krakauer, Henry

    2015-11-01

    We investigate the H3S phase of sulfur hydride under high pressure ≃200 GPa by means of ab initio calculations within the framework of the density-functional theory with the PBE0 hybrid exchange-correlation (Exc) approximation. The choice of Exc has the largest effect on the calculated electron-phonon coupling (EPC) matrix elements; the high-pressure equation of state and phonon frequencies are only slightly modified. Mode-dependent EPC correction factors are determined from PBE0 using a frozen-phonon supercell approach, while standard density-functional perturbation theory is used to determine the EPC with PBE generalized-gradient approximation Exc. Our principle finding is that the calculated PBE 0 Tc is enhanced by 25% compared to PBE. This is similar in magnitude, but in opposite direction, to the proposed suppression of Tc by anharmonic effects [I. Errea et al., Phys. Rev. Lett. 114, 157004 (2015), 10.1103/PhysRevLett.114.157004]. Our calculations demonstrate the importance of considering exchange-correlation approximations for calculations of superconducting properties for this class of materials.

  15. Modified ion exchange separation for tungsten isotopic measurements from kimberlite samples using multi-collector inductively coupled plasma mass spectrometry.

    PubMed

    Sahoo, Yu Vin; Nakai, Shun'ichi; Ali, Arshad

    2006-03-01

    Tungsten isotope composition of a sample of deep-seated rock can record the influence of core-mantle interaction of the parent magma. Samples of kimberlite, which is known as a carrier of diamond, from the deep mantle might exhibit effects of core-mantle interaction. Although tungsten isotope anomaly was reported for kimberlites from South Africa, a subsequent investigation did not verify the anomaly. The magnesium-rich and calcium-rich chemical composition of kimberlite might engender difficulty during chemical separation of tungsten for isotope analyses. This paper presents a simple, one-step anion exchange technique for precise and accurate determination of tungsten isotopes in kimberlites using multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS). Large quantities of Ca and Mg in kimberlite samples were precipitated and removed with aqueous H(2)SO(4). Highly pure fractions of tungsten for isotopic measurements were obtained following an anion exchange chromatographic procedure involving mixed acids. That procedure enabled efficient removal of high field strength elements (HFSE), such as Hf, Zr and Ti, which are small ions that carry strong charges and develop intense electrostatic fields. The tungsten yields were 85%-95%. Advantages of this system include less time and less use of reagents. Precise and accurate isotopic measurements are possible using fractions of tungsten that are obtained using this method. The accuracy and precision of these measurements were confirmed using various silicate standard rock samples, JB-2, JB-3 and AGV-1.

  16. Modified ion exchange separation for tungsten isotopic measurements from kimberlite samples using multi-collector inductively coupled plasma mass spectrometry.

    PubMed

    Sahoo, Yu Vin; Nakai, Shun'ichi; Ali, Arshad

    2006-03-01

    Tungsten isotope composition of a sample of deep-seated rock can record the influence of core-mantle interaction of the parent magma. Samples of kimberlite, which is known as a carrier of diamond, from the deep mantle might exhibit effects of core-mantle interaction. Although tungsten isotope anomaly was reported for kimberlites from South Africa, a subsequent investigation did not verify the anomaly. The magnesium-rich and calcium-rich chemical composition of kimberlite might engender difficulty during chemical separation of tungsten for isotope analyses. This paper presents a simple, one-step anion exchange technique for precise and accurate determination of tungsten isotopes in kimberlites using multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS). Large quantities of Ca and Mg in kimberlite samples were precipitated and removed with aqueous H(2)SO(4). Highly pure fractions of tungsten for isotopic measurements were obtained following an anion exchange chromatographic procedure involving mixed acids. That procedure enabled efficient removal of high field strength elements (HFSE), such as Hf, Zr and Ti, which are small ions that carry strong charges and develop intense electrostatic fields. The tungsten yields were 85%-95%. Advantages of this system include less time and less use of reagents. Precise and accurate isotopic measurements are possible using fractions of tungsten that are obtained using this method. The accuracy and precision of these measurements were confirmed using various silicate standard rock samples, JB-2, JB-3 and AGV-1. PMID:16496054

  17. Parameterization of a coupled CO2 and H2O gas exchange model at the leaf scale of Populus euphratica

    NASA Astrophysics Data System (ADS)

    Zhu, G. F.; Li, X.; Su, Y. H.; Huang, C. L.

    2010-03-01

    The following two models were combined to simultaneously predict CO2 and H2O gas exchange at the leaf scale of Populus euphratica: a Farquhar et al. type biochemical sub-model of photosynthesis (Farquhar et al., 1980) and a Ball et al. type stomatal conductance sub-model (Ball et al., 1987). The photosynthesis parameters [including maximum carboxylation rate allowed by ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) carboxylation rate (Vcmax), potential light-saturated electron transport rate (Jmax), triose phosphate utilization (TPU) and day respiration (Rd)] were determined by using the genetic algorithm (GA) method based on A/Ci data. Values of Vcmax and Jmax standardized at 25 °C were 75.09±1.36 (mean ± standard error), 117.27±2.47, respectively. The stomatal conductance sub-model was calibrated independently. Prediction of net photosynthesis by the coupled model agreed well with the validation data, but the model tended to underestimate transpiration rates. Overall, the combined model generally captured the diurnal patterns of CO2 and H2O exchange resulting from variation in temperature and irradiation.

  18. A Sweet Spot for Molecular Diagnostics: Coupling Isothermal Amplification and Strand Exchange Circuits to Glucometers

    NASA Astrophysics Data System (ADS)

    Du, Yan; Hughes, Randall A.; Bhadra, Sanchita; Jiang, Yu Sherry; Ellington, Andrew D.; Li, Bingling

    2015-06-01

    Strand exchange nucleic acid circuitry can be used to transduce isothermal nucleic acid amplification products into signals that can be readable on an off-the-shelf glucometer. Loop-mediated isothermal amplification (LAMP) is limited by the accumulation of non-specific products, but nucleic acid circuitry can be used to probe and distinguish specific amplicons. By combining this high temperature isothermal amplification method with a thermostable invertase, we can directly transduce Middle-East respiratory syndrome coronavirus and Zaire Ebolavirus templates into glucose signals, with a sensitivity as low as 20-100 copies/μl, equating to atto-molar (or low zepto-mole). Virus from cell lysates and synthetic templates could be readily amplified and detected even in sputum or saliva. An OR gate that coordinately triggered on viral amplicons further guaranteed fail-safe virus detection. The method describes has potential for accelerating point-of-care applications, in that biological samples could be applied to a transducer that would then directly interface with an off-the-shelf, approved medical device.

  19. A Sweet Spot for Molecular Diagnostics: Coupling Isothermal Amplification and Strand Exchange Circuits to Glucometers

    PubMed Central

    Du, Yan; Hughes, Randall A.; Bhadra, Sanchita; Jiang, Yu Sherry; Ellington, Andrew D.; Li, Bingling

    2015-01-01

    Strand exchange nucleic acid circuitry can be used to transduce isothermal nucleic acid amplification products into signals that can be readable on an off-the-shelf glucometer. Loop-mediated isothermal amplification (LAMP) is limited by the accumulation of non-specific products, but nucleic acid circuitry can be used to probe and distinguish specific amplicons. By combining this high temperature isothermal amplification method with a thermostable invertase, we can directly transduce Middle-East respiratory syndrome coronavirus and Zaire Ebolavirus templates into glucose signals, with a sensitivity as low as 20–100 copies/μl, equating to atto-molar (or low zepto-mole). Virus from cell lysates and synthetic templates could be readily amplified and detected even in sputum or saliva. An OR gate that coordinately triggered on viral amplicons further guaranteed fail-safe virus detection. The method describes has potential for accelerating point-of-care applications, in that biological samples could be applied to a transducer that would then directly interface with an off-the-shelf, approved medical device. PMID:26050646

  20. Exchange coupling and magnetoresistance in CoFe/NiCu/CoFe spin valves near the Curie point of the spacer

    NASA Astrophysics Data System (ADS)

    Andersson, S.; Korenivski, V.

    2010-05-01

    Thermal control of exchange coupling between two strongly ferromagnetic layers through a weakly ferromagnetic Ni-Cu spacer and the associated magnetoresistance is investigated. The spacer, having a Curie point slightly above room temperature, can be cycled between its paramagnetic and ferromagnetic states by varying the temperature externally or using joule heating. It is shown that the giant magnetoresistance vanishes due to a strong reduction in the mean free path in the spacer at above ˜30% Ni concentration—before the onset of ferromagnetism. Finally, a device is proposed which combines thermally controlled exchange coupling and large magnetoresistance by separating the switching and the readout elements.

  1. Simulating carbon exchange using a regional atmospheric model coupled to an advanced land-surface model

    NASA Astrophysics Data System (ADS)

    Ter Maat, H. W.; Hutjes, R. W. A.; Miglietta, F.; Gioli, B.; Bosveld, F. C.; Vermeulen, A. T.; Fritsch, H.

    2010-08-01

    This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS), coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C), and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables. The simulations performed with the coupled regional model (RAMS-SWAPS-C) are in good qualitative agreement with the observations. The station validation of the model demonstrates that the incoming shortwave radiation and surface fluxes of water and CO2 are well simulated. The comparison against aircraft data shows that the regional meteorology (i.e. wind, temperature) is captured well by the model. Comparing spatially explicitly simulated fluxes with aircraft observed fluxes we conclude that in general latent heat fluxes are underestimated by the model compared to the observations but that the latter exhibit large variability within all flights. Sensitivity experiments demonstrate the relevance of the urban emissions of carbon dioxide for the carbon balance in this particular region. The same tests also show the relation between uncertainties in surface fluxes and those in atmospheric concentrations.

  2. Enhancement of specific absorption rate by exchange coupling of the core-shell structure of magnetic nanoparticles for magnetic hyperthermia

    NASA Astrophysics Data System (ADS)

    Phadatare, M. R.; Meshram, J. V.; Gurav, K. V.; Hyeok Kim, Jin; Pawar, S. H.

    2016-03-01

    Conversion of electromagnetic energy into heat by nanoparticles (NPs) has the potential to be a powerful, non-invasive technique for biomedical applications such as magnetic fluid hyperthermia, drug release, disease treatment and remote control of single cell functions, but poor conversion efficiencies have hindered practical applications so far. In this paper, an attempt has been made to increase the efficiency of magnetic thermal induction by NPs. To increase the efficiency of magnetic thermal induction by NPs, one can take advantage of the exchange coupling between a magnetically hard core and magnetically soft shell to tune the magnetic properties of the NP and maximize the specific absorption rate, which is the gauge of conversion efficiency. In order to examine the tunability of magnetocrystalline anisotropy and its magnetic heating power, a representative magnetically hard material (CoFe2O4) has been coupled to a soft material (Ni0.5Zn0.5Fe2O4). The synthesized NPs show specific absorption rates that are of an order of magnitude larger than the conventional one.

  3. Characterization of At- species in simple and biological media by high performance anion exchange chromatography coupled to gamma detector.

    PubMed

    Sabatié-Gogova, A; Champion, J; Huclier, S; Michel, N; Pottier, F; Galland, N; Asfari, Z; Chérel, M; Montavon, G

    2012-04-01

    Astatine is a rare radioelement belonging to the halogen group. Considering the trace amounts of astatine produced in cyclotrons, its chemistry cannot be evaluated by spectroscopic tools. Analytical tools, provided that they are coupled with a radioactive detection system, may be an alternative way to study its chemistry. In this research work, high performance anion exchange chromatography (HPAEC) coupled to a gamma detector (γ) was used to evaluate astatine species under reducing conditions. Also, to strengthen the reliability of the experiments, a quantitative analysis using a reactive transport model has been done. The results confirm the existence of one species bearing one negative charge in the pH range 2-7.5. With respect to the other halogens, its behavior indicates the existence of negative ion, astatide At(-). The methodology was successfully applied to the speciation of the astatine in human serum. Under fixed experimental conditions (pH 7.4-7.5 and redox potential of 250 mV) astatine exists mainly as astatide At(-) and does not interact with the major serum components. Also, the method might be useful for the in vitro stability assessment of (211)At-labeled molecules potentially applicable in nuclear medicine. PMID:22405318

  4. Characterization of At- species in simple and biological media by high performance anion exchange chromatography coupled to gamma detector.

    PubMed

    Sabatié-Gogova, A; Champion, J; Huclier, S; Michel, N; Pottier, F; Galland, N; Asfari, Z; Chérel, M; Montavon, G

    2012-04-01

    Astatine is a rare radioelement belonging to the halogen group. Considering the trace amounts of astatine produced in cyclotrons, its chemistry cannot be evaluated by spectroscopic tools. Analytical tools, provided that they are coupled with a radioactive detection system, may be an alternative way to study its chemistry. In this research work, high performance anion exchange chromatography (HPAEC) coupled to a gamma detector (γ) was used to evaluate astatine species under reducing conditions. Also, to strengthen the reliability of the experiments, a quantitative analysis using a reactive transport model has been done. The results confirm the existence of one species bearing one negative charge in the pH range 2-7.5. With respect to the other halogens, its behavior indicates the existence of negative ion, astatide At(-). The methodology was successfully applied to the speciation of the astatine in human serum. Under fixed experimental conditions (pH 7.4-7.5 and redox potential of 250 mV) astatine exists mainly as astatide At(-) and does not interact with the major serum components. Also, the method might be useful for the in vitro stability assessment of (211)At-labeled molecules potentially applicable in nuclear medicine.

  5. Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

    NASA Astrophysics Data System (ADS)

    Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E.

    2016-03-01

    Over the past few years, pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure.

  6. Determination of nucleosides and nucleotides in baby foods by hydrophilic interaction chromatography coupled to tandem mass spectrometry in the presence of hydrophilic ion-pairing reagents.

    PubMed

    Mateos-Vivas, María; Rodríguez-Gonzalo, Encarnación; Domínguez-Álvarez, Javier; García-Gómez, Diego; Carabias-Martínez, Rita

    2016-11-15

    In this work we propose a rapid and efficient method for the joint determination of nucleosides and nucleotides in dairy and non-dairy baby foods based on hydrophilic interaction chromatography coupled to tandem mass spectrometry in the presence of diethylammonium (DEA) as a hydrophilic ion-pairing reagent (IP-HILIC-MS/MS). Sample treatment of the baby food included dilution with water and centrifugal ultrafiltration (CUF) with an additional washing step that notably improved the global performance of the process. Later dilution of the extract with acetonitrile allowed adequate separation in the HILIC system. With the proposed treatment, we obtained extraction recoveries higher than 80% and, additionally, no matrix effects were observed. The CUF-IP-HILIC-MS/MS method was validated according to the 2002/657/EC decision and was used for the quantification of nucleotides and nucleosides in sixteen samples of commercial baby foods. PMID:27283702

  7. Precise Measurement of Pipe Wall Thickness in Noncontact Manner Using a Circumferential Lamb Wave Generated and Detected by a Pair of Air-Coupled Transducers

    NASA Astrophysics Data System (ADS)

    Nishino, Hideo; Asano, Tadashi; Taniguchi, Yuta; Yoshida, Kenichi; Ogawa, Hitoshi; Takahashi, Masakazu; Ogura, Yukio

    2011-07-01

    In this paper, we present a novel method of accurately estimating pipe wall thickness by detecting the minute difference in the angular wave number of a circumferential (C-) Lamb wave. A C-Lamb wave circling along a circumference of a pipe is transmitted and received by a pair of noncontact air-coupled ultrasonic transducers. For the accurate detection of the angular wave number, a large number of tone-burst cycles are used so as to superpose the C-Lamb wave on itself along its circumferential orbit. In this setting, the amplitude of the superposed region changes considerably with the angular wave number, from which the wall thickness can be estimated. This method is very useful to monitor the integrity of piping in high-temperature environments because of its noncontact nature. The principle of the method and experimental verification are shown.

  8. Sensitive determination of thallium species in drinking and natural water by ionic liquid-assisted ion-pairing liquid-liquid microextraction and inductively coupled plasma mass spectrometry.

    PubMed

    Escudero, Leticia B; Wuilloud, Rodolfo G; Olsina, Roberto A

    2013-01-15

    A fast and simple method involving separation and determination of thallium (Tl) species, based on novel ionic liquid-assisted ion pairing dispersive liquid-liquid microextraction (DLLME) method, was developed. Initially, Tl(III) was selectively complexed with chloride ion to form [TlCl(4)](-) chlorocomplex. Subsequently, tetradecyl(trihexyl)phosphonium chloride ionic liquid (CYPHOS(®) IL 101) was used to form the ion-pair with [TlCl(4)](-) anion followed by extraction. The DLLME procedure was developed by dispersing 80 μL of carbon tetrachloride with 100 μL of ethanol added to the aqueous solution. After DLLME, the upper aqueous phase containing Tl(I) only was removed and analysed by inductively coupled plasma-mass spectrometry (ICP-MS). In contrast to Tl(III), Tl(I) species does not form neither stable nor anionic complexes with chloride ions and it was not extracted into the organic phase. Total Tl concentration was obtained by direct introduction of sample into ICP-MS instrument. The calibration graph for the analyte was linear with a correlation coefficient of 0.9989. Under optimal conditions, detection limit of Tl species was 0.4 ng L(-1). The relative standard deviation (n=10) at 1 ng mL(-1) Tl concentration level was 1.3% for Tl(I) and 1.5% for Tl(III). The method was successfully applied for fast speciation analysis of Tl at ultratrace levels in real water samples.

  9. Exact two-body quantum dynamics of an electron-hole pair in semiconductor coupled quantum wells: A time-dependent approach

    NASA Astrophysics Data System (ADS)

    Grasselli, Federico; Bertoni, Andrea; Goldoni, Guido

    2016-05-01

    We simulate the time-dependent coherent dynamics of a spatially indirect exciton—an electron-hole pair with the two particles confined in different layers—in a GaAs coupled quantum well system. We use a unitary wave-packet propagation method taking into account in full the four degrees of freedom of the two particles in a two-dimensional system, including both the long-range Coulomb attraction and arbitrary two-dimensional electrostatic potentials affecting the electron and/or the hole separately. The method has been implemented for massively parallel architectures to cope with the huge numerical problem, showing good scaling properties and allowing evolution for tens of picoseconds. We have investigated both transient time phenomena and asymptotic time transmission and reflection coefficients for potential profiles consisting of (i) extended barriers and wells and (ii) a single-slit geometry. We found clear signatures of the internal two-body dynamics, with transient phenomena in the picosecond time scale which might be revealed by optical spectroscopy. Exact results have been compared with mean-field approaches which, neglecting dynamical correlations by construction, turn out to be inadequate to describe the electron-hole pair evolution in realistic experimental conditions.

  10. Spin waves in exchange-coupled double layers in the presence of spin torques

    NASA Astrophysics Data System (ADS)

    Baláž, Pavel; Barnaś, Józef

    2015-03-01

    Spin-wave spectra of a double magnetic layer are calculated theoretically in the macroscopic limit. Magnetic dynamics is described in terms of the Landau-Lifshitz-Gilbert equation, and both static (of the Ruderman-Kittel-Kasuya-Yosida type) and dynamic (via spin pumping) interlayer couplings are taken into account. The influence of spin pumping and spin transfer torque on the spin-wave spectra (frequency and damping factor) has been studied for both parallel and antiparallel magnetic configurations. The spin-wave spectrum in the parallel magnetic state is reciprocal, while in the antiparallel configuration it is nonreciprocal. In both cases, a substantial reduction of the spin-wave lifetimes due to spin pumping to the nonmagnetic metallic layers has been found. In the parallel configuration, this reduction appears mainly for optical modes, while in the antiparallel configuration, it is remarkable for all modes. In turn, the spin torque due to spin current flowing from a metallic layer, created for instance by the spin Hall effect, gives rise to significant changes in the damping factors as well, but these modifications depend on the sign of spin current. For one spin current orientation, the spin-wave damping becomes reduced and may disappear for some modes at a specific threshold value of the spin current, indicating magnetic instability in the system due to spin transfer torque. For the opposite spin current, the damping is enhanced, which indicates stabilization of the corresponding magnetic state.

  11. Analytic exchange integral for coupled cluster theory in the homogeneous electron gas

    NASA Astrophysics Data System (ADS)

    Gutlé, Claudine

    2006-05-01

    A six-dimensional integral occurring in the description of the ground state of the homogeneous electron gas was calculated analytically. This formula, together with the one of a previous work [G.G. Hoffman, Phys. Rev. B 45 (1992) 8730], reduces from seven to one the dimension of the numerical integrations to be performed in the RPA+RPAEX approximation for the correlation energy [R.F. Bishop, K.H. Lührmann, Phys. Rev. B 26 (1982) 5523]. Program summaryTitle of program: qexm2em1 Catalogue identifier:ADXJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXJ_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: Created using a PC, but can be run on UNIX machines Operating system under which the program has been tested: Linux Programming language used: Mathematica 4.0 (due to versions incompatibility the program does not work with more recent versions like Mathematica 5.1) Memory required to execute with typical data: 151 Mb Number of processors used: 1 Has this code been vectorized or parallelized? no No. of lines in distributed program, including test data, etc.: 13 415 Number of bytes in distributed program, including test data, etc.: 102 988 Nature of the physical problem: The program gives an analytical derivation of a six-dimensional exchange integral involved in the calculation of the correlation energy of the electron gas. Method of solution: Changes of variables were gradually introduced in order to decrease the dimensionality of the integral, and eventually an analytical expression was obtained. Restrictions on the complexity of the program: The present version of the program has been designed only for calculating only one integral. Though, the method can be used for other cylindrically-symmetric integrals. Typical running times: file formula.nb: less than 1 s; qexm2em1.nb: 02 mn 02 s; qexm2em1qinf2AA.nb: 09 mn 42 s; qexm2em1qinf2BB.nb: 08 mn 05 s; qexm2em1qinf2AB.nb: 00

  12. Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

    NASA Astrophysics Data System (ADS)

    Datta, Dipayan; Kossmann, Simone; Neese, Frank

    2016-09-01

    The domain-based local pair-natural orbital coupled-cluster (DLPNO-CC) theory has recently emerged as an efficient and powerful quantum-chemical method for the calculation of energies of molecules comprised of several hundred atoms. It has been demonstrated that the DLPNO-CC approach attains the accuracy of a standard canonical coupled-cluster calculation to about 99.9% of the basis set correlation energy while realizing linear scaling of the computational cost with respect to system size. This is achieved by combining (a) localized occupied orbitals, (b) large virtual orbital correlation domains spanned by the projected atomic orbitals (PAOs), and (c) compaction of the virtual space through a truncated pair natural orbital (PNO) basis. In this paper, we report on the implementation of an analytic scheme for the calculation of the first derivatives of the DLPNO-CC energy for basis set independent perturbations within the singles and doubles approximation (DLPNO-CCSD) for closed-shell molecules. Perturbation-independent one-particle density matrices have been implemented in order to account for the response of the CC wave function to the external perturbation. Orbital-relaxation effects due to external perturbation are not taken into account in the current implementation. We investigate in detail the dependence of the computed first-order electrical properties (e.g., dipole moment) on the three major truncation parameters used in a DLPNO-CC calculation, namely, the natural orbital occupation number cutoff used for the construction of the PNOs, the weak electron-pair cutoff, and the domain size cutoff. No additional truncation parameter has been introduced for property calculation. We present benchmark calculations on dipole moments for a set of 10 molecules consisting of 20-40 atoms. We demonstrate that 98%-99% accuracy relative to the canonical CCSD results can be consistently achieved in these calculations. However, this comes with the price of tightening the

  13. Effect of interface roughness on exchange coupling in polycrystalline Co/CoO bilayer structure: An in-situ investigation

    NASA Astrophysics Data System (ADS)

    Kumar, Dileep; Singh, Sadhana; Gupta, Ajay

    2016-08-01

    The effect of interface roughness on exchange-bias (EB) properties of polycrystalline Co/CoO bilayer structure has been studied in-situ. Isothermal annealing of a 135 Å thick Co layer under the partial pressure of pure oxygen at 573 K results in the formation of a 35 Å thick CoO layer, the surface roughness of which increases with the increasing annealing time. Bilayers were characterized in-situ using magneto-optic Kerr effect, reflection high energy electron diffraction, and x-ray reflectivity for their magnetic and structural properties during each stage of bilayer growth. Combined analysis revealed that the increase in the roughness from 7 ±0.5 Å to 13 ±Å causes the exchange bias field (HEB) to decrease from 171 Oe to 81 Oe, whereas coercivity (HC) increases up to 616 Oe. In contrast to some earlier studies on polycrystalline films, where HEB increased with roughness due to the increase in the uncompensated spins at ferromagnetic-antiferromagnetic (AFM) layer interface, in the present case, dependence of HEB and HC on the roughness is attributed to the disorder at the interface of AFM layer, which leads to a decrease in HEB due to weakening of the effective spin coupling at the interface. Present in-situ experiments make it possible to study the variations in EB properties with the interface roughness in a single sample, and thus avoiding the possibility of the sample to sample variation in the morphological properties along with the change in the interface roughness.

  14. Impacts of the tensor couplings of ω and ρ mesons and Coulomb-exchange terms on superheavy nuclei and their relation to the symmetry energy

    NASA Astrophysics Data System (ADS)

    Liliani, N.; Nugraha, A. M.; Diningrum, J. P.; Sulaksono, A.

    2016-05-01

    We have studied the effects of tensor coupling of ω and ρ meson terms, the Coulomb exchange term in local density approximation, and various isoscalar-isovector coupling terms of relativistic mean-field model on the properties of nuclear matter, finite nuclei, and superheavy nuclei. We found that for the same fixed value of symmetry energy J or its slope L the presence of tensor coupling of ω and ρ meson terms and the Coulomb exchange term yields thicker neutron skin thickness of 208Pb. We also found that the roles of tensor coupling of ω and ρ meson terms, the Coulomb-exchange term in local density approximation, and various isoscalar-isovector coupling terms on the bulk properties of finite nuclei vary depending on the corresponding nucleus mass. However, on average, tensor coupling terms play a significant role in predicting the bulk properties of finite nuclei in a quite wide mass range, especially in binding energies. We also observed that for some particular nuclei, the corresponding experimental data of binding energies are rather less compatible with the presence of the Coulomb-exchange term in local density approximation and they tend to disfavor the presence of isoscalar-isovector coupling term with too-high Λ value. Furthermore, we have found that these terms influence the detail properties of 292120 superheavy nucleus such as binding energies, the magnitude of two-nucleon gaps, single-particle spectra, neutron densities, neutron skin thicknesses, and mean-square charge radii. However, the shell-closure predictions of 208Pb and 292120 nuclei are not affected by the presence of these terms.

  15. Magnetic properties and anisotropic magnetoresistance of antiperovskite nitride Mn{sub 3}GaN/Co{sub 3}FeN exchange-coupled bilayers

    SciTech Connect

    Sakakibara, H. Ando, H.; Kuroki, Y.; Kawai, S.; Ueda, K.; Asano, H.

    2015-05-07

    Epitaxial bilayers of antiferromagnetic Mn{sub 3}GaN/ferromagnetic Co{sub 3}FeN with an antiperovskite structure were grown by reactive magnetron sputtering, and their structural, magnetic, and electrical properties were investigated. Exchange coupling with an exchange field H{sub ex} of 0.4 kOe at 4 K was observed for Mn{sub 3}GaN (20 nm)/Co{sub 3}FeN (5 nm) bilayers. Negative anisotropic magnetoresistance (AMR) effect in Co{sub 3}FeN was observed and utilized to detect magnetization reversal in exchange-coupled Mn{sub 3}GaN/Co{sub 3}FeN bilayers. The AMR results showed evidence for current-induced spin transfer torque in antiferromagnetic Mn{sub 3}GaN.

  16. Microstructure and exchange coupling in nanocrystalline Nd2(FeCo)14B/α-FeCo particles produced by spark erosion

    NASA Astrophysics Data System (ADS)

    Tang, Y. J.; Parker, F. T.; Harper, H.; Berkowitz, A. E.; Vecchio, K.; Rohatgi, A.; Ma, Bao-Min

    2005-03-01

    Exchange spring magnet particles of Nd2(FeCo)14B/α-FeCo were prepared by spark erosion. X-ray diffraction and Mössbauer studies showed that the particles are composed of about ˜85vol% of Nd2(FeCo)14B and ˜13vol% of α-FeCo with negligible other phases. No oxide was found in these particles. Transmission electron micrographs indicated that the grain sizes of the Nd2(FeCo)14B and α-FeCo phases are ˜10-50nm, and are compatible with effective exchange coupling between the hard and soft phases. The intergrain exchange coupling was also observed in ΔM measurements.

  17. A clear oscillation of the interlayer exchange coupling in Co2FeAl/Cr/Co2FeAl structure with MgO capping layer

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoguang; Zhang, Jianli; Sha, Lei; Zhang, Delin; Jiang, Yong

    2012-10-01

    We have studied the interlayer exchange coupling in Co2FeAl (CFA)/Cr/CFA/MgO multilayers via both experiments and numerical simulation. Magnetization measurement on the films shows a clear oscillation attenuation behavior with the thickness (0.6 nm < t < 10 nm) of the Cr spacer layer, and the oscillation period is about 2.1 nm. The numerical simulation demonstrates that the interlayer exchange coupling between CFA layers is 90° coupling having an oscillation behavior, which is in good agreement with the experiments. MgO capping layer is supposed to be a key factor for the clear periodic oscillation behavior in CFA/Cr/CFA trilayers.

  18. The Effects of Vascular Occlusion Training on Respiratory Exchange Ratio and Energy Expenditure When Coupled With Cardiovascular Training

    PubMed Central

    SPRICK, JUSTIN; LLOYD, RICHARD; ELDRIDGE, JAMES

    2015-01-01

    Vascular occlusion training is a novel training modality that has received considerable attention in the exercise science literature. The current study is the first of its kind to look at the effects of vascular occlusion training on substrate utilization when combined with aerobic training. This study examined the effects of pairing a vascular occlusion training protocol with a bout of submaximal aerobic exercise on energy expenditure (EE) and fuel use during exercise. Subjects performed a 20 minute bout of sub-maximal aerobic exercise either exclusively, or after performing a body weight squat protocol either with or without vascular occlusion. Peak lactate concentrations, EE and respiratory exchange ratio (RER) were all measured. A repeated measures analysis of variance was performed to look at differences among groups and interactions among protocols. The results suggest no difference in peak lactate (7.29 mmol/dl vs. 10.17 mmol/dl; F=0.946; p>0.05) or EE (92.09 Kcals vs 93.48 Kcals; F=0.898 p>0.05) among protocols. However, there does appear to be a shift in substrate utilization towards fatty acid oxidation by performing either a vascular occlusion training protocol (mean RER= 0.836) or a protocol of body weight squats (mean RER= 0.823) prior to aerobic training in comparison to performing aerobic training alone (mean RER= 0.881). There were, however, no significant differences between the occlusion protocol and the body weight squat protocol prior to the aerobic training. These results suggest that while there are no differences in overall caloric expenditure between protocols, performing either a resistance training protocol or a vascular occlusion training protocol shifts substrate utilization in favor of fatty acid oxidation over the oxidation of carbohydrates. PMID:27182413

  19. Effects of the arrangement of triangle-winglet-pair vortex generators on heat transfer performance of the shell side of a double-pipe heat exchanger enhanced by helical fins

    NASA Astrophysics Data System (ADS)

    Zhang, Li; Shang, Bojun; Meng, Huibo; Li, Yaxia; Wang, Cuihua; Gong, Bin; Wu, Jianhua

    2016-04-01

    To improve heat transfer performance of the shell side of a double-pipe heat exchanger enhanced by helical fins, triangle-winglet-pair vortex generators (VG) were installed along the centerline of the helical channel with rectangular cross section. The effects of the arrangement of the triangle-winglet-pair VG, such as the geometry, the angle of attack and the quantity on heat transfer performance and pressure drop characteristics have been investigated experimentally to find out the optimal design of the VG. Air was used as working fluid within the range of Re from 680 to 16,000. The results show that, the heat exchange effectiveness of the shell side with VG is 16.6 % higher than that without VG. The vortices and the unsteadiness of the flow introduced by the VG make a great contribution to the increase. Under identical pressure drop condition, the angle of attack of 30° is the best choice compared with 45° and 60°. Under the three constraints, i.e., identical mass flow rate, identical pressure drop and identical pumping power, the largest VG size can achieve the best enhancement effect. Installation of three pairs of VG within one pitch is an optimal design for the shell side used in the present experiments. The enhancement effect of isosceles right triangle is better than that of right triangle in which one acute angle is 30°.

  20. Recovery of salts from ion-exchange regeneration streams by a coupled nanofiltration-membrane distillation process.

    PubMed

    Jiříček, Tomáš; De Schepper, Wim; Lederer, Tomáš; Cauwenberg, Peter; Genné, Inge

    2015-01-01

    Ion-exchange tap water demineralization for process water preparation results in a saline regeneration wastewater (20-100 mS cm(-1)) that is increasingly problematic in view of discharge. A coupled nanofiltration-membrane distillation (NF-MD) process is evaluated for the recovery of water and sodium chloride from this wastewater. NF-MD treatment of mixed regeneration wastewater is compared to NF-MD treatment of separate anion- and cation-regenerate fractions. NF on mixed regeneration wastewater results in a higher flux (30 L m(-2) h(-1) at 7 bar) compared to NF on the separate fractions (6-9 L m(-2) h(-1) at 30 bar). NF permeate recovery is strongly limited by scaling (50% for separate and 60% for mixed, respectively). Physical signs of scaling were found during MD treatment of the NF permeates but did not result in flux decline for mixed regeneration wastewater. Final salt composition is expected to qualify as a road de-icing salt. NF-MD is an economically viable alternative compared to external disposal of wastewater for larger-scale installations (1.4 versus 2.5 euro m(-3) produced demineralized water for a 10 m3 regenerate per day plant). The cost benefits of water re-use and salt recuperation are small when compared to total treatment costs for mixed regenerate wastewater.

  1. Recovery of salts from ion-exchange regeneration streams by a coupled nanofiltration-membrane distillation process.

    PubMed

    Jiříček, Tomáš; De Schepper, Wim; Lederer, Tomáš; Cauwenberg, Peter; Genné, Inge

    2015-01-01

    Ion-exchange tap water demineralization for process water preparation results in a saline regeneration wastewater (20-100 mS cm(-1)) that is increasingly problematic in view of discharge. A coupled nanofiltration-membrane distillation (NF-MD) process is evaluated for the recovery of water and sodium chloride from this wastewater. NF-MD treatment of mixed regeneration wastewater is compared to NF-MD treatment of separate anion- and cation-regenerate fractions. NF on mixed regeneration wastewater results in a higher flux (30 L m(-2) h(-1) at 7 bar) compared to NF on the separate fractions (6-9 L m(-2) h(-1) at 30 bar). NF permeate recovery is strongly limited by scaling (50% for separate and 60% for mixed, respectively). Physical signs of scaling were found during MD treatment of the NF permeates but did not result in flux decline for mixed regeneration wastewater. Final salt composition is expected to qualify as a road de-icing salt. NF-MD is an economically viable alternative compared to external disposal of wastewater for larger-scale installations (1.4 versus 2.5 euro m(-3) produced demineralized water for a 10 m3 regenerate per day plant). The cost benefits of water re-use and salt recuperation are small when compared to total treatment costs for mixed regenerate wastewater. PMID:26177408

  2. Impact factors on the long-term sustainability of Borehole Heat Exchanger coupled Ground Source Heat Pump System

    NASA Astrophysics Data System (ADS)

    Shao, Haibing; Hein, Philipp; Görke, Uwe-Jens; Bucher, Anke; Kolditz, Olaf

    2016-04-01

    In recent years, Ground Source Heat Pump System (GSHPS) has been recognized as an efficient technology to utilize shallow geothermal energy. Along with its wide application, some GSHPS are experiencing a gradual decrease in Borehole Heat Exchanger (BHE) outflow temperatures and thus have to be turned off after couple of years' operation. A comprehensive numerical investigation was then performed to model the flow and heat transport processes in and around the BHE, together with the dynamic change of heat pump efficiency. The model parameters were based on the soil temperature and surface weather condition in the Leipzig area. Different scenarios were modelled for a service life of 30 years, to reveal the evolution of BHE outflow and surrounding soil temperatures. It is found that lateral groundwater flow and using BHE for cooling will be beneficial to the energy recovery, along with the efficiency improvement of the heat pump. In comparison to other factors, the soil heat capacity and thermal conductivity are considered to have minor impact on the long-term sustainability of the system. Furthermore, the application of thermally enhanced grout material will improve the sustainability and efficiency. In contrast, it is very likely that undersized systems and improper grouting are the causes of strong system degradation.

  3. Ion-exchange-membrane-based enzyme micro-reactor coupled online with liquid chromatography-mass spectrometry for protein analysis.

    PubMed

    Zhou, Zhigui; Yang, Youyou; Zhang, Jialing; Zhang, Zhengxiang; Bai, Yu; Liao, Yiping; Liu, Huwei

    2012-04-01

    In this article, we developed a membrane-based enzyme micro-reactor by directly using commercial polystyrene-divinylbenzene cation-exchange membrane as the support for trypsin immobilization via electrostatic and hydrophobic interactions and successfully applied it for protein digestion. The construction of the reactor can be simply achieved by continuously pumping trypsin solution through the reactor for only 2 min, which was much faster than the other enzyme immobilization methods. In addition, the membrane reactor could be rapidly regenerated within 35 min, resulting in a "new" reactor for the digestion of every protein sample, completely eliminating the cross-interference of different protein samples. The amount and the activity of immobilized trypsin were measured, and the repeatability of the reactor was tested, with an RSD of 3.2% for the sequence coverage of cytochrome c in ten digestion replicates. An integrated platform for protein analysis, including online protein digestion and peptide separation and detection, was established by coupling the membrane enzyme reactor with liquid chromatography-quadrupole time-of-flight mass spectrometry. The performance of the platform was evaluated using cytochrome c, myoglobin, and bovine serum albumin, showing that even in the short digestion time of several seconds the obtained sequence coverages was comparable to or higher than that with in-solution digestion. The system was also successfully used for the analysis of proteins from yeast cell lysate.

  4. Coupled modeling of water transport and air-droplet interaction in the electrode of a proton exchange membrane fuel cell

    NASA Astrophysics Data System (ADS)

    Esposito, Angelo; Pianese, Cesare; Guezennec, Yann G.

    In this work, an accurate and computationally fast model for liquid water transport within a proton exchange membrane fuel cell (PEMFC) electrode is developed by lumping the space-dependence of the relevant variables. Capillarity is considered as the main transport mechanism within the gas diffusion layer (GDL). The novelty of the model lies in the coupled simulation of the water transport at the interface between gas diffusion layer and gas flow channel (GFC). This is achieved with a phenomenological description of the process that allows its simulation with relative simplicity. Moreover, a detailed two-dimensional visualization of such interface is achieved via geometric simulation of water droplets formation, growth, coalescence and detachment on the surface of the GDL. The model is useful for optimization analysis oriented to both PEMFC design and balance of plant. Furthermore, the accomplishment of reduced computational time and good accuracy makes the model suitable for control strategy implementation to ensure PEM fuel cells operation within optimal electrode water content.

  5. The tolerance to exchanges of the Watson–Crick base pair in the hammerhead ribozyme core is determined by surrounding elements

    PubMed Central

    Przybilski, Rita; Hammann, Christian

    2007-01-01

    Tertiary interacting elements are important features of functional RNA molecules, for example, in all small nucleolytic ribozymes. The recent crystal structure of a tertiary stabilized type I hammerhead ribozyme revealed a conventional Watson–Crick base pair in the catalytic core, formed between nucleotides C3 and G8. We show that any Watson–Crick base pair between these positions retains cleavage competence in two type III ribozymes. In the Arabidopsis thaliana sequence, only moderate differences in cleavage rates are observed for the different base pairs, while the peach latent mosaic viroid (PLMVd) ribozyme exhibits a preference for a pyrimidine at position 3 and a purine at position 8. To understand these differences, we created a series of chimeric ribozymes in which we swapped sequence elements that surround the catalytic core. The kinetic characterization of the resulting ribozymes revealed that the tertiary interacting loop sequences of the PLMVd ribozyme are sufficient to induce the preference for Y3–R8 base pairs in the A. thaliana hammerhead ribozyme. In contrast to this, only when the entire stem–loops I and II of the A. thaliana sequences are grafted on the PLMVd ribozyme is any Watson–Crick base pair similarly tolerated. The data provide evidence for a complex interplay of secondary and tertiary structure elements that lead, mediated by long-range effects, to an individual modulation of the local structure in the catalytic core of different hammerhead ribozymes. PMID:17666711

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

    PubMed Central

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

    2015-01-01

    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. PMID:26531154

  7. The Simulation of the Opposing Fluxes of Latent Heat and CO2 over Various Land-Use Types: Coupling a Gas Exchange Model to a Mesoscale Atmospheric Model

    NASA Astrophysics Data System (ADS)

    Reyers, Mark; Krüger, Andreas; Werner, Christiane; Pinto, Joaquim G.; Zacharias, Stefan; Kerschgens, Michael

    2011-04-01

    A mesoscale meteorological model (FOOT3DK) is coupled with a gas exchange model to simulate surface fluxes of CO2 and H2O under field conditions. The gas exchange model consists of a C3 single leaf photosynthesis sub-model and an extended big leaf (sun/shade) sub-model that divides the canopy into sunlit and shaded fractions. Simulated CO2 fluxes of the stand-alone version of the gas exchange model correspond well to eddy-covariance measurements at a test site in a rural area in the west of Germany. The coupled FOOT3DK/gas exchange model is validated for the diurnal cycle at singular grid points, and delivers realistic fluxes with respect to their order of magnitude and to the general daily course. Compared to the Jarvis-based big leaf scheme, simulations of latent heat fluxes with a photosynthesis-based scheme for stomatal conductance are more realistic. As expected, flux averages are strongly influenced by the underlying land cover. While the simulated net ecosystem exchange is highly correlated with leaf area index, this correlation is much weaker for the latent heat flux. Photosynthetic CO2 uptake is associated with transpirational water loss via the stomata, and the resulting opposing surface fluxes of CO2 and H2O are reproduced with the model approach. Over vegetated surfaces it is shown that the coupling of a photosynthesis-based gas exchange model with the land-surface scheme of a mesoscale model results in more realistic simulated latent heat fluxes.

  8. Wall energy and wall thickness of exchange-coupled rare-earth transition-metal triple layer stacks

    SciTech Connect

    Raasch, D.; Mathieu, C.

    1997-08-01

    The room-temperature wall energy {sigma}{sub w}=4.0{times}10{sup {minus}3}J/m{sup 2} of an exchange-coupled Tb{sub 19.6}Fe{sub 74.7}Co{sub 5.7}/Dy{sub 28.5}Fe{sub 43.2}Co{sub 28.3} double layer stack can be reduced by introducing a soft magnetic intermediate layer in between both layers exhibiting a significantly smaller anisotropy compared to Tb{endash}FeCo and Dy{endash}FeCo. {sigma}{sub w} will decrease linearly with increasing intermediate layer thickness, d{sub IL}, until the wall is completely located within the intermediate layer for d{sub IL}{ge}d{sub w}, where d{sub w} denotes the wall thickness. Thus, d{sub w} can be obtained from the plot {sigma}{sub w} versus d{sub IL}. We determined {sigma}{sub w} and d{sub w} on Gd{endash}FeCo intermediate layers with different anisotropy behavior (perpendicular and in-plane easy axis) and compared the results with data obtained from Brillouin light-scattering measurements, where exchange stiffness, A, and uniaxial anisotropy, K{sub u}, could be determined. With the knowledge of A and K{sub u}, wall energy and thickness were calculated and showed an excellent agreement with the magnetic measurements. A ten times smaller perpendicular anisotropy of Gd{sub 28.1}Fe{sub 71.9} in comparison to Tb{endash}FeCo and Dy{endash}FeCo resulted in a much smaller {sigma}{sub w}=1.1{times}10{sup {minus}3}J/m{sup 2} and d{sub w}=24nm at 300 K. A Gd{sub 34.1}Fe{sub 61.4}Co{sub 4.5} with in-plane anisotropy at room temperature showed a further reduced {sigma}{sub w}=0.3{times}10{sup {minus}3}J/m{sup 2} and d{sub w}=17nm. The smaller wall energy was a result of a different wall structure compared to perpendicular layers. {copyright} {ital 1997 American Institute of Physics.}

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

    SciTech Connect

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

    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.

  10. Temperature-scanned magnetic resonance and the evidence of two-way transfer of a nitrogen nuclear spin hyperfine interaction in coupled NV-N pairs in diamond

    NASA Astrophysics Data System (ADS)

    Babunts, R. A.; Soltamova, A. A.; Tolmachev, D. O.; Soltamov, V. A.; Gurin, A. S.; Anisimov, A. N.; Preobrazhenskii, V. L.; Baranovi, P. G.

    2012-06-01

    New method for the detection of magnetic resonance signals versus temperature is developed on the basis of the temperature dependence of the spin Hamiltonian parameters of the paramagnetic system under investigation. The implementation of this technique is demonstrated on the nitrogen-vacancy (NV) centers in diamonds. Single NV defects and their ensembles are suggested to be almost inertialess temperature sensors. The hyperfine structure of the 14N nitrogen nuclei of the nitrogen-vacancy center appears to be resolved in the hyperfine structure characteristic of the hyperfine interaction between NV and an N s center (substitutional nitrogen impurity) in the optically detected magnetic resonance spectra of the molecular NV-N s complex. Thus, we show that a direct evidence of the two-way transfer of a nitrogen nuclear spin hyperfine interaction in coupled NV-N s pairs was observed. It is shown that more than 3-fold enhancement of the NV optically detected magnetic resonance signal can be achieved by using water as a collection optics medium.

  11. Simultaneous determination of arsenic and mercury species in rice by ion-pairing reversed phase chromatography with inductively coupled plasma mass spectrometry.

    PubMed

    Fang, Yong; Pan, Yushi; Li, Peng; Xue, Mei; Pei, Fei; Yang, Wenjian; Ma, Ning; Hu, Qiuhui

    2016-12-15

    An analytical method using reversed phase chromatography-inductively coupled plasma mass spectrometry for arsenic and mercury speciation analysis was described. The effect of ion-pairing reagent on simultaneous separation of four arsenic (arsenite, arsenate, monomethlyarsonate and dimethylarsinate) and three mercury species (inorganic mercury (Hg(II)), methylmecury and ethylmercury) was investigated. Parameters including concentrations and pH of the mobile phase were optimized. The separation and re-equilibration time was attained within 20min. Meanwhile, a sequential extraction method for arsenic and mercury in rice was tested. Subsequently, 1% HNO3 microwave-assisted extraction was chosen. Calibration curves based on peak area measurements were linear with correlation coefficient greater than 0.9958 for each species in the range studied. The detection limits of the species were in the range of 0.84-2.41μg/L for arsenic and 0.01-0.04μg/L for mercury, respectively. The proposed method was then successfully applied for the simultaneous determination of arsenic and mercury species in rice flour standard material and two kinds of rice from local markets. PMID:27451225

  12. COUPLING

    DOEpatents

    Frisch, E.; Johnson, C.G.

    1962-05-15

    A detachable coupling arrangement is described which provides for varying the length of the handle of a tool used in relatively narrow channels. The arrangement consists of mating the key and keyhole formations in the cooperating handle sections. (AEC)

  13. Magnetization dynamics in an exchange-coupled NiFe/CoFe bilayer studied by x-ray detected ferromagnetic resonance

    NASA Astrophysics Data System (ADS)

    Stenning, G. B. G.; Shelford, L. R.; Cavill, S. A.; Hoffmann, F.; Haertinger, M.; Hesjedal, T.; Woltersdorf, G.; Bowden, G. J.; Gregory, S. A.; Back, C. H.; de Groot, P. A. J.; van der Laan, G.

    2015-01-01

    Exchange-coupled hard and soft magnetic layers find extensive use in data storage applications, for which their dynamical response has great importance. With bulk techniques, such as ferromagnetic resonance (FMR), it is difficult to access the behaviour and precise influence of each individual layer. By contrast, the synchrotron radiation-based technique of x-ray detected ferromagnetic resonance (XFMR) allows element-specific and phase-resolved FMR measurements in the frequency range 0.5-11 GHz. Here, we report the study of the magnetization dynamics of an exchange-coupled Ni0.81Fe0.19 (43.5 nm)/Co0.5Fe0.5 (30 nm) bilayer system using magnetometry and vector network analyser FMR, combined with XFMR at the Ni and Co L2 x-ray absorption edges. The epitaxially grown bilayer exhibits two principal resonances denoted as the acoustic and optical modes. FMR experiments show that the Kittel curves of the two layers cannot be taken in isolation, but that their modelling needs to account for an interlayer exchange coupling. The angular dependence of FMR indicates a collective effect for the modes of the magnetically hard CoFe and soft NiFe layer. The XFMR precessional scans show that the acoustic mode is dominated by the Ni signal with the Co and Ni magnetization precessing in phase, whereas the optical mode is dominated by the Co signal with the Co and Ni magnetization precessing in anti-phase. The response of the Co signal at the Ni resonance, and vice versa, show induced changes in both amplitude and phase, which can be ascribed to the interface exchange coupling. An interesting aspect of phase-resolved XFMR is the ability to distinguish between static and dynamic exchange coupling. The element-specific precessional scans of the NiFe/CoFe bilayer clearly have the signature of static exchange coupling, in which the effective field in one layer is aligned along the magnetization direction of the other layer.

  14. Spectral Theory of No-Pair Hamiltonians

    NASA Astrophysics Data System (ADS)

    Matte, Oliver; Stockmeyer, Edgardo

    We prove an HVZ theorem for a general class of no-pair Hamiltonians describing an atom or positively charged ion with several electrons in the presence of a classical external magnetic field. Moreover, we show that there exist infinitely many eigenvalues below the essential spectrum and that the corresponding eigenfunctions are exponentially localized. The novelty is that the electrostatic and magnetic vector potentials as well as a non-local exchange potential are included in the projection determining the model. As a main technical tool, we derive various commutator estimates involving spectral projections of Dirac operators with external fields. Our results apply to all coupling constants e2Z < 1.

  15. Effective Application of Bicelles for Conformational Analysis of G Protein-Coupled Receptors by Hydrogen/Deuterium Exchange Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Duc, Nguyen Minh; Du, Yang; Thorsen, Thor S.; Lee, Su Youn; Zhang, Cheng; Kato, Hideaki; Kobilka, Brian K.; Chung, Ka Young

    2015-05-01

    G protein-coupled receptors (GPCRs) have important roles in physiology and pathology, and 40% of drugs currently on the market target GPCRs for the treatment of various diseases. Because of their therapeutic importance, the structural mechanism of GPCR signaling is of great interest in the field of drug discovery. Hydrogen/deuterium exchange mass spectrometry (HDX-MS) is a useful tool for analyzing ligand binding sites, the protein-protein interaction interface, and conformational changes of proteins. However, its application to GPCRs has been limited for various reasons, including the hydrophobic nature of GPCRs and the use of detergents in their preparation. In the present study, we tested the application of bicelles as a means of solubilizing GPCRs for HDX-MS studies. GPCRs (e.g., β2-adrenergic receptor [β2AR], μ-opioid receptor, and protease-activated receptor 1) solubilized in bicelles produced better sequence coverage (greater than 90%) than GPCRs solubilized in n-dodecyl-β-D-maltopyranoside (DDM), suggesting that bicelles are a more effective method of solubilization for HDX-MS studies. The HDX-MS profile of β2AR in bicelles showed that transmembrane domains (TMs) undergo lower deuterium uptake than intracellular or extracellular regions, which is consistent with the fact that the TMs are highly ordered and embedded in bicelles. The overall HDX-MS profiles of β2AR solubilized in bicelles and in DDM were similar except for intracellular loop 3. Interestingly, we detected EX1 kinetics, an important phenomenon in protein dynamics, at the C-terminus of TM6 in β2AR. In conclusion, we suggest the application of bicelles as a useful method for solubilizing GPCRs for conformational analysis by HDX-MS.

  16. Expressions for Form Factors for Inelastic Scattering and Charge Exchange in Plane-Wave, Distorted-Wave, and Coupled-Channels Reaction Formalisms

    SciTech Connect

    Dietrich, F S

    2006-09-25

    This document is intended to facilitate calculation of inelastic scattering and charge-exchange cross sections in a variety of reaction models, including the plane-wave and distorted-wave approximations and the full coupled-channels treatments. Expressions are given for the coupling potentials between the relevant channels in both coordinate and momentum space. In particular, it is expected that the plane-wave calculations should be useful as a check on the correctness of coupled-channels calculations. The Fourier transform methods used to calculate the plane-wave approximation cross sections are also intended to be used to generate the transition potentials for coupled-channels codes, using a folding model with local effective interactions. Specific expressions are given for calculating transition densities for the folding model in the random phase approximation (RPA).

  17. Ion-exchange reactions on clay minerals coupled with advection/dispersion processes. Application to Na+/Ca2+ exchange on vermiculite: Reactive-transport modeling, batch and stirred flow-through reactor experiments

    NASA Astrophysics Data System (ADS)

    Tertre, E.; Hubert, F.; Bruzac, S.; Pacreau, M.; Ferrage, E.; Prêt, D.

    2013-07-01

    The present study aims at testing the validity of using an Na+/Ca2+ ion-exchange model, derived from batch data to interpret experimental Ca2+-for-Na+ exchange breakthrough curves obtained on vermiculite (a common swelling clay mineral in surface environments). The ion-exchange model was constructed considering the multi-site nature of the vermiculite surface as well as the exchange of all aqueous species (Mg2+ derived from the dissolution of the solid and H+). The proposed ion-exchange model was then coupled with a transport model, and the predicted breakthrough curves were compared with the experimental ones obtained using a well stirred flow-through reactor. For a given solute residence time in the reactor (typically 50 min), our thermodynamic model based on instantaneous equilibrium was found to accurately reproduce several of the experimental breakthrough curves, depending on the Na+ and Ca2+ concentrations of the influents pumped through the reactor. However the model failed to reproduce experimental breakthrough curves obtained at high flow rates and low chemical gradient between the exchanger phase and the solution. An alternative model based on a hybrid equilibrium/kinetic approach was thus used and allowed predicting experimental data. Based on these results, we show that a simple parameter can be used to differentiate between thermodynamic and kinetic control of the exchange reaction with water flow. The results of this study are relevant for natural systems where two aquatic environments having contrasted chemistries interact. Indeed, the question regarding the attainment of a full equilibrium in such a system during the contact time of the aqueous phase with the particle/colloid remains most often open. In this context, we show that when a river (a flow of fresh water) encounters marine colloids, a systematic full equilibrium can be assumed (i.e., the absence of kinetic effects) when the residence time of the solute in 1 m3 of the system is ⩾6200 h.

  18. Target-guided separation of Bougainvillea glabra betacyanins by direct coupling of preparative ion-pair high-speed countercurrent chromatography and electrospray ionization mass-spectrometry.

    PubMed

    Jerz, Gerold; Wybraniec, Sławomir; Gebers, Nadine; Winterhalter, Peter

    2010-07-01

    In this study, preparative ion-pair high-speed countercurrent chromatography was directly coupled to an electrospray ionization mass-spectrometry device (IP-HSCCC/ESI-MS-MS) for target-guided fractionation of high molecular weight acyl-oligosaccharide linked betacyanins from purple bracts of Bougainvillea glabra (Nyctaginaceae). The direct identification of six principal acyl-oligosaccharide linked betacyanins in the mass range between m/z 859 and m/z 1359 was achieved by positive ESI-MS ionization and gave access to the genuine pigment profile already during the proceeding of the preparative separation. Inclusively, all MS/MS-fragmentation data were provided during the chromatographic run for a complete analysis of substitution pattern. On-line purity evaluation of the recovered fractions is of high value in target-guided screening procedures and for immediate decisions about suitable fractions used for further structural analysis. The applied preparative hyphenation was shown to be a versatile screening method for on-line monitoring of countercurrent chromatographic separations of polar crude pigment extracts and also traced some minor concentrated compounds. For the separation of 760mg crude pigment extract the biphasic solvent system tert.-butylmethylether/n-butanol/acetonitrile/water 2:2:1:5 (v/v/v/v) was used with addition of ion-pair forming reagent trifluoroacetic acid. The preparative HSCCC-eluate had to be modified by post-column addition of a make-up solvent stream containing formic acid to reduce ion-suppression caused by trifluoroacetic acid and later significantly maximized response of ESI-MS/MS detection of target substances. A variable low-pressure split-unit guided a micro-eluate to the ESI-MS-interface for sensitive and direct on-line detection, and the major volume of the effluent stream was directed to the fraction collector for preparative sample recovery. The applied make-up solvent mixture significantly improved smoothness of the continuously

  19. Spectroscopic and magnetic studies of erbium(III)-TEMPO complex as a potential single-molecule magnet: Interplay of the crystal-field and exchange coupling effects

    NASA Astrophysics Data System (ADS)

    Karbowiak, Mirosław; Rudowicz, Czesław; Nakamura, Takeshi; Murakami, Rina; Ishida, Takayuki

    2016-10-01

    Crystallographic, spectroscopic, and magnetic studies of three-center systems: lanthanoid-Ln3+ ions doubly-coordinated by TEMPO (2,2,6,6-tetramethylpiperidin-1-oxyl) radicals [Ln-TEMPO2] are reported. The temperature dependence of alternating-current magnetic susceptibility indicates the single-molecule-magnet behavior of Er-TEMPO2, exhibiting relatively slow magnetization relaxation. Well-resolved absorption spectra were obtained only for Er-TEMPO2. Other samples yielded spectra not amenable for meaningful interpretation. The crystal-field parameters (CFPs) determined from the measured Er3+-energy levels served as starting CFPs for fitting the direct-current magnetic susceptibility result. Compatibility of the so-determined and fine-tuned CFPs, and interplay between crystal-field-related effects and exchange-coupling effects are considered. Exchange couplings in Ln-TEMPO2 appear antiferromagnetic and unexpectedly large.

  20. Coriolis coupling as a source of non-RRKM effects in triatomic near-symmetric top molecules: Diffusive intramolecular energy exchange between rotational and vibrational degrees of freedom.

    PubMed

    Kryvohuz, M; Marcus, R A

    2010-06-14

    A classical theory is proposed to describe the non-RRKM effects in activated asymmetric top triatomic molecules observed numerically in classical molecular dynamics simulations of ozone. The Coriolis coupling is shown to result in an effective diffusive energy exchange between the rotational and vibrational degrees of freedom. A stochastic differential equation is obtained for the K-component of the rotational angular momentum that governs the diffusion.

  1. Magnetic properties of weakly exchange-coupled high spin Co(II) ions in pseudooctahedral coordination evaluated by single crystal X-band EPR spectroscopy and magnetic measurements.

    PubMed

    Neuman, Nicolás I; Winkler, Elín; Peña, Octavio; Passeggi, Mario C G; Rizzi, Alberto C; Brondino, Carlos D

    2014-03-01

    We report single-crystal X-band EPR and magnetic measurements of the coordination polymer catena-(trans-(μ2-fumarato)tetraaquacobalt(II)), 1, and the Co(II)-doped Zn(II) analogue, 2, in different Zn:Co ratios. 1 presents two magnetically inequivalent high spin S = 3/2 Co(II) ions per unit cell, named A and B, in a distorted octahedral environment coordinated to four water oxygen atoms and trans coordinated to two carboxylic oxygen atoms from the fumarate anions, in which the Co(II) ions are linked by hydrogen bonds and fumarate molecules. Magnetic susceptibility and magnetization measurements of 1 indicate weak antiferromagnetic exchange interactions between the S = 3/2 spins of the Co(II) ions in the crystal lattice. Oriented single crystal EPR experiments of 1 and 2 were used to evaluate the molecular g-tensor and the different exchange coupling constants between the Co(II) ions, assuming an effective spin S′= 1/2. Unexpectedly, the eigenvectors of the molecular g-tensor were not lying along any preferential bond direction, indicating that, in high spin Co(II) ions in roughly octahedral geometry with approximately axial EPR signals, the presence of molecular pseudo axes in the metal site does not determine preferential directions for the molecular g-tensor. The EPR experiment and magnetic measurements, together with a theoretical analysis relating the coupling constants obtained from both techniques, allowed us to evaluate selectively the exchange coupling constant associated with hydrogen bonds that connect magnetically inequivalent Co(II) ions (|JAB(1/2)| = 0.055(2) cm(–1)) and the exchange coupling constant associated with a fumarate bridge connecting equivalent Co(II) ions (|JAA(1/2)| ≈ 0.25 (1) cm(–1)), in good agreement with the average J(3/2) value determined from magnetic measurements.

  2. Determination of microamounts of hafnium in zirconium using inductively coupled plasma atomic emission spectrometry and inductively coupled plasma mass spectrometry during their separation by ion exchange on Diphonix chelating resin.

    PubMed

    Smolik, Marek; Jakóbik-Kolon, Agata

    2009-04-01

    Inductively coupled plasma atomic emission spectrometry (ICP-AES) and inductively coupled plasma mass spectrometry (ICPMS) methods were applied to check the possibility of determination of hafnium in zirconium at a level lower than 100 ppm. A zirconium matrix of hafnium content lower than 10 ppm was obtained using a worked-out separation method exploiting ion exchange on Diphonix resin. Both methods give results in good agreement with each other as well as with those for certified reference material BCR-098 (Zircaloy-4). They were utilized in determination of Hf in the samples collected during separation of microamounts of hafnium from zirconium by the mentioned ion exchange. These results proved the earlier described method of separation on Diphonix resin to be effective even when the initial concentration of hafnium in zirconium decreases from 2.4% to 0.0082%.

  3. High-performance liquid chromatography of selenium compounds utilizing perfluorinated carboxylic acid ion-pairing agents and inductively coupled plasma and electrospray ionization mass spectrometric detection.

    PubMed

    Kotrebai, M; Tyson, J F; Block, E; Uden, P C

    2000-01-01

    Increasing speciation demands in clinical chemistry, toxicology and nutrition have made the determination of the total elements in a sample inadequate; the amount of an element and the chemical forms in which it is present need to be known. Inductively coupled plasma mass spectrometry (ICP-MS) was used after high-performance liquid chromatographic (HPLC) separation, as was electrospray ionization mass spectrometry (ESI-MS). The effect of variation of the number of carbon atoms in perfluorinated carboxylic acids used as ion-pairing agents for the separation of selenium compounds was examined. Trifluoroacetic acid (0.1%), pentafluoropropanoic acid (0.1%) or heptafluorobutanoic acid (0.1%; HFBA) were alternatively used as additives to methanol-water (1:99, v/v) solutions as mobile phases. Reversed-phase HPLC-ICP-MS with 0.1% HFBA in the mobile phase allowed more than 20 selenium compounds to be separated in 70 min in an isocratic elution mode; the separation of natural selenium-enriched sample extracts was examined and explained. The pH of the 0.1% HFBA solution was modified with hydrochloric acid or ammonia and the pH of the sample extracts before injection was modified in order to overcome unwanted double peak formation in the chromatograms of sample extracts. Oxidations of standard gamma-glutamyl-Se-methylselenocysteine and Se-methylselenocysteine were carried out using 30% H2O2 solution and identifications of selenium-containing oxidation products were made using HPLC-ICP-MS and HPLC-ESI-MS. The principal organic oxidation product in both cases was methaneseleninic acid (MeSeO2H).

  4. Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory

    SciTech Connect

    Fransson, Thomas; Norman, Patrick; Coriani, Sonia; Christiansen, Ove

    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 {pi}-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 {pi}*-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 {pi}*-peak separations due to spectral compressions, a characteristic which is inherent to this

  5. Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

    PubMed

    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

  6. Study of the size-based environmental availability of metals associated to natural organic matter by stable isotope exchange and quadrupole inductively coupled plasma mass spectrometry coupled to asymmetrical flow field flow fractionation.

    PubMed

    Laborda, F; Ruiz-Beguería, S; Bolea, E; Castillo, J R

    2011-07-01

    The determination of the isotopically exchangeable fraction of metals in environmental solid samples (soils, composts, sediments, sludges, etc.) is used to know the amount of metal potentially available (E-value). Stable isotopes can be used for determination of E-values through the analysis of the aqueous phases from spiked suspensions. However, the presence of isotopically non-exchangeable metal forms in the aqueous phase led to overestimation of the E-values. In this paper, a method for monitoring the degree of isotopic exchange in function of the molecular mass and/or size of the metal form has been developed based on the direct coupling of asymmetrical flow field flow fractionation (AsFlFFF) with inductively coupled plasma mass spectrometry (ICP-MS) for on-line isotope ratio measurements. ICP-MS data acquisition parameters were stressed to avoid degradation of isotope ratio precision. Two sets of fractionation conditions were selected: a colloids separation, which allowed the separation of substances up to 1 μm, and a macromolecules separation, designed to resolve small size substances up to 50 kDa. The methodology was applied to study the environmental availability of copper and lead in compost samples, where metals are mainly associated to different forms of organic matter. No significant differences on isotopic exchange were observed over the size range studied, validating the E-values determined by direct analysis of the aqueous phases.

  7. Compact heat and mass exchangers of the plate fin type in thermal sorption systems: Application in an absorption heat pump with the working pair CH3OH-LiBr/ZnBr2

    NASA Astrophysics Data System (ADS)

    Becker, Harry

    The possible application of Compact Heat and Mass Exchangers (CHME) in a gas fired Absorption Heat Pump (AHP) for domestic heating is studied. The above mentioned heat and mass exchangers are of the plate type. The space between the parallel and plain plates is filled up with corrugated plates of a certain height. The plain and finned plates are stacked and welded together. This gives a heat and mass exchanger which is very compact, expressed by a high area density (m2/m3). This leads to heat and mass transfer processes with small temperature and concentration differences. For testing purposes a pilot plant was built using the above type of components in order to test their heat and/or mass transfer performance. Only the generator is of the Shell And Tube (SAT) type. As the working pair, CH3OH - LiBr/ ZnBr2 was chosen, with the alcohol as the solvent and the salt mixture as the absorbent. This leads to sub atmospheric working pressures with only solvent in the vapor phase. Three series of experiments have been carried out, during which the input parameters were varied over a certain range. It is concluded that the plate fin CHMES are very suitable for application in an AHP for domestic heating purposes.

  8. Coupled heterocellular arrays in the brain.

    PubMed

    Fróes, M M; Menezes, J R L

    2002-11-01

    Gap junctions are transcellular pathways that enable a dynamic metabolic coupling and a selective exchange of biological signaling mediators. Throughout the course of the brain development these intercellular channels are assembled into regionally and temporally defined patterns. The present review summarizes the possibilities of heterocellular gap junctional pairing in the brain parenchyma, involving glial cells, neurons and neural precursors as well as it highlights on the meaningfulness of these coupled arrays to the concept of brain functional compartments.

  9. Pulsed electron spin nutation spectroscopy of weakly exchange-coupled biradicals: a general theoretical approach and determination of the spin dipolar interaction.

    PubMed

    Ayabe, Kazuki; Sato, Kazunobu; Nishida, Shinsuke; Ise, Tomoaki; Nakazawa, Shigeaki; Sugisaki, Kenji; Morita, Yasushi; Toyota, Kazuo; Shiomi, Daisuke; Kitagawa, Masahiro; Takui, Takeji

    2012-07-01

    Weakly exchange-coupled biradicals have attracted much attention in terms of their DNP application in NMR spectroscopy for biological systems or the use of synthetic electron-spin qubits. Pulse-ESR based electron spin nutation (ESN) spectroscopy applied to biradicals is generally treated as transition moment spectroscopy from the theoretical side, illustrating that it is a powerful and facile tool to determine relatively short distances between weakly exchange-coupled electron spins. The nutation frequency as a function of the microwave irradiation strength ω(1) (angular frequency) for any cases of weakly exchange-coupled systems can be classified into three categories; D(12) (spin dipolar interaction)-driven, Δg-driven and ω(1)-driven nutation behaviour with the increasing strength of ω(1). For hetero-spin biradicals, Δg effects can be a dominating characteristic in the biradical nutation spectroscopy. Two-dimensional pulse-based electron spin nutation (2D-ESN) spectroscopy operating at the X-band can afford to determine small values of D(12) in weakly exchange-coupled biradicals in rigid glasses. The analytical expressions derived here for ω(1)-dependent nutation frequencies are based on only four electronic spin states relevant to the biradicals, while real biradical systems often have sizable hyperfine interactions. Thus, we have evaluated nuclear hyperfine effects on the nutation frequencies to check the validity of the present theoretical treatment. The experimental spin dipolar coupling of a typical TEMPO-based biradical 1, (2,2,6,6-tetra[((2)H(3))methyl]-[3,3-(2)H(2),4-(2)H(1),5,5-(2)H(2)]piperidin-N-oxyl-4-yl)(2,2,6,6-tetra[((2)H(3))methyl]-[3,3-(2)H(2),4-(2)H(1),5,5-(2)H(2),(15)N]piperidin-(15)N-oxyl-4-yl) terephthalate in a toluene glass, with a distance of 1.69 nm between the two spin sites is D(12) = -32 MHz (the effect of the exchange coupling J(12) is vanishing due to the homo-spin sites of 1, i.e.Δg = 0), while 0 < |J(12)|≦ 1.0 MHz as

  10. Orbital-optimized coupled-electron pair theory and its analytic gradients: Accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions

    NASA Astrophysics Data System (ADS)

    Bozkaya, Uǧur; Sherrill, C. David

    2013-08-01

    Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N6) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm-1) is fortuitously even better than that of CCSD(T) (50 cm-1), while the MAEs of CEPA(0) (184 cm-1) and CCSD (84 cm-1) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol-1, which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol-1), and comparing to MP2 (7.7 kcal mol-1) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is only 0.1 kcal

  11. Orbital-optimized coupled-electron pair theory and its analytic gradients: accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions.

    PubMed

    Bozkaya, Uğur; Sherrill, C David

    2013-08-01

    Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N(6)) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm(-1)) is fortuitously even better than that of CCSD(T) (50 cm(-1)), while the MAEs of CEPA(0) (184 cm(-1)) and CCSD (84 cm(-1)) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol(-1), which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol(-1)), and comparing to MP2 (7.7 kcal mol(-1)) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is

  12. Strong perpendicular exchange bias in epitaxial La(0.7)Sr(0.3)MnO3:BiFeO3 nanocomposite films through vertical interfacial coupling.

    PubMed

    Zhang, Wenrui; Chen, Aiping; Jian, Jie; Zhu, Yuanyuan; Chen, Li; Lu, Ping; Jia, Quanxi; MacManus-Driscoll, Judith L; Zhang, Xinghang; Wang, Haiyan

    2015-09-01

    An exchange bias effect with perpendicular anisotropy is of great interest owing to potential applications such as read heads in magnetic storage devices with high thermal stability and reduced dimensions. Here we report a novel approach for achieving perpendicular exchange bias by orienting the ferromagnetic/antiferromagnetic coupling in the vertical geometry through a unique vertically aligned nanocomposite (VAN) design. Our results demonstrate robust perpendicular exchange bias phenomena in micrometer-thick films employing a prototype material system of antiferromagnetic BiFeO3 and ferromagnetic La0.7Sr0.3MnO3. The unique response of exchange bias to a perpendicular magnetic field reveals the existence of exchange coupling along their vertical heterointerfaces, which exhibits a strong dependence on their strain states. This VAN approach enables a large selection of material systems for achieving perpendicular exchange bias, which could lead to advanced spintronic devices.

  13. Pick a Pair. Pancake Pairs

    ERIC Educational Resources Information Center

    Miller, Pat

    2005-01-01

    Cold February weather and pancakes are a traditional pairing. Pancake Day began as a way to eat up the foods that were abstained from in Lent--traditionally meat, fat, eggs and dairy products. The best-known pancake event is The Pancake Day Race in Buckinghamshire, England, which has been run since 1445. This column describes pairs of books that…

  14. Coupled channel calculations for electron-positron pair production in collisions of heavy ionsThis work is part of the doctoral thesis of Matthias Gail, Giessen (D26) 2001.

    NASA Astrophysics Data System (ADS)

    Gail, Matthias; Grün, Norbert; Scheid, Werner

    2003-04-01

    Coupled channel calculations are performed for electron-positron pair production in relativistic collisions of heavy ions. For this purpose the wavefunction is expanded into different types of basis sets consisting of atomic wavefunctions centred around the projectile ion only and around both of the colliding nuclei. The results are compared with experimental data from Belkacem et al (1997 Phys. Rev. A 56 2807). This work is part of the doctoral thesis of Matthias Gail, Giessen (D26) 2001.

  15. Material Studies Related to the Use of NaK Heat Exchangers Coupled to Stirling Heater Heads

    NASA Technical Reports Server (NTRS)

    Locci, Ivan E.; Bowman, Cheryl L.; Geng, Steven M.; Robbie, Malcolm G.

    2011-01-01

    NASA has been supporting design studies and technology development that could provide power to an outpost on the Moon, Mars, or an asteroid. Technology development efforts have included fabrication and evaluation of components used in a Stirling engine power conversion system. Destructive material evaluation was performed on a NaK shell heat exchanger that was developed by the NASA Glenn Research Center (GRC) and integrated with a commercial 1 kWe Stirling convertor from Sunpower Incorporated. The NaK Stirling test demonstrated Stirling convertor electrical power generation using a pumped liquid metal heat source under thermal conditions that represent the heat exchanger liquid metal loop in a Fission Power Systems (FPS) reactor. The convertors were operated for a total test time of 66 hr at a maximum temperature of 823 K. After the test was completed and NaK removed, the heat exchanger assembly was sectioned to evaluate any material interactions with the flowing liquid metal. Several dissimilar-metal braze joint options, crucial for the heat exchanger transfer path, were also investigated. A comprehensive investigation was completed and lessons learned for future heat exchanger development efforts are discussed.

  16. Bistable Magnetoresistance Switching in Exchange-Coupled CoFe2O4-Fe3O4 Binary Nanocrystal Superlattices by Self-Assembly and Thermal Annealing

    SciTech Connect

    Chen, J; Ye, XC; Oh, SJ; Kikkawa, JM; Kagan, CR; Murray, CB

    2013-02-01

    Self-assembly of multicomponent nanocrystal superlattices provides a modular approach to the design of metamaterials by choosing constituent nanocrystal building blocks with desired physical properties and engineering the interparticle coupling. In this work, we report the self-assembly of binary nanocrystal superlattices composed of magnetically hard CoFe2O4 nanocrystals and magnetically soft Fe3O4 nanocrystals. Both NaZn13- and MgZn2-type CoFe2O4-Fe3O4 binary nanocrystal superlattices have been formed by the liquid-air interfacial assembly approach. Exchange coupling is achieved in both types of binary superlattices after thermal annealing under vacuum at 400 degrees C. The exchange-coupled CoFe2O4-Fe3O4 binary nanocrystal superlattices show single-phase magnetization switching behavior and magnetoresistance switching behavior below 200 K. The NaZn13-type CoFe2O4-Fe3O4 binary nanocrystal superlattices annealed at 500 degrees C even exhibit bistable magnetoresistance switching behavior at room temperature constituting a simple nonvolatile memory function.

  17. Direct observation of long-distance coherent superexchange spin coupling in a quantum dot arraySpin Exchange oscillations between distant quantum dots

    NASA Astrophysics Data System (ADS)

    Fujita, Takafumi; Baart, Tim; Reichl, Christian; Wegscheider, Werner; Vandersypen, Lieven

    Interactions mediated by long-range quantum coherence lie at the heart of important phenomena in many different fields. Charge transfer during oxidative stress in DNA, reactions in photosynthetic molecules, and behaviour of cuprate superconductors are all described by tunnelling via virtual hopping. Such mechanism may also provide new ways of using quantum dots for fault tolerant quantum information processing. In the presence of long-range tunnel coupling mediated by virtual occupation of intermediate levels, superexchange interactions can induce coherent oscillations between two distant electron spins. We implement this scheme in a linear array of three quantum dots with one electron on each of the outer dots. We observe coherent exchange oscillations between the two spins, and the oscillation frequency is controlled by the detuning of the electrochemical potential of the dot in between. Spin exchange at a distance may provide a new route for scaling up electron spin qubits using quantum dots.

  18. Parameterization of the coupling CO2 and H2O gas exchange model at the leaf scale of Populus euphratica tree

    NASA Astrophysics Data System (ADS)

    Zhu, G.; Li, X.; Su, Y.; Huang, C.

    2009-10-01

    The following two models were combined to predict simultaneously CO2 and H2O gas exchange at the leaf scale of Populus euphratica: a Farquhar et al. type biochemical sub-model of photosynthesis (Farquhar et al., 1980) and a Ball et al. type stomatal conductance sub-model (Ball et al., 1987). The photosynthesis parameters, Vcmax, Jmax, TPU, and Rd (maximum carboxylation rate allowed by ribulose 1·5-bisphosphate carboxylase/oxygenase (Rubisco), rate of phosynthetic electron transport, triose phosphate use, and day respiration) at the measurement temperature were determined by using the genetic algorithm (GA) method based on A/Ci data sets. The stomatal conductance sub-model was calibrated independently. Prediction of net photosynthesis by the coupled model agreed well with the validation data, but the model tended to underestimate rates of transpiration. Overall, the combined model generally captured the diurnal patterns of CO2and H2O exchange resulting from variation in temperature and irradiation.

  19. Single-shot readout and relaxation of singlet and triplet states in exchange-coupled 31P electron spins in silicon.

    PubMed

    Dehollain, Juan P; Muhonen, Juha T; Tan, Kuan Y; Saraiva, Andre; Jamieson, David N; Dzurak, Andrew S; Morello, Andrea

    2014-06-13

    We present the experimental observation of a large exchange coupling J ≈ 300 μeV between two (31)P electron spin qubits in silicon. The singlet and triplet states of the coupled spins are monitored in real time by a single-electron transistor, which detects ionization from tunnel-rate-dependent processes in the coupled spin system, yielding single-shot readout fidelities above 95%. The triplet to singlet relaxation time T(1) ≈ 4 ms at zero magnetic field agrees with the theoretical prediction for J-coupled 31P dimers in silicon. The time evolution of the two-electron state populations gives further insight into the valley-orbit eigenstates of the donor dimer, valley selection rules and relaxation rates, and the role of hyperfine interactions. These results pave the way to the realization of two-qubit quantum logic gates with spins in silicon and highlight the necessity to adopt gating schemes compatible with weak J-coupling strengths. PMID:24972221

  20. Single-shot readout and relaxation of singlet and triplet states in exchange-coupled 31P electron spins in silicon.

    PubMed

    Dehollain, Juan P; Muhonen, Juha T; Tan, Kuan Y; Saraiva, Andre; Jamieson, David N; Dzurak, Andrew S; Morello, Andrea

    2014-06-13

    We present the experimental observation of a large exchange coupling J ≈ 300 μeV between two (31)P electron spin qubits in silicon. The singlet and triplet states of the coupled spins are monitored in real time by a single-electron transistor, which detects ionization from tunnel-rate-dependent processes in the coupled spin system, yielding single-shot readout fidelities above 95%. The triplet to singlet relaxation time T(1) ≈ 4 ms at zero magnetic field agrees with the theoretical prediction for J-coupled 31P dimers in silicon. The time evolution of the two-electron state populations gives further insight into the valley-orbit eigenstates of the donor dimer, valley selection rules and relaxation rates, and the role of hyperfine interactions. These results pave the way to the realization of two-qubit quantum logic gates with spins in silicon and highlight the necessity to adopt gating schemes compatible with weak J-coupling strengths.

  1. Tunable High-Field Magnetization in Strongly Exchange-Coupled Freestanding Co/CoO Core/Shell Coaxial Nanowires.

    PubMed

    Salazar-Alvarez, German; Geshev, Julian; Agramunt-Puig, Sebastià; Navau, Carles; Sanchez, Alvaro; Sort, Jordi; Nogués, Josep

    2016-08-31

    The exchange bias properties of Co/CoO coaxial core/shell nanowires were investigated with cooling and applied fields perpendicular to the wire axis. This configuration leads to unexpected exchange-bias effects. First, the magnetization value at high fields is found to depend on the field-cooling conditions. This effect arises from the competition between the magnetic anisotropy and the Zeeman energies for cooling fields perpendicular to the wire axis. This allows imprinting predefined magnetization states to the antiferromagnetic (AFM) shell, as corroborated by micromagnetic simulations. Second, the system exhibits a high-field magnetic irreversibility, leading to open hysteresis loops attributed to the AFM easy axis reorientation during the reversal (effect similar to athermal training). A distinct way to manipulate the high-field magnetization in exchange-biased systems, beyond the archetypical effects, was thus experimentally and theoretically demonstrated. PMID:27502034

  2. Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.

    PubMed

    Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P; Pink, Maren; Anderson, Joseph R; Raghavachari, Krishnan; Flood, Amar H

    2015-08-01

    Cooperative binding of ion pairs to receptors is crucial for the manipulation of salts, but a comprehensive understanding of cooperativity has been elusive. To this end, we combine experiment and theory to quantify ion-pair binding and to separate allostery from electrostatics to understand their relative contributions. We designed aryl-triazole-ether macrocycles (MC) to be semiflexible, which allows ion pairs (NaX; X = anion) to make contact, and to be monocyclic to simplify analyses. A multiequilibrium model allows us to quantify, for the first time, the experimental cooperativity, α, for the equilibrium MC·Na(+) + MC·X(-) ⇌ MC·NaX + MC, which is associated with contact ion-pair binding of NaI (α = 1300, ΔGα = -18 kJ mol(-1)) and NaClO4 (α = 400, ΔGα = -15 kJ mol(-1)) in 4:1 dichloromethane-acetonitrile. We used accurate energies from density functional theory to deconvolute how the electrostatic effects and the allosteric changes in receptor geometry individually contribute to cooperativity. Computations, using a continuum solvation model (dichloromethane), show that allostery contributes ∼30% to overall positive cooperativity. The calculated trend of electrostatic cooperativity using pairs of spherical ions (NaCl > NaBr > NaI) correlates to experimental observations (NaI > NaClO4). We show that intrinsic ionic size, which dictates charge separation distance in contact ion pairs, controls electrostatic cooperativity. This finding supports the design principle that semiflexible receptors can facilitate optimal electrostatic cooperativity. While Coulomb's law predicts the size-dependent trend, it overestimates electrostatic cooperativity; we suggest that binding of the individual anion and cation to their respective binding sites dilutes their effective charge. This comprehensive understanding is critical for rational designs of ion-pair receptors for the manipulation of salts. PMID:26207611

  3. Difference in fibril core stability between two tau four-repeat domain proteins: a hydrogen-deuterium exchange coupled to mass spectrometry study.

    PubMed

    Ramachandran, Gayathri; Udgaonkar, Jayant B

    2013-12-10

    One of the signatures of Alzheimer's disease and tauopathies is fibrillization of the microtubule-associated protein tau. The purpose of this study was to compare the high-resolution structure of fibrils formed by two different tau four-repeat domain constructs, tau4RD and tauK18, using hydrogen-deuterium exchange coupled to mass spectrometry as a tool. While the two fibrils are found to be constructed on similar structural principles, the tauK18 fibril has a slightly more stable core. This difference in fibril core stability appears to be reflective of the mechanistic differences in the aggregation pathways of the two proteins. PMID:24256615

  4. Seeking to quantify the ferromagnetic-to-antiferromagnetic interface coupling resulting in exchange bias with various thin-film conformations

    SciTech Connect

    Hsiao, C. H.; Wang, S.; Ouyang, H.; Desautels, R. D.; Lierop, J. van; Lin, K. W.

    2014-08-07

    Ni{sub 3}Fe/(Ni, Fe)O thin films with bilayer and nanocrystallite dispersion morphologies are prepared with a dual ion beam deposition technique permitting precise control of nanocrystallite growth, composition, and admixtures. A bilayer morphology provides a Ni{sub 3}Fe-to-NiO interface, while the dispersion films have different mixtures of Ni{sub 3}Fe, NiO, and FeO nanocrystallites. Using detailed analyses of high resolution transmission electron microscopy images with Multislice simulations, the nanocrystallites' structures and phases are determined, and the intermixing between the Ni{sub 3}Fe, NiO, and FeO interfaces is quantified. From field-cooled hysteresis loops, the exchange bias loop shift from spin interactions at the interfaces are determined. With similar interfacial molar ratios of FM-to-AF, we find the exchange bias field essentially unchanged. However, when the interfacial ratio of FM to AF was FM rich, the exchange bias field increases. Since the FM/AF interface ‘contact’ areas in the nanocrystallite dispersion films are larger than that of the bilayer film, and the nanocrystallite dispersions exhibit larger FM-to-AF interfacial contributions to the magnetism, we attribute the changes in the exchange bias to be from increases in the interfacial segments that suffer defects (such as vacancies and bond distortions), that also affects the coercive fields.

  5. The coupling between stability and ion pair formation in magnesium electrolytes from first-principles quantum mechanics and classical molecular dynamics.

    PubMed

    Rajput, Nav Nidhi; Qu, Xiaohui; Sa, Niya; Burrell, Anthony K; Persson, Kristin A

    2015-03-11

    In this work we uncover a novel effect between concentration dependent ion pair formation and anion stability at reducing potentials, e.g., at the metal anode. Through comprehensive calculations using both first-principles as well as well-benchmarked classical molecular dynamics over a matrix of electrolytes, covering solvents and salt anions with a broad range in chemistry, we elucidate systematic correlations between molecular level interactions and composite electrolyte properties, such as electrochemical stability, solvation structure, and dynamics. We find that Mg electrolytes are highly prone to ion pair formation, even at modest concentrations, for a wide range of solvents with different dielectric constants, which have implications for dynamics as well as charge transfer. Specifically, we observe that, at Mg metal potentials, the ion pair undergoes partial reduction at the Mg cation center (Mg(2+) → Mg(+)), which competes with the charge transfer mechanism and can activate the anion to render it susceptible to decomposition. Specifically, TFSI(-) exhibits a significant bond weakening while paired with the transient, partially reduced Mg(+). In contrast, BH4(-) and BF4(-) are shown to be chemically stable in a reduced ion pair configuration. Furthermore, we observe that higher order glymes as well as DMSO improve the solubility of Mg salts, but only the longer glyme chains reduce the dynamics of the ions in solution. This information provides critical design metrics for future electrolytes as it elucidates a close connection between bulk solvation and cathodic stability as well as the dynamics of the salt.

  6. The coupling between stability and ion pair formation in magnesium electrolytes from first-principles quantum mechanics and classical molecular dynamics

    SciTech Connect

    Rajput, Nav Nidhi; Qu, Xiaohuui; Sa, Niya; Burrell, Anthony K.; Persson, Kristin A.

    2015-03-11

    In this work we uncover a novel effect between concentration dependent ion pair formation and anion stability at reducing potentials, e.g., at the metal anode. Through comprehensive calculations using both first-principles as well as well-benchmarked classical molecular dynamics over a matrix of electrolytes, covering solvents and salt anions with a broad range in chemistry, we elucidate systematic correlations between molecular level interactions and composite electrolyte properties, such as electrochemical stability, solvation structure, and dynamics. We find that Mg electrolytes are highly prone to ion pair formation, even at modest concentrations, for a wide range of solvents with different dielectric constants, which have implications for dynamics as well as charge transfer. Specifically, we observe that, at Mg metal potentials, the ion pair undergoes partial reduction at the Mg cation center (Mg2+ -> Mg+), which competes with the charge transfer mechanism and can activate the anion to render it susceptible to decomposition. Specifically, TFSI exhibits a significant bond weakening while paired with the transient, partially reduced Mg+. In contrast, BH4 and BF4 are shown to be chemically stable in a reduced ion pair configuration. Furthermore, we observe that higher order glymes as well as DMSO improve the solubility of Mg salts, but only the longer glyme chains reduce the dynamics of the ions in solution. This information provides critical design metrics for future electrolytes as it elucidates a close connection between bulk solvation and cathodic stability as well as the dynamics of the salt.

  7. Evanescent straight tapered-fiber coupling of ultra-high Q optomechanical micro-resonators in a low-vibration helium-4 exchange-gas cryostat.

    PubMed

    Rivière, R; Arcizet, O; Schliesser, A; Kippenberg, T J

    2013-04-01

    We developed an apparatus to couple a 50-μm diameter whispering-gallery silica microtoroidal resonator in a helium-4 cryostat using a straight optical tapered-fiber at 1550 nm wavelength. On a top-loading probe specifically adapted for increased mechanical stability, we use a specifically-developed "cryotaper" to optically probe the cavity, allowing thus to record the calibrated mechanical spectrum of the optomechanical system at low temperatures. We then demonstrate excellent thermalization of a 63-MHz mechanical mode of a toroidal resonator down to the cryostat's base temperature of 1.65 K, thereby proving the viability of the cryogenic refrigeration via heat conduction through static low-pressure exchange gas. In the context of optomechanics, we therefore provide a versatile and powerful tool with state-of-the-art performances in optical coupling efficiency, mechanical stability, and cryogenic cooling.

  8. On the limits of generalizability: applying resource exchange theory to gay relationship processes.

    PubMed

    Gaines, Stanley O; Henderson, Michael C

    2004-01-01

    In the present studies, we examined patterns of interpersonal resource exchange (E. B. Foa & U. G. Foa, 1980; U. G. Foa & E. B. Foa, 1974) among gay male and female couples. Study 1 was quantitative in nature, whereas Study 2 was qualitative in nature. In Study 1 (n's = 61 male couples and 54 female couples), we explicitly tested the hypotheses that partners in same-sex romantic relationships would exchange affection and respect positively and significantly; results indicated that affection (but not respect) was exchanged or reciprocated positively and significantly among gay male (but not gay female) pairs. In Study 2 (n's = 15 male couples and 15 female couples), we asked the research question, but did not test any formal hypotheses, as to whether same-sex romantic pairs would spontaneously invoke interpersonal resource exchange and other reinforcement processes when describing their relationships; results indicated that gay female (but not gay male) couples appeared to adopt a communal, rather than exchange, orientation toward their relationships with regard to displays of affection. Implications for the study of relationship processes among same-sex romantic pairs are discussed.

  9. Micromagnetic Simulations of Anisotropies in Coupled and Uncoupled Ferromagnetic Nanowire Systems

    PubMed Central

    Blachowicz, T.; Ehrmann, A.

    2013-01-01

    The influence of a variation of spatial relative orientations onto the coupling dynamics and subsequent magnetic anisotropies was modeled in ferromagnetic nanowires. The wires were analyzed in the most elementary configurations, thus, arranged in pairs perpendicular to each other, leading to one-dimensional (linear) and zero-dimensional (point-like) coupling. Different distances within each elementary pair of wires and between the pairs give rise to varying interactions between parallel and perpendicular wires, respectively. Simulated coercivities show an exchange of easy and hard axes for systems with different couplings. Additionally, two of the systems exhibit a unique switching behavior which can be utilized for developing new functionalities. PMID:24228005

  10. Thickness dependence of exchange coupling in epitaxial Fe3O4/CoFe2O4 soft/hard magnetic bilayers

    NASA Astrophysics Data System (ADS)

    Lavorato, G.; Winkler, E.; Rivas-Murias, B.; Rivadulla, F.

    2016-08-01

    Epitaxial magnetic heterostructures of (soft -) Fe3O4/(hard -) CoFe2O4(001 ) have been fabricated with a varying thicknesses of soft ferrite from 5 to 25 nm. We report a change in the regime of magnetic interaction between the layers from rigid-coupling to exchange-spring behavior, above a critical thickness of the soft magnetic Fe3O4 layer. We show that the symmetry and epitaxial matching between the spinel structures of CoFe2O4 and Fe3O4 at the interface stabilize the Verwey transition close to the bulk value even for 5-nm-thick Fe3O4 . The large interface exchange-coupling constant estimated from low-temperature M (H ) data confirmed the good quality of the ferrite-ferrite interface and the major role played by the interface in the magnetization dynamics. The results presented here constitute a model system for understanding the magnetic behavior of interfaces in core/shell nanoparticles and magnetic oxide-based spintronic devices.

  11. Resonantly paired fermionic superfluids

    NASA Astrophysics Data System (ADS)

    Gurarie, V.; Radzihovsky, L.

    2007-01-01

    We present a theory of a degenerate atomic Fermi gas, interacting through a narrow Feshbach resonance, whose position and therefore strength can be tuned experimentally, as demonstrated recently in ultracold trapped atomic gases. The distinguishing feature of the theory is that its accuracy is controlled by a dimensionless parameter proportional to the ratio of the width of the resonance to Fermi energy. The theory is therefore quantitatively accurate for a narrow Feshbach resonance. In the case of a narrow s-wave resonance, our analysis leads to a quantitative description of the crossover between a weakly paired BCS superconductor of overlapping Cooper pairs and a strongly paired molecular Bose-Einstein condensate of diatomic molecules. In the case of pairing via a p-wave resonance, that we show is always narrow for a sufficiently low density, we predict a detuning-temperature phase diagram, that in the course of a BCS-BEC crossover can exhibit a host of thermodynamically distinct phases separated by quantum and classical phase transitions. For an intermediate strength of the dipolar anisotropy, the system exhibits a px + i py paired superfluidity that undergoes a topological phase transition between a weakly coupled gapless ground state at large positive detuning and a strongly paired fully gapped molecular superfluid for a negative detuning. In two dimensions the former state is characterized by a Pfaffian ground state exhibiting topological order and non-Abelian vortex excitations familiar from fractional quantum Hall systems.

  12. Magnetic Interactions in the Copper Complex (L-Aspartato)(1,10-phenanthroline)copper(II) Hydrate. An Exchange-Coupled Extended System with Two Dissimilar Copper Ions.

    PubMed

    Brondino, Carlos D.; Calvo, Rafael; Atria, Ana María; Spodine, Evgenia; Nascimento, Otaciro R.; Peña, Octavio

    1997-07-01

    We report EPR measurements in single-crystal samples at the microwave frequencies 9.8 and 34.3 GHz and magnetic susceptibility measurements in polycrystalline samples for the ternary complex of copper with aspartic acid and phenanthroline, (L-aspartato)(1,10-phenanthroline)copper(II) hydrate. The crystal lattice of this compound is composed of two dissimilar copper ions identified as Cu(A) and Cu(B), which are in two types of copper chains called A and B, respectively, running parallel to the b crystal axis. The copper ions in the A chains are connected by the aspartic acid molecule, and those in the B chains by a chemical path that involves a carboxylate bridge and a hydrogen bond. Both chains are held together by a complex network of hydrogen bonds and by hydrophobic interactions between aromatic amines. Magnetic susceptibility data indicate a Curie-Weiss behavior in the studied temperature range (2-300 K). The EPR spectra at 9.8 GHz display a single exchange collapsed resonance for any magnetic field orientation, in the so-called strong exchange regime. Those at 34.3 GHz are within the so-called weak exchange regime and display two resonances which belong to each type of copper ion chain. The decoupling of the spectra at 34.3 GHz using a theory based on Anderson's model for the case of two weakly exchange coupled spins S = (1)/(2) allows one to obtain the angular variation of the squares of the g-factor and the peak-to-peak line width of each resonance. This model also allows one to evaluate the exchange parameter |J(AB)/k| = 2.7(6) mK associated with the chemical path connecting dissimilar copper ions. The line width data obtained for each component of the spectra at 34.3 GHz are analyzed in terms of a model based on Kubo and Tomita's theory, to obtain the exchange parameters |J(A)/k| = 0.77(2) K and |J(B)/k| = 1.44(2) K associated with the chemical paths connecting the similar copper ions of types A and B, respectively.

  13. Spin Exchange in Rydberg EIT

    NASA Astrophysics Data System (ADS)

    Nicholson, Travis; Thompson, Jeff; Liang, Qiyu; Cantu, Sergio; Venkatramani, Aditya; Pohl, Thomas; Choi, Soonwon; Lukin, Mikhail; Vuletic, Vladan

    2016-05-01

    The realization of strong optical nonlinearities between two photons has been a longstanding goal in quantum science. We achieve large single-photon-level nonlinearities with Rydberg EIT, which combines slow light techniques with strongly interacting Rydberg states. For two Rydberg atoms in the same state, a Van der Waals interaction is the dominant coupling mechanism. Inherently stronger dipole-dipole interactions are also possible between atoms in different Rydberg states. Using light storage and microwave resonances, we study the effect of dipole-dipole interactions in Rydberg EIT. We observe a coherent spin exchange effect for pairs of states dominated by dipole-dipole interactions. Spin exchange manifests as an increase in optical transmission through a cold Rubidium gas that is highly dissipative in the presence of Van der Waals interactions. We also observe a controlled π / 2 phase shift due to this effect, which paves the way for robust, universal all-optical quantum gates.

  14. Direct Imaging of an Order-to-disorder Transition in an Exchange-coupled CoO/Co Bilayer

    NASA Astrophysics Data System (ADS)

    Eom, Daejin

    2015-11-01

    Exchange bias was discovered in surface-oxidized cobalt particles six decade ago, yet its microscopic mechanism is still being debated because of the lack of atomic-scale measurements at the interfacial region between the CoO and the Co layers. Here, we report our atom-resolved measurements by using scanning tunneling microscopy/spectroscopy of an ultrathin CoO layer grown on a Co(0001) single crystal. We have found that the layer undergoes an order-to-disorder transition upon cooling from a crystalline structure at room temperature to a disordered, glassy state at low temperatures. Accordingly, its electronic state changes from a metallic character in the crystalline phase to an Efros-Shklovskii Coulomb gap state in the disordered one. These findings provide direct evidence that exchange bias in the CoO/Co heterostructure is mediated by the atomic-scale disorder in or the spin-glass-like phase of the CoO layer.

  15. Supercritical fluid chromatography coupled with in-source atmospheric pressure ionization hydrogen/deuterium exchange mass spectrometry for compound speciation.

    PubMed

    Cho, Yunju; Choi, Man-Ho; Kim, Byungjoo; Kim, Sunghwan

    2016-04-29

    An experimental setup for the speciation of compounds by hydrogen/deuterium exchange (HDX) with atmospheric pressure ionization while performing chromatographic separation is presented. The proposed experimental setup combines the high performance supercritical fluid chromatography (SFC) system that can be readily used as an inlet for mass spectrometry (MS) and atmospheric pressure photo ionization (APPI) or atmospheric pressure chemical ionization (APCI) HDX. This combination overcomes the limitation of an approach using conventional liquid chromatography (LC) by minimizing the amount of deuterium solvents used for separation. In the SFC separation, supercritical CO2 was used as a major component of the mobile phase, and methanol was used as a minor co-solvent. By using deuterated methanol (CH3OD), AP HDX was achieved during SFC separation. To prove the concept, thirty one nitrogen- and/or oxygen-containing standard compounds were analyzed by SFC-AP HDX MS. The compounds were successfully speciated from the obtained SFC-MS spectra. The exchange ions were observed with as low as 1% of CH3OD in the mobile phase, and separation could be performed within approximately 20min using approximately 0.24 mL of CH3OD. The results showed that SFC separation and APPI/APCI HDX could be successfully performed using the suggested method. PMID:27020885

  16. Supercritical fluid chromatography coupled with in-source atmospheric pressure ionization hydrogen/deuterium exchange mass spectrometry for compound speciation.

    PubMed

    Cho, Yunju; Choi, Man-Ho; Kim, Byungjoo; Kim, Sunghwan

    2016-04-29

    An experimental setup for the speciation of compounds by hydrogen/deuterium exchange (HDX) with atmospheric pressure ionization while performing chromatographic separation is presented. The proposed experimental setup combines the high performance supercritical fluid chromatography (SFC) system that can be readily used as an inlet for mass spectrometry (MS) and atmospheric pressure photo ionization (APPI) or atmospheric pressure chemical ionization (APCI) HDX. This combination overcomes the limitation of an approach using conventional liquid chromatography (LC) by minimizing the amount of deuterium solvents used for separation. In the SFC separation, supercritical CO2 was used as a major component of the mobile phase, and methanol was used as a minor co-solvent. By using deuterated methanol (CH3OD), AP HDX was achieved during SFC separation. To prove the concept, thirty one nitrogen- and/or oxygen-containing standard compounds were analyzed by SFC-AP HDX MS. The compounds were successfully speciated from the obtained SFC-MS spectra. The exchange ions were observed with as low as 1% of CH3OD in the mobile phase, and separation could be performed within approximately 20min using approximately 0.24 mL of CH3OD. The results showed that SFC separation and APPI/APCI HDX could be successfully performed using the suggested method.

  17. Is it important to characterize complex patterns of riverbed hydraulic conductivities for assessing river-aquifer exchange fluxes? An evaluation with an integrated fully coupled hydrological model.

    NASA Astrophysics Data System (ADS)

    Tang, Qi; Kurtz, Wolfgang; Schilling, Oliver; Brunner, Philip; Vereecken, Harry; Hendricks Franssen, Harrie-Jan

    2016-04-01

    Riverbed hydraulic conductivity is a critical parameter for the prediction of exchange fluxes between groundwater and surface water bodies. It was found in previous studies that it is important to characterize heterogeneity of riverbed hydraulic conductivity. In this context, we also investigated in the past whether the heterogeneity pattern of riverbed hydraulic conductivities (i.e., multiGaussian, different types of non-multiGaussian patterns) plays an important role. It was found that the heterogeneity pattern does not matter so much. However, these past studies were conducted with the subsurface hydrological model SPRING which only considers one way coupling and only vertical fluxes through the river-aquifer interface. In this study, the role of patterns was further explored using the fully coupled hydrological model HydroGeoSphere. A synthetic 3-D river-aquifer model was set up with a heterogeneous riverbed showing non-multiGaussian patterns in the form of meandering channels as the reference field. Data assimilation experiments were carried out with help of the Ensemble Kalman Filter to characterize the heterogeneous riverbed. The data assimilation experiments were conducted for four types of riverbed hydraulic conductivity (K) fields: (i) spatially homogeneous, (ii) heterogeneous with multiGaussian distribution, (iii) heterogeneous with non-multiGaussian distribution (channelized structures) and (iv) heterogeneous with non-multiGaussian distribution (elliptic structures). For all the data assimilation scenarios, state variables and riverbed K were updated by assimilating piezometric heads. The experiments were repeated for ten reference fields. Results show that for all prior geostatistical models data assimilation was able to reduce the difference between simulated and measured hydraulic heads, and to improve the characterization of riverbed hydraulic conductivities and river-aquifer exchange fluxes. Results were slightly better for non-multiGaussian fields

  18. Exotic paired phases in ladders with spin-dependent hopping

    SciTech Connect

    Feiguin, Adrian E.; Fisher, Matthew P. A.

    2011-03-15

    Fermions in two dimensions, when subject to anisotropic spin-dependent hopping, can potentially give rise to unusual paired states in unpolarized mixtures that can behave as non-Fermi liquids. One possibility is a fully paired state with a gap for fermion excitations in which the Cooper pairs remain uncondensed. Such a ''Cooper-pair Bose-metal'' phase would be expected to have a singular Bose surface in momentum space. As demonstrated in the context of two-dimensional bosons hopping with a frustrating ring-exchange interaction, an analogous Bose-metal phase has a set of quasi-one-dimensional descendant states when put on a ladder geometry. Here we present a density matrix renormalization group study of the attractive Hubbard model with spin-dependent hopping on a two-leg ladder geometry. In our setup, one spin species moves preferentially along the leg direction, while the other does so along the rung direction. We find compelling evidence for the existence of a novel Cooper-pair Bose-metal phase in a region of the phase diagram at intermediate coupling. We further explore the phase diagram of this model as a function of hopping anisotropy, density, and interaction strength, finding a conventional superfluid phase as well as a phase of paired Cooper pairs with d-wave symmetry, similar to the one found in models of hard-core bosons with ring exchange. We argue that simulating this model with cold Fermi gases on spin-dependent optical lattices is a promising direction for realizing exotic quantum states.

  19. Large interfacial exchange fields in a thick superconducting film coupled to a spin-filter tunnel barrier

    NASA Astrophysics Data System (ADS)

    Pal, Avradeep; Blamire, M. G.

    2015-11-01

    The differential conductance of NbN/GdN/TiN superconductor/ferromagnetic insulator/normal-metal junctions, with a thick NbN layer shows a large zero-field voltage offset interpreted as a spin-filtered Zeeman splitting of the NbN density of states by an effective exchange field (H0) from the GdN. The splitting increases linearly, with applied field (Hext) enabling the relative sign of H0 and Hext to be determined. We show that the short NbN coherence length concentrates H0 at the NbN/GdN interface and eliminates any averaging over the GdN domain structure leading to a large zero-field splitting.

  20. Field-free spin Hall effect driven magnetization switching in Pd/Co/IrMn exchange coupling system

    NASA Astrophysics Data System (ADS)

    Kong, W. J.; Ji, Y. R.; Zhang, X.; Wu, H.; Zhang, Q. T.; Yuan, Z. H.; Wan, C. H.; Han, X. F.; Yu, T.; Fukuda, Kenji; Naganuma, Hiroshi; Tung, Mean-Jue

    2016-09-01

    All electrical manipulation of magnetization is crucial and of great important for spintronics devices for the sake of high speed, reliable operation, and low power consumption. Recently, widespread interests have been aroused to manipulate perpendicular magnetization of a ferromagnetic layer using spin-orbit torque (SOT) without field. We report that a commonly used antiferromagnetic material IrMn can be a promising candidate as a functional layer to realize field-free magnetization switching driven by SOT in which IrMn is employed to act as both the source of effective exchange bias field and SOT source. The critical switching current density within our study is Jc = 2.2 × 107 A/cm2, which is the same magnitude as similar materials such as PtMn. A series of measurements based on anomalous Hall effect was systematically implemented to determine the magnetization switching mechanism. This study offers a possible route for IrMn application in similar structures.

  1. Coupling of atmospheric model, UMO and ocean model, POM with emphasis on exact conservation of exchanged fluxes or SST and computational efficiency

    NASA Astrophysics Data System (ADS)

    Rajkovic, Borivoj; Podrascanin, Zorica; Janjic, Zavisa

    2015-04-01

    The atmospheric unified model (UMO) is a non-hydrostatic model developed by Z. Janjic and is already written as a parallel code. The Princeton ocean mode (POM), developed by G. Mellor and A. Blumberg was taken as a serial code and inserted into UMO as its subroutine (more precisely as two subroutines) and was transformed in parallel using MPICH style, same as UMO. When atmospheric and ocean models are coupled part of the new model has on one side to "bring" atmospheric fluxes of energy and momentum to ocean and on the other to "bring" sea surface temperature to atmosphere. Usually it means interpolation between respective grids possibly with some loss of accuracy in that process. In the parallel mode there is even more important consideration of computational efficiency having in mind that we have computers with several thousands of cores and that will only increase with time. Problem of conservation was solved by the adaptation of the POM's grid so that each UMO's cell is divided into four (eight, sixteen,..) cells thus granting exact conservation. The computational efficiency was much more difficult task. In order to reduce cross processor communications to minimum during preprocessing of the coupled model two pairs of transformation matrices are created. In the case of atmospheric fluxes the first matrix has information which grid cells of POM receive information from each UMO grid cell. Since it is possible (and always happens) that the atmospheric cell partly "covers" several ocean cells the second matrix has starting and ending indices of sub-cells of atmospheric cell and corresponding ocean cells. An analogous pair of matrices is created for the transformation of the SST.

  2. Comparison of Three Efficient Approximate Exact-Exchange Algorithms: The Chain-of-Spheres Algorithm, Pair-Atomic Resolution-of-the-Identity Method, and Auxiliary Density Matrix Method.

    PubMed

    Rebolini, Elisa; Izsák, Róbert; Reine, Simen Sommerfelt; Helgaker, Trygve; Pedersen, Thomas Bondo

    2016-08-01

    We compare the performance of three approximate methods for speeding up evaluation of the exchange contribution in Hartree-Fock and hybrid Kohn-Sham calculations: the chain-of-spheres algorithm (COSX; Neese , F. Chem. Phys. 2008 , 356 , 98 - 109 ), the pair-atomic resolution-of-identity method (PARI-K; Merlot , P. J. Comput. Chem. 2013 , 34 , 1486 - 1496 ), and the auxiliary density matrix method (ADMM; Guidon , M. J. Chem. Theory Comput. 2010 , 6 , 2348 - 2364 ). Both the efficiency relative to that of a conventional linear-scaling algorithm and the accuracy of total, atomization, and orbital energies are compared for a subset containing 25 of the 200 molecules in the Rx200 set using double-, triple-, and quadruple-ζ basis sets. The accuracy of relative energies is further compared for small alkane conformers (ACONF test set) and Diels-Alder reactions (DARC test set). Overall, we find that the COSX method provides good accuracy for orbital energies as well as total and relative energies, and the method delivers a satisfactory speedup. The PARI-K and in particular ADMM algorithms require further development and optimization to fully exploit their indisputable potential.

  3. An observational constraint on stomatal function in forests: evaluating coupled carbon and water vapor exchange with carbon isotopes in the Community Land Model (CLM4.5)

    DOE PAGESBeta

    Raczka, Brett; Duarte, Henrique F.; Koven, Charles D.; Ricciuto, Daniel; Thornton, Peter E.; Lin, John C.; Bowling, David R.

    2016-09-19

    Land surface models are useful tools to quantify contemporary and future climate impact on terrestrial carbon cycle processes, provided they can be appropriately constrained and tested with observations. Stable carbon isotopes of CO2 offer the potential to improve model representation of the coupled carbon and water cycles because they are strongly influenced by stomatal function. Recently, a representation of stable carbon isotope discrimination was incorporated into the Community Land Model component of the Community Earth System Model. Here, we tested the model's capability to simulate whole-forest isotope discrimination in a subalpine conifer forest at Niwot Ridge, Colorado, USA. We distinguishedmore » between isotopic behavior in response to a decrease of δ13C within atmospheric CO2 (Suess effect) vs. photosynthetic discrimination (Δcanopy), by creating a site-customized atmospheric CO2 and δ13C of CO2 time series. We implemented a seasonally varying Vcmax model calibration that best matched site observations of net CO2 carbon exchange, latent heat exchange, and biomass. The model accurately simulated observed δ13C of needle and stem tissue, but underestimated the δ13C of bulk soil carbon by 1–2 ‰. The model overestimated the multiyear (2006–2012) average Δcanopy relative to prior data-based estimates by 2–4 ‰. The amplitude of the average seasonal cycle of Δcanopy (i.e., higher in spring/fall as compared to summer) was correctly modeled but only when using a revised, fully coupled An − gs (net assimilation rate, stomatal conductance) version of the model in contrast to the partially coupled An − gs version used in the default model. The model attributed most of the seasonal variation in discrimination to An, whereas interannual variation in simulated Δcanopy during the summer months was driven by stomatal response to vapor pressure deficit (VPD). The model simulated a 10 % increase in both photosynthetic discrimination

  4. An observational constraint on stomatal function in forests: evaluating coupled carbon and water vapor exchange with carbon isotopes in the Community Land Model (CLM4.5)

    NASA Astrophysics Data System (ADS)

    Raczka, Brett; Duarte, Henrique F.; Koven, Charles D.; Ricciuto, Daniel; Thornton, Peter E.; Lin, John C.; Bowling, David R.

    2016-09-01

    Land surface models are useful tools to quantify contemporary and future climate impact on terrestrial carbon cycle processes, provided they can be appropriately constrained and tested with observations. Stable carbon isotopes of CO2 offer the potential to improve model representation of the coupled carbon and water cycles because they are strongly influenced by stomatal function. Recently, a representation of stable carbon isotope discrimination was incorporated into the Community Land Model component of the Community Earth System Model. Here, we tested the model's capability to simulate whole-forest isotope discrimination in a subalpine conifer forest at Niwot Ridge, Colorado, USA. We distinguished between isotopic behavior in response to a decrease of δ13C within atmospheric CO2 (Suess effect) vs. photosynthetic discrimination (Δcanopy), by creating a site-customized atmospheric CO2 and δ13C of CO2 time series. We implemented a seasonally varying Vcmax model calibration that best matched site observations of net CO2 carbon exchange, latent heat exchange, and biomass. The model accurately simulated observed δ13C of needle and stem tissue, but underestimated the δ13C of bulk soil carbon by 1-2 ‰. The model overestimated the multiyear (2006-2012) average Δcanopy relative to prior data-based estimates by 2-4 ‰. The amplitude of the average seasonal cycle of Δcanopy (i.e., higher in spring/fall as compared to summer) was correctly modeled but only when using a revised, fully coupled An - gs (net assimilation rate, stomatal conductance) version of the model in contrast to the partially coupled An - gs version used in the default model. The model attributed most of the seasonal variation in discrimination to An, whereas interannual variation in simulated Δcanopy during the summer months was driven by stomatal response to vapor pressure deficit (VPD). The model simulated a 10 % increase in both photosynthetic discrimination and water-use efficiency (WUE

  5. Pentacene appended to a TEMPO stable free radical: the effect of magnetic exchange coupling on photoexcited pentacene.

    PubMed

    Chernick, Erin T; Casillas, Rubén; Zirzlmeier, Johannes; Gardner, Daniel M; Gruber, Marco; Kropp, Henning; Meyer, Karsten; Wasielewski, Michael R; Guldi, Dirk M; Tykwinski, Rik R

    2015-01-21

    Understanding the fundamental spin dynamics of photoexcited pentacene derivatives is important in order to maximize their potential for optoelectronic applications. Herein, we report on the synthesis of two pentacene derivatives that are functionalized with the [(2,2,6,6-tetramethylpiperidin-1-yl)oxy] (TEMPO) stable free radical. The presence of TEMPO does not quench the pentacene singlet excited state, but does quench the photoexcited triplet excited state as a function of TEMPO-to-pentacene distance. Time-resolved electron paramagnetic resonance experiments confirm that triplet quenching is accompanied by electron spin polarization transfer from the pentacene excited state to the TEMPO doublet state in the weak coupling regime.

  6. Intersublattice exchange coupling in rare earth-iron-based R-Fe-LT intermetallics (LT=light transition elements Ti, V)

    NASA Astrophysics Data System (ADS)

    Duc, N. H.; Tan, N. D.; Cong, B. T.; Givord, D.

    2002-07-01

    The values of the d-sublattice magnetic moment ( Md) and the Gd-Fe exchange coupling parameter ( AGdFe) were derived for the R(Fe 1- xTi x) 2, R(Fe 1- xTi x) 3 and RFe 12- xV x (R=Gd, Lu and Y) compounds. As the Ti(V) concentration increases, a tendency of Md to decrease is found, whereas AGdFe is enhanced. These behaviours are discussed in terms of the similar role of the 3d(Fe)-5d(R) and 3d(Fe)-3d(Ti,V) hybridizations on the negative polarization of both the 5d(R) and 3d(Ti,V) electrons. The arguments are reinforced by the analysis of the magnetic valence and a linear relationship between AGdFe and Md is presented.

  7. Pressure-Tuned Exchange Coupling of a Quantum Spin Liquid in the Molecular Triangular Lattice κ -(ET )2Ag2 (CN )3

    NASA Astrophysics Data System (ADS)

    Shimizu, Yasuhiro; Hiramatsu, Takaaki; Maesato, Mitsuhiko; Otsuka, Akihiro; Yamochi, Hideki; Ono, Akihiro; Itoh, Masayuki; Yoshida, Makoto; Takigawa, Masashi; Yoshida, Yukihiro; Saito, Gunzi

    2016-09-01

    The effects of pressure on a quantum spin liquid are investigated in an organic Mott insulator κ -(ET )2Ag2 (CN )3 with a spin-1 /2 triangular lattice. The application of negative chemical pressure to κ -(ET )2Cu2 (CN )3 , which is a well-known sister Mott insulator, allows for extensive tuning of antiferromagnetic exchange coupling, with J /kB=175 - 310 K , under hydrostatic pressure. Based on 13C nuclear magnetic resonance measurements under pressure, we uncover universal scaling in the static and dynamic spin susceptibilities down to low temperatures ˜0.1 kBT /J . The persistent fluctuations and residual specific heat coefficient are consistent with the presence of gapless low-lying excitations. Our results thus demonstrate the fundamental finite-temperature properties of a quantum spin liquid in a wide parameter range.

  8. A novel method to fabricate CoFe2O4/SrFe12O19 composite ferrite nanofibers with enhanced exchange coupling effect

    NASA Astrophysics Data System (ADS)

    Pan, Lining; Cao, Derang; Jing, Panpan; Wang, Jianbo; Liu, Qingfang

    2015-03-01

    Nanocomposite of CoFe2O4/SrFe12O19 has been synthesized by the electrospinning and calcination process. A novel method that cobalt powder was used to replace traditional cobalt salt in the precursor sol-gel for electrospinning was proposed. The crystal structures, morphologies, and magnetic properties of these samples have been characterized in detail. Moreover, when the average crystallite size of the hard/soft phases reached up to an optimal value, the CoFe2O4 have an enhanced saturation magnetization of 62.8 emu/g and a coercivity of 2,290 Oe. Significantly, the hysteresis loops for the nanocomposites show a single-phase magnetization behavior, and it has been found that the exchange coupling interaction strongly exists in the CoFe2O4/SrFe12O19 magnetic nanocomposite nanofibers.

  9. A novel method to fabricate CoFe2O4/SrFe12O19 composite ferrite nanofibers with enhanced exchange coupling effect.

    PubMed

    Pan, Lining; Cao, Derang; Jing, Panpan; Wang, Jianbo; Liu, Qingfang

    2015-01-01

    Nanocomposite of CoFe2O4/SrFe12O19 has been synthesized by the electrospinning and calcination process. A novel method that cobalt powder was used to replace traditional cobalt salt in the precursor sol-gel for electrospinning was proposed. The crystal structures, morphologies, and magnetic properties of these samples have been characterized in detail. Moreover, when the average crystallite size of the hard/soft phases reached up to an optimal value, the CoFe2O4 have an enhanced saturation magnetization of 62.8 emu/g and a coercivity of 2,290 Oe. Significantly, the hysteresis loops for the nanocomposites show a single-phase magnetization behavior, and it has been found that the exchange coupling interaction strongly exists in the CoFe2O4/SrFe12O19 magnetic nanocomposite nanofibers. PMID:25852422

  10. Pressure-Tuned Exchange Coupling of a Quantum Spin Liquid in the Molecular Triangular Lattice κ-(ET)_{2}Ag_{2}(CN)_{3}.

    PubMed

    Shimizu, Yasuhiro; Hiramatsu, Takaaki; Maesato, Mitsuhiko; Otsuka, Akihiro; Yamochi, Hideki; Ono, Akihiro; Itoh, Masayuki; Yoshida, Makoto; Takigawa, Masashi; Yoshida, Yukihiro; Saito, Gunzi

    2016-09-01

    The effects of pressure on a quantum spin liquid are investigated in an organic Mott insulator κ-(ET)_{2}Ag_{2}(CN)_{3} with a spin-1/2 triangular lattice. The application of negative chemical pressure to κ-(ET)_{2}Cu_{2}(CN)_{3}, which is a well-known sister Mott insulator, allows for extensive tuning of antiferromagnetic exchange coupling, with J/k_{B}=175-310  K, under hydrostatic pressure. Based on ^{13}C nuclear magnetic resonance measurements under pressure, we uncover universal scaling in the static and dynamic spin susceptibilities down to low temperatures ∼0.1k_{B}T/J. The persistent fluctuations and residual specific heat coefficient are consistent with the presence of gapless low-lying excitations. Our results thus demonstrate the fundamental finite-temperature properties of a quantum spin liquid in a wide parameter range. PMID:27636491

  11. An electrospray ms-coupled microfluidic device for sub-second hydrogen/deuterium exchange pulse-labelling reveals allosteric effects in enzyme inhibition.

    PubMed

    Rob, Tamanna; Gill, Preet Kamal; Golemi-Kotra, Dasantila; Wilson, Derek J

    2013-07-01

    In this work, we introduce an integrated, electrospray mass spectrometry-coupled microfluidic chip that supports the complete workflow for 'bottom up' hydrogen/deuterium exchange (HDX) pulse labelling experiments. HDX pulse labelling is used to measure structural changes in proteins that occur after the initiation of a reaction, most commonly folding. In the present case, we demonstrate the device on the β-lactamase enzyme TEM-1, identifying active site changes that occur upon acylation by a covalent inhibitor and subtle changes in conformational dynamics that occur away from the active site over a period of several second after the inhibitor is bound. Our results demonstrate the power of microfluidics-enabled sub-second HDX pulse labelling as a tool for studying allostery and show some intriguing correlations with mutagenesis studies.

  12. Tunable ferromagnetic and antiferromagnetic interfacial exchange coupling in perpendicularly magnetized L10-MnGa/Co2FeAl Heusler bilayers

    NASA Astrophysics Data System (ADS)

    Ma, Q. L.; Mizukami, S.; Zhang, X. M.; Miyazaki, T.

    2014-12-01

    In this work, we report a tailorable exchange coupling (Jex) at the Mn62Ga38/Co2FeAl interface, where Mn62Ga38 and Co2FeAl alloys are tetragonal Heusler alloy with high perpendicular magnetic anisotropy and typical cubic Heusler alloy with soft magnetism, respectively. As the post annealing temperature (Ta) is lower than 375 °C, the Jex is ferromagnetic with strength controllable from 7.5 to 0.5 erg/cm2. Interestingly, as Ta increases higher than 400 °C, an antiferromagnetic Jex of -5.5 erg/cm2 is observed. The ferromagnetic/antiferromagnetic transition is further evidenced by the spin dependent transport property of the magnetic tunnel junctions with Mn62Ga38/Co2FeAl as electrode. Based on structure characterization, the variation of Jex during annealing is discussed.

  13. The impact of coastal phytoplankton blooms on ocean-atmosphere thermal energy exchange: Evidence from a two-way coupled numerical modeling system

    NASA Astrophysics Data System (ADS)

    Jolliff, Jason K.; Smith, Travis A.; Barron, Charlie N.; deRada, Sergio; Anderson, Stephanie C.; Gould, Richard W.; Arnone, Robert A.

    2012-12-01

    A set of sensitivity experiments are performed with a two-way coupled and nested ocean-atmosphere forecasting system in order to deconvolve how dense phytoplankton stocks in a coastal embayment may impact thermal energy exchange processes. Monterey Bay simulations parameterizing solar shortwave transparency in the surface ocean as an invariant oligotrophic oceanic water type estimate consistently colder sea surface temperature (SST) than simulations utilizing more realistic, spatially varying shortwave attenuation terms based on satellite estimates of surface algal pigment concentration. These SST differences lead to an ∼88% increase in the cumulative turbulent thermal energy transfer from the ocean to the atmosphere over the three month simulation period. The result is a warmer simulated atmospheric boundary layer with respective local air temperature differences approaching ∼2°C. This study suggests that the retention of shortwave solar flux by ocean flora may directly impact even short-term forecasts of coastal meteorological variables.

  14. First-principles DFT+DMFT calculations of structural properties of actinides: Role of Hund's exchange, spin-orbit coupling, and crystal structure

    NASA Astrophysics Data System (ADS)

    Amadon, Bernard

    2016-09-01

    We utilize a combination of an ab initio calculation of effective Coulomb interactions and a DFT+DMFT calculation of total energy to study the structural properties of pure actinides. We first show that the effective direct Coulomb interactions in plutonium and americium are much smaller than usually expected. Secondly, we emphasize the key role of Hund's exchange in combination with the spin-orbit coupling in determining the structural parameters of δ -plutonium and americium. Thirdly, using this ab initio description, we reproduce the experimental transition from low volume early actinides (uranium, neptunium, α -plutonium) to high-volume late actinides (δ -plutonium, americium, and curium) without the need of an artificial magnetism. Finally, we compare the energies and structural properties of α , γ , ɛ , and δ phases of plutonium to experimental data.

  15. [Exchange Fluxes and Coupling Relationship of Dissolved Inorganic Carbon and Dissolved Organic Carbon Across the Water-Sediment Interface in Lakes].

    PubMed

    Wang, Wei-ying; Lü, Chang-wei; He, Jiang; Zuo, Le; Yan, Dao-hao

    2015-10-01

    In this work, the exchange fluxes and coupling relationship of dissolved inorganic carbon (DIC) and dissolved organic carbon (DOC) were investigated across the water-sediment interface in Lake Wuliangsuhai and Daihai by employing columnar simulation method. The results showed that the sediments in non-Phragmitescommunis area from Lake Wuliangsuhai functioned as the sources of DIC and DOC for overlying water, whereas the sediments from Lake Daihai as the sinks during the period of summer (90 days). In the experimental period, the average exchange rates of DIC and DOC were 71.07 mmol x (m2 x d)(-1) and 185.09 mmol x (m2 x d)(-1) in non-Phragmitescommunis area from Lake Wuliangsuhai, respectively; while in Lake Daihai, they were 155.75 mmol x (m2 x d)(-1) and -1478.08 mmol x (m2 x d)(-1) in shoal water zone, and -486.53 mmol x (m2 x d)(-1) and -1274.02 mmol x (m2 x d)(-1) in deep water zone, respectively. The coupling effects between DIC and DOC were governed by hydrobios, microbial uptake, abiotic and microbiological degradation in Lake Wuliangsuhai and in shoal water zone of Lake Daihai; while they were closely related to the coprecipitation process of CaCO3 and the fraction distribution of inorganic carbon in sediments in deep water zone of Lake Daihai. In summary, the sink or source functions of sediments could be considered as the results of synthetic action of lake types, offshore distance, geohydrochemistry and the fraction distribution of inorganic carbon.

  16. Conductivity measures coupled with treatment with ion-exchange resin for the assessment of sodium concentration in physiological fluids: analyses on artificial solutions

    NASA Astrophysics Data System (ADS)

    Tura, A.; Sbrignadello, S.; Mambelli, E.; Ravazzani, P.; Santoro, A.; Pacini, G.

    2013-09-01

    In humans, sodium is essential for the regulation of blood volume and pressure. During hemodialysis, sodium measurement is important to preserve the patient from hypo- or hyper-natremia Usually, sodium measurement is performed through laboratory equipment which is typically expensive, and requires manual intervention. We propose a new method, based on conductivity measurement after treatment of dialysate solution through ion-exchange resin. To test this method, we performed in vitro experiments. We prepared 40 ml sodium chloride (NaCl) samples at 280, 140, 70, 35, 17.5, 8.75, 4.375 mEq/l, and some "mixed samples", i.e., with added potassium chloride (KCl) at different concentrations (4.375-17.5 mEq/l), to simulate the confounding factors in a conductivity-based sodium measurement. We measured the conductivity of all samples. Afterwards, each sample was treated for 1 min with 1 g of Dowex G-26 resin, and conductivity measured again. On average, the difference ɛ in the conductivity between mixed samples and corresponding pure NaCl samples (at the same NaCl concentration) was 20.9%. With treatment with the resin, it was 9.9%, only. We conclude that ion-exchange resin treatment coupled with conductivity measures may be a possible simple approach for continuous and automatic sodium measurement during hemodialysis.

  17. Monitoring of enzymatic hydrolysis of starch by microdialysis sampling coupled on-line to anion exchange chromatography and integrated pulsed electrochemical detection using post-column switching

    SciTech Connect

    Torto, N.; Gorton, L.; Emneus, J.; Laurell, T.; Marko-Varga, G.; Akerberg, C.; Zacchi, G. |

    1997-12-05

    A quantitative evaluation of the hydrolysis of wheat starch using Termamyl, a thermostable {alpha}-amylase, is reported. Data from the monitoring of the hydrolysis of wheat starch indicated that, after 1 h, glucose and maltooligosaccharides up to DP 7 were the main hydrolysis products and thus enabled optimization of a liquefaction step during the production of L-lactic acid. The monitoring system used, both in the on- and off-line mode, was based on continuous flow microdialysis sampling (CFMS) coupled to anion exchange chromatography and integrated pulsed electrochemical detection (IPED). A microdialysis probe equipped with a 5-mm polysulfone (SPS 4005) membrane, with a molecular-weight cut-off of 5 kDa, was used to sample the hydrolysis products of native wheat starch at 90 C. Characteristic fingerpoint separations were achieved by anion exchange chromatography after enzymatic hydrolysis. Post-column switching improved the detection and, consequently, also quantification of the hydrolysates as fouling of the electrode could be reduced. Maltooligosaccharide standards were used for quantification and to verify the elution of the hydrolysates by spiking the off-line samples.

  18. Broad Negative Thermal Expansion Operation-Temperature Window Achieved by Adjusting Fe-Fe Magnetic Exchange Coupling in La(Fe,Si)13 Compounds.

    PubMed

    Li, Shaopeng; Huang, Rongjin; Zhao, Yuqiang; Li, Wen; Wang, Wei; Huang, Chuanjun; Gong, Pifu; Lin, Zheshuai; Li, Laifeng

    2015-08-17

    Cubic La(Fe,Si)13-based compounds have been recently developed as promising negative thermal expansion(NTE) materials, but the narrow NTE operation-temperature window(∼110 K) restricts their actual applications. In this work, we demonstrate that the NTE operation-temperature window of LaFe(13-x)Si(x) can be significantly broadened by adjusting Fe-Fe magnetic exchange coupling as x ranges from 2.8 to 3.1. In particular, the NTE operation-temperature window of LaFe10.1Si2.9 is extended to 220 K. More attractively, the coefficients of thermal expansion of LaFe10.0Si3.0 and LaFe9.9Si3.1 are homogeneous in the NTE operation-temperature range of about 200 K, which is much valuable for the stability of fabricating devices. The further experimental characterizations combined with first-principles studies reveal that the tetragonal phase is gradually introduced into the cubic phase as the Si content increases, hence modifies the Fe-Fe interatomic distance. The reduction of the overall Fe-Fe magnetic exchange interactions contributes to the broadness of NTE operation-temperature window for LaFe(13-x)Si(x). PMID:26196377

  19. Surface modification of Fe2TiO5 nanoparticles by silane coupling agent: Synthesis and application in proton exchange composite membranes.

    PubMed

    Salarizadeh, Parisa; Javanbakht, Mehran; Pourmahdian, Saeed; Bagheri, Ahmad; Beydaghi, Hossein; Enhessari, Morteza

    2016-06-15

    Modifying surfaces of nanoparticles with silane coupling agent provides a simple method to alter their surface properties and improve their dispersibility in organic solvents and polymer matrix. Fe2TiO5 nanoparticles (IT) were modified with 3-aminopropyltriethoxysilane (APTES) as novel reinforcing filler for proton exchange membranes. The main operating parameters such as reaction time (R.T), APTES/IT and triethylamine (TEA)/IT ratios have been optimized for maximum grafting efficiency. The optimum conditions for R.T, APTES/IT and TEA/IT ratios were 6h, 4 and 0.3 respectively. It was observed that the APTES/IT and TEA/IT ratios were the most significant parameters affecting the grafting percentage. Modified nanoparticles were characterized using FT-IR, TGA, SEM, TEM and XRD techniques. Effects of modified nanoparticles in proton exchange membrane fuel cells (PEMFC) were evaluated. The resulting nanocomposite membranes exhibited higher proton conductivity in comparison with pristine SPPEK and SPPEK/IT membranes. This increase is attributed to connectivity of the water channels which creates more direct pathways for proton transport. Composite membrane with 3% AIT (6.46% grafting amount) showed 0.024 S cm(-1) proton conductivity at 25 °C and 149 mW cm(-2) power density (at 0.5V) at 80 °C which were about 243% and 51%, respectively higher than that of pure SPPEK.

  20. Lamb shift in radical-ion pairs produces a singlet-triplet energy splitting in photosynthetic reaction centers

    NASA Astrophysics Data System (ADS)

    Vitalis, K. M.; Kominis, I. K.

    2014-09-01

    Radical-ion pairs, fundamental for understanding photosynthesis and the avian magnetic compass, were recently shown to be biological open quantum systems. We here show that the coupling of the radical-pair spin degrees of freedom to its decohering vibrational reservoir leads to a shift of the radical-pair magnetic energy levels. The Lamb shift Hamiltonian is diagonal in the singlet-triplet basis, and results in a singlet-triplet energy splitting physically indistinguishable from an exchange interaction. This could have significant implications for understanding the energy level structure and the dynamics of photosynthetic reaction centers.

  1. Conformational Analysis of Proteins in Highly Concentrated Solutions by Dialysis-Coupled Hydrogen/Deuterium Exchange Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Houde, Damian; Nazari, Zeinab E.; Bou-Assaf, George M.; Weiskopf, Andrew S.; Rand, Kasper D.

    2016-04-01

    When highly concentrated, an antibody solution can exhibit unusual behaviors, which can lead to unwanted properties, such as increased levels of protein aggregation and unusually high viscosity. Molecular modeling, along with many indirect biophysical measurements, has suggested that the cause for these phenomena can be due to short range electrostatic and/or hydrophobic protein-protein interactions. Hydrogen/deuterium exchange mass spectrometry (HDX-MS) is a useful tool for investigating protein conformation, dynamics, and interactions. However, "traditional" continuous dilution labeling HDX-MS experiments have limited utility for the direct analysis of solutions with high concentrations of protein. Here, we present a dialysis-based HDX-MS (di-HDX-MS) method as an alternative HDX-MS labeling format, which takes advantage of passive dialysis rather than the classic dilution workflow. We applied this approach to a highly concentrated antibody solution without dilution or significant sample manipulation, prior to analysis. Such a method could pave the way for a deeper understanding of the unusual behavior of proteins at high concentrations, which is highly relevant for development of biopharmaceuticals in industry.

  2. Interface exchange coupling induced fourfold symmetry planar Hall effect in Fe3O4/NiO bilayers

    NASA Astrophysics Data System (ADS)

    Li, P.; Cui, W. Y.; Bai, H. L.

    2015-10-01

    An unexpected fourfold symmetry planar Hall effect was observed in Fe3O4/NiO bilayers. As the thickness of the antiferromagnetic layer exceeds 37 nm, the planar Hall effect of the bilayer further shifts to twofold symmetry, which is ascribed to the dying interfacial coupled effect with increasing antiferromagnetic NiO layer thickness. According to the fitting based on the Stoner-Wohlfarth model, it was notable that an extra cubic anisotropic field in the bilayer structure was obviously amplified by attenuating the thickness of the antiferromagnetic layer. First principle calculations reveal that the amplified cubic anisotropic field was ascribed to the synergistic effect from interfacial bonding structure and charge transfer.

  3. Mechanistic model coupling gas exchange dynamics and Listeria monocytogenes growth in modified atmosphere packaging of non respiring food.

    PubMed

    Chaix, E; Broyart, B; Couvert, O; Guillaume, C; Gontard, N; Guillard, V

    2015-10-01

    A mechanistic model coupling O2 and CO2 mass transfer (namely diffusion and solubilisation in the food itself and permeation through the packaging material) to microbial growth models was developed aiming at predicting the shelf life of modified atmosphere packaging (MAP) systems. It was experimentally validated on a non-respiring food by investigating concomitantly the O2/CO2 partial pressure in packaging headspace and the growth of Listeria monocytogenes (average microbial count) within the food sample. A sensitivity analysis has revealed that the reliability of the prediction by this "super-parametrized" model (no less than 47 parameters were required for running one simulation) was strongly dependent on the accuracy of the microbial input parameters. Once validated, this model was used to decipher the role of O2/CO2 mass transfer on microbial growth and as a MAP design tool: an example of MAP dimensioning was provided in this paper as a proof of concept.

  4. Disentangling the response of forest and grassland energy exchange to heatwaves under idealized land-atmosphere coupling

    NASA Astrophysics Data System (ADS)

    van Heerwaarden, C. C.; Teuling, A. J.

    2014-04-01

    This study investigates the difference in land-atmosphere interactions between grassland and forest during typical heat wave conditions in order to understand the controversial results of Teuling et al. (2010) (T10, hereafter), who have found the systematic occurrence of higher sensible heat fluxes over forest than over grassland during heat wave conditions. With a simple, but accurate coupled land-atmosphere model, we are able to reproduce the findings of T10 for both normal summer and heat wave conditions, and to carefully explore the sensitivity of the coupled land-atmosphere system to changes in incoming radiation and early-morning temperature. Our results emphasize the importance of fast processes during the onset of heat waves, since we are able to explain the results of T10 without having to take into account changes in soil moisture. In order to disentangle the contribution of differences in several static and dynamic properties between forest and grassland, we have performed an experiment in which new land use types are created that are equal to grassland, but with one of its properties replaced by that of forest. From these, we conclude that the closure of stomata in the presence of dry air is by far the most important process in creating the different behavior of grassland and forest during the onset of a heat wave. However, we conclude that for a full explanation of the results of T10 also the other properties (albedo, roughness and the ratio of minimum stomatal resistance to leaf-area index) play an important, but indirect role; their influences mainly consist of strengthening the feedback that leads to the closure of the stomata by providing more energy that can be converted into sensible heat. The model experiment also confirms that, in line with the larger sensible heat flux, higher atmospheric temperatures occur over forest.

  5. Disentangling the response of forest and grassland energy exchange to heatwaves under idealized land-atmosphere coupling

    NASA Astrophysics Data System (ADS)

    van Heerwaarden, C. C.; Teuling, A. J.

    2014-11-01

    This study investigates the difference in land-atmosphere interactions between grassland and forest during typical heatwave conditions in order to understand the controversial results of Teuling et al. (2010) (hereafter T10), who found the systematic occurrence of higher sensible heat fluxes over forest than over grassland during heatwaves. With a simple but accurate coupled land-atmosphere model, we show that existing parametrizations are able to reproduce the findings of T10 for normal summer and heatwave conditions. Furthermore, we demonstrate the sensitivity of the coupled system to changes in incoming radiation and early-morning temperature typical for European heatwaves. Our results suggest that the fast atmospheric control of stomatal resistance can explain the observed differences between grassland and forest. The atmospheric boundary layer has a buffering function therein: increases in stomatal resistance are largely compensated for by increases in the potential evaporation due to atmospheric warming and drying. In order to disentangle the contributions of differences in several static and dynamic properties between forest and grassland, we have performed a virtual experiment with artificial land-use types that are equal to grassland, but with one of its properties replaced by that of forest. From these, we confirm the important role of the fast physiological processes that lead to the closure of stomata. Nonetheless, for a full explanation of T10's results, the other properties (albedo, roughness and the ratio of minimum stomatal resistance to leaf-area index) play an important but indirect role; their influences mainly consist of strengthening the feedback that leads to the closure of the stomata by providing more energy that can be converted into sensible heat. The model experiment also confirms that, in line with the larger sensible heat flux, higher atmospheric temperatures occur over forest. As our parametrization for stomatal resistance is empirical

  6. Optimized production of ultracold ground-state molecules: Stabilization employing potentials with ion-pair character and strong spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Tomza, Michał; Goerz, Michael H.; Musiał, Monika; Moszynski, Robert; Koch, Christiane P.

    2012-10-01

    We discuss the production of ultracold molecules in their electronic ground state by photoassociation employing electronically excited states with ion-pair character and strong spin-orbit interaction. A short photoassociation laser pulse drives a nonresonant three-photon transition for alkali-metal atoms colliding in their lowest triplet state. The excited-state wave packet is transferred to the ground electronic state by a second laser pulse, driving a resonant two-photon transition. After analyzing the transition matrix elements governing the stabilization step, we discuss the efficiency of population transfer using transform-limited and linearly chirped laser pulses. Finally, we employ optimal control theory to determine the most efficient stabilization pathways. We find that the stabilization efficiency can be increased by one and two orders of magnitude when using linearly chirped and optimally shaped laser pulses, respectively.

  7. Verification of antiferromagnetic exchange coupling at room temperature using polar magneto-optic Kerr effect in thin EuS/Co multilayers with perpendicular magnetic anisotropy

    NASA Astrophysics Data System (ADS)

    Goschew, A.; Scott, M.; Fumagalli, P.

    2016-08-01

    We report on magneto-optic Kerr measurements in polar geometry carried out on a series of thin Co/EuS multilayers on suitable Co/Pd-multilayer substrates. Thin Co/EuS multilayers of a few nanometers individual layer thickness usually have their magnetization in plane. Co/Pd multilayers introduce a perpendicular magnetic anisotropy in the Co/EuS layers deposited on top, thus making it possible to measure magneto-optic signals in the polar geometry in remanence in order to study exchange coupling. Magneto-optic Kerr-effect spectra and hysteresis loops were recorded in the visible and ultraviolet photon-energy range at room temperature. The EuS contribution to the magneto-optic signal is extracted at 4.1 eV by combining hysteresis loops measured at different photon energies with polar magneto-optic Kerr-effect spectra recorded in remanence and in an applied magnetic field of 2.2 T. The extracted EuS signal shows clear signs of antiferromagnetic coupling of the Eu magnetic moments to the Co layers. This implies that the ordering temperature of at least a fraction of the EuS layers is above room temperature proving that magneto-optic Kerr-effect spectroscopy can be used here as a quasi-element-specific method.

  8. A CoFeB/MgO/CoFeB perpendicular magnetic tunnel junction coupled to an in-plane exchange-biased magnetic layer

    SciTech Connect

    Zhu, M. Chong, H.; Vu, Q. B.; Vo, T.; Brooks, R.; Stamper, H.; Bennett, S.; Piccirillo, J.

    2015-05-25

    We report a stack structure which utilizes an in-plane exchange-biased magnetic layer to influence the coercivity of the bottom CoFeB layer in a CoFeB/MgO/CoFeB perpendicular magnetic tunnel junction. By employing a thickness wedge deposition technique, we were able to study various aspects of this stack using vibrating sample magnetometer including: (1) the coupling between two CoFeB layers as a function of MgO thickness; and (2) the coupling between the bottom CoFeB and the in-plane magnetic layer as a function of Ta spacer thickness. Furthermore, modification of the bottom CoFeB coercivity allows one to measure tunneling magnetoresistance and resistance-area product (RA) of CoFeB/MgO/CoFeB in this pseudo-spin-valve format using current-in-plane-tunneling technique, without resorting to (Co/Pt){sub n} or (Co/Pd){sub n} multilayer pinning.

  9. A CoFeB/MgO/CoFeB perpendicular magnetic tunnel junction coupled to an in-plane exchange-biased magnetic layer

    NASA Astrophysics Data System (ADS)

    Zhu, M.; Chong, H.; Vu, Q. B.; Vo, T.; Brooks, R.; Stamper, H.; Bennett, S.; Piccirillo, J.

    2015-05-01

    We report a stack structure which utilizes an in-plane exchange-biased magnetic layer to influence the coercivity of the bottom CoFeB layer in a CoFeB/MgO/CoFeB perpendicular magnetic tunnel junction. By employing a thickness wedge deposition technique, we were able to study various aspects of this stack using vibrating sample magnetometer including: (1) the coupling between two CoFeB layers as a function of MgO thickness; and (2) the coupling between the bottom CoFeB and the in-plane magnetic layer as a function of Ta spacer thickness. Furthermore, modification of the bottom CoFeB coercivity allows one to measure tunneling magnetoresistance and resistance-area product (RA) of CoFeB/MgO/CoFeB in this pseudo-spin-valve format using current-in-plane-tunneling technique, without resorting to (Co/Pt)n or (Co/Pd)n multilayer pinning.

  10. Functional coupling of chloride-proton exchanger ClC-5 to gastric H+,K+-ATPase.

    PubMed

    Takahashi, Yuji; Fujii, Takuto; Fujita, Kyosuke; Shimizu, Takahiro; Higuchi, Taiga; Tabuchi, Yoshiaki; Sakamoto, Hisato; Naito, Ichiro; Manabe, Koji; Uchida, Shinichi; Sasaki, Sei; Ikari, Akira; Tsukada, Kazuhiro; Sakai, Hideki

    2014-01-01

    It has been reported that chloride-proton exchanger ClC-5 and vacuolar-type H(+)-ATPase are essential for endosomal acidification in the renal proximal cells. Here, we found that ClC-5 is expressed in the gastric parietal cells which secrete actively hydrochloric acid at the luminal region of the gland, and that it is partially localized in the intracellular tubulovesicles in which gastric H(+),K(+)-ATPase is abundantly expressed. ClC-5 was co-immunoprecipitated with H(+),K(+)-ATPase in the lysate of tubulovesicles. The ATP-dependent uptake of (36)Cl(-) into the vesicles was abolished by 2-methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-acetonitrile (SCH28080), an inhibitor of H(+),K(+)-ATPase, suggesting functional expression of ClC-5. In the tetracycline-regulated expression system of ClC-5 in the HEK293 cells stably expressing gastric H(+),K(+)-ATPase, ClC-5 was co-immunoprecipitated with H(+),K(+)-ATPase, but not with endogenous Na(+),K(+)-ATPase. The SCH28080-sensitive (36)Cl(-) transporting activity was observed in the ClC-5-expressing cells, but not in the ClC-5-non-expressing cells. The mutant (E211A-ClC-5), which has no H(+) transport activity, did not show the SCH28080-sensitive (36)Cl(-) transport. On the other hand, both ClC-5 and its mutant (E211A) significantly increased the activity of H(+),K(+)-ATPase. Our results suggest that ClC-5 and H(+),K(+)-ATPase are functionally associated and that they may contribute to gastric acid secretion.

  11. FMR studies of exchange-coupled multiferroic polycrystalline Pt/BiFeO3/Ni81Fe19/Pt heterostructures

    NASA Astrophysics Data System (ADS)

    Ben Youssef, Jamal; Richy, Jérôme; Beaulieu, Nathan; Hauguel, Tony; Dekadjevi, David T.; Jay, Jean-Philippe; Spenato, David; Pogossian, Souren P.

    2016-09-01

    An experimental study of the in-plane azimuthal behaviour and frequency dependence of the ferromagnetic resonance field and the resonance linewidth as a function of BiFeO3 thickness is carried out in a polycrystalline exchange-biased BiFeO3/Ni81Fe19 system. The magnetization decrease of the Pt/BiFeO3/Ni81Fe19/Pt heterostructure with BiFeO3 thickness deduced from static measurements has been confirmed by dynamic investigations. Ferromagnetic resonance measurements have shown lower gyromagnetic ratio in a perpendicular geometry compared with that of parallel geometry. The monotonous decrease of gyromagnetic ratio in perpendicular geometry as a function of the BiFeO3 film thickness seems to be related to the spin-orbit interactions due to the neighbouring Pt film at its interface with Ni81Fe19 film. The enhancement of gyromagnetic ratio in Pt/Ni81Fe19/Pt is attributed to the Pt. The in-plane azimuthal shape of the total linewidth of the uniform mode shows isotropic behaviour that increases with BiFeO3 thickness. The study of the frequency dependence of the resonance linewidth in a broad band of 3-35 GHz has allowed the determination of intrinsic and extrinsic contributions to the relaxation as a function of BiFeO3 thickness in perpendicular geometry. In our system the magnetic relaxation is dominated by the spin-pumping mechanism due to the presence of Pt. The insertion of BiFeO3 between Pt and Ni81Fe19 attenuates the spin-pumping damping at one interface.

  12. Process coupling and control over the response of net ecosystem CO2 exchange to climate variability and insect disturbance in subalpine forests of the Western US

    NASA Astrophysics Data System (ADS)

    Monson, R. K.; Moore, D. J.; Trahan, N. A.; Scott-Denton, L.; Burns, S. P.; Hu, J.; Bowling, D. R.

    2011-12-01

    Following ten years of studies in subalpine forest ecosystems of the Western US, we have concluded that the tight coupling between gross primary productivity (GPP) and the autotrophic component of soil respiration (Ra) drives responses of net ecosystem CO2 exchange (NEE) to climate variability and insect disturbance. This insight has been gained through long-term eddy flux observations, manipulative plot experiments, analyses of dynamics in the stable isotope compositions of CO2 and H2O, and chamber gas-exchange measurements. Using past observations from these studies, we deployed model-data assimilation techniques and forecast weather/climate modeling to estimate how the coupling between GPP and Ra is likely to affect future (Year 2100) dynamics in NEE. The amount of winter snow and its melting dynamics in the spring represents the dominant control over interannual variation in GPP. Using the SIPNET ecosystem process model, combined with knowledge about the stable isotope content of different water sources, we estimated that approximately 75% of growing season GPP is coupled to the use of snowmelt water, whereas approximately 25% is coupled to summer rain. The tight coupling between GPP and winter snow pack drives a similar tight coupling between soil respiration (Rs) and winter snow pack. Manipulation of snow pack on forest plots has shown that Rs increases with increased snow pack, and this effect disappears when trees are girdled, which stops the transfer of GPP to roots and the soil rhizosphere. Higher-than-normal winter snowpacks cause the carbon isotope ratios of soil-respired CO2 to be depleted in 13C, reflecting a signal of lower photosynthetic water-use efficiency in the GPP that is transferred to the soil rhizosphere. Large-scale forest disturbance due to catastrophic tree mortality from mountain pine beetle attack causes an initial (2-3 year) reduction in Rs, which is attributable to the loss of GPP and its effect on Ra. This near-term reduction in Rs

  13. Variational versus Perturbational Treatment of Spin-Orbit Coupling in Relativistic Density Functional Calculations of Electronic g Factors: Effects from Spin-Polarization and Exact Exchange.

    PubMed

    Verma, Prakash; Autschbach, Jochen

    2013-02-12

    Different approaches are compared for relativistic calculations of electronic g factors of molecules with light atoms, transition metal complexes, and selected complexes with actinides, using density functional theory (DFT) and Hartree-Fock (HF) theory. The comparison includes functionals with range-separated exchange. Within the variationally stable zeroth-order regular approximation (ZORA) relativistic framework, g factors are obtained with a linear response (LR) method where spin-orbit (SO) coupling is treated as a linear perturbation, a spin-polarized approach based on magnetic anisotropy (MA) that includes SO coupling variationally, and a quasi-restricted variational SO method previously devised by van Lenthe, van der Avoird, and Wormer (LWA). The MA and LWA approaches were implemented in the open-source NWChem quantum chemistry package. We address the importance of electron correlation (DFT vs HF), the importance of including spin polarization in the g tensor methodology, the question of whether the use of nonrelativistic spin density functionals is adequate for such calculations, and the importance of treating spin-orbit coupling beyond first-order. For selected systems, the extent of the DFT delocalization error is explicitly investigated via calculations of the energy as a function of fractional electron numbers. For a test set of small molecules with light main group atoms, all levels of calculation perform adequately as long as there is no energetic near-degeneracy among occupied and unoccupied orbitals. The interplay between different factors determining the accuracy of calculated g factors becomes more complex for systems with heavy elements such as third row transition metals and actinides. The MA approach is shown to perform acceptably well for a wide range of scenarios. PMID:26588748

  14. Human Acellular Dermal Matrix Paired With Silver-zinc Coupled Electroceutical Dressing Results in Rapid Healing of Complicated Diabetic Wounds of Mixed Etiology: A Novel Case Series.

    PubMed

    Cole, Windy

    2016-07-01

    Patients with diabetes are well known for having difficult-to-close wounds. When additional factors are added, such as gouty tophi or tumors, the difficulty is compounded and conventional care often fails to heal the wound. In this case series, an innovative wound modality that combined a human acellular dermal matrix with a silver-zinc coupled electroceutical wound dressing was used in 3 particularly difficult and complex cases. In all 3 cases, this alternative treatment provided full healing within 6 weeks in wounds that conventional care had been unable to close in up to 2 years. PMID:27428719

  15. Characterization of the strongly coupled, low-frequency vibrational modes of the special pair of photosynthetic reaction centers via isotopic labeling of the cofactors

    SciTech Connect

    Czarnecki, K.; Diers, J.R.; Bocian, D.F.; Chynwat, V.; Erickson, J.P.; Frank, H.A.

    1997-01-15

    Low-frequency (50-425-cm{sup -1}), near-infrared-excitation resonance Raman (RR) spectra are reported for bacterial photosynthetic reaction centers (RCs) from Rhodobacter sphaeroides in which the bacteriochlorophyll (BChl) and bacteriopheophytin (BPh) cofactors are labeled with {sup 15}N or {sup 26}Mg. The focus of the study is the identification of the very low-frequency modes of the dimer of BChls (P) which are strongly coupled to the P{sup *} electronic transition which initiates the primary charge separation process in RCs. In order to gain a complete picture of the vibrational characteristics, the low-frequency RR spectra of the accessory BChls and the BPhs were examined in addition to those of P. The RR spectra of the isotopically labeled cofactors in the RCs were compared with one another and with the spectra obtained for solid-film samples of isolated, isotopically labeled BChl and BPh. Based on these comparisons and the predictions of semiempirical normal coordinate calculations, a self-consistent set of assignments has been developed for all the RR active modes of the different BChl and BPh cofactors in the RC which are observed in the very low-frequency regime (50-250 cm{sup -1}). The assignments indicate that the strongly coupled, low-frequency modes of P all involve either deformations localized on pyrrole ring I or the macrocycle core. 45 refs., 10 figs., 3 tabs.

  16. Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.

    PubMed

    Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio

    2015-08-01

    Simple yet ubiquitous multimolecular assembly systems with color-tunable emissions are realized by cooperative electron donor-acceptor interactions, such as the boron-nitrogen (B-N) dative bond as a Lewis acid-base pair and charge transfer (CT) interactions. These are ternary-component systems consisting of a naphthalenediimide derivative (NDI), tris(pentafluorophenyl)borane (TPFB), and aromatic molecules (guest) with an NDI:TPFB:guest ratio of 1:2:2. The crystal shows guest-dependent color-tunable emissions such as deep blue to orange when a guest molecule of benzene is replaced with other π-conjugated systems. A good correlation between the emission wavelength and ionization potential of the guest and electronic structure calculations indicated that the emission is due to the CT transition from the guest to the NDI. The present study suggests that a rational solution of multcomponent molecular puzzles would be useful for obtaining novel photofunctional solid-state systems. PMID:26211567

  17. Discrete symmetries and the propagator approach to coupled fermions in Quantum Field Theory. Generalities: The case of a single fermion-antifermion pair

    SciTech Connect

    Duret, Q.

    2010-10-15

    Starting from Wigner's symmetry representation theorem, we give a general account of discrete symmetries (parity P, charge conjugation C, time-reversal T), focusing on fermions in Quantum Field Theory. We provide the rules of transformation of Weyl spinors, both at the classical level (grassmanian wave functions) and quantum level (operators). Making use of Wightman's definition of invariance, we outline ambiguities linked to the notion of classical fermionic Lagrangian. We then present the general constraints cast by these transformations and their products on the propagator of the simplest among coupled fermionic system, the one made with one fermion and its antifermion. Last, we put in correspondence the propagation of C eigenstates (Majorana fermions) and the criteria cast on their propagator by C and CP invariance.

  18. A Coupled Formulation for Vadose Zone Transport of Multiple Gas Species With Plant Exchange Under Variable Gravity

    NASA Astrophysics Data System (ADS)

    Stothoff, S. A.

    2008-12-01

    Most plants require a balance between water availability and oxygen availability in the rooting zone. Procedures for raising plants under microgravity conditions, such as might be encountered in long-term space missions, face a special challenge: water redistribution is not affected by gravity, leading to difficulty in maintaining both water and oxygen levels in the rooting zone because flow is dominated by capillary properties. The plant substrate used for microgravity conditions is typically a coarse material that drains extremely rapidly under the fluctuating gravity conditions (0 to 1.8 G) experienced on KC-135 aircraft during flight parabolas. To evaluate control strategies for meeting plant water uptake and respiration needs under microgravity and to characterize flow redistribution under fluctuating gravity, a single formulation considering partial to full saturation was developed to cover this range of conditions. The fully coupled system of equations considers N>1 gaseous species, including water, that are all constituents in the liquid phase and in equilibrium between the gas and liquid phases where both phases are present. Plants are considered as separate quasi steady continua. Plant uptake and respiration, when considered, are defined using (possibly age dependent) transfer functions characterized by root length density. The formulation avoids complexities arising from switching variables when going from very dry to saturated conditions by using variables that are continuous throughout the domain: liquid pressure and N-1 mass fraction variables, expressed as partial capillary pressure. The mass fractions of all species in both phases are recovered from the standard equilibrium conditions used to define the partial capillary pressures. The use of partial capillary pressure state variables is inspired by mass balance considerations near saturation (where capillary pressure is almost zero), because mass balance convergence rates are dominated by the phase

  19. Helix coupling

    DOEpatents

    Ginell, W.S.

    1989-04-25

    A coupling for connecting helix members in series, which consists of a pair of U-shaped elements, one of which is attached to each helix end with the "U" sections of the elements interlocked. The coupling is particularly beneficial for interconnecting helical Nitinol elements utilized in thermal actuators or engines. Each coupling half is attached to the associated helix at two points, thereby providing axial load while being easily removed from the helix, and reusable.

  20. Helix coupling

    DOEpatents

    Ginell, W.S.

    1982-03-17

    A coupling for connecting helix members in series, which consists of a pair of U-shaped elements, one of which is attached to each helix end with the U sections of the elements interlocked. The coupling is particularly beneficial for interconnecting helical Nitinol elements utilized in thermal actuators or engines. Each coupling half is attached to the associated helix at two points, thereby providing axial load while being easily removed from the helix, and reusable.

  1. Griffiths phase, spin-phonon coupling, and exchange bias effect in double perovskite Pr{sub 2}CoMnO{sub 6}

    SciTech Connect

    Liu, Wenjie; Shi, Lei Zhou, Shiming; Zhao, Jiyin; Li, Yang; Guo, Yuqiao

    2014-11-21

    The ceramic Pr{sub 2}CoMnO{sub 6} of double perovskite structure is prepared by a solid-state reaction and the magnetic properties, phonon behaviors are studied in detail. Two ferromagnetic transitions at T{sub C1} ∼ 172 K and T{sub C2} ∼ 140 K are observed in the temperature-dependent magnetization curves, respectively. Furthermore, a detail analysis on the magnetic susceptibility reveals that a short-range ferromagnetic clustered state exists above T{sub C1}, which can be well described as the Griffiths phase with a well-defined Griffiths temperature T{sub G} ∼ 210 K. The presence of the B-site antisite defects is considered to contribute to the observed Griffiths singularity. Temperature-dependent Raman scattering experiment reveals an obvious softening of the phonon mode involving stretching vibrations of the (Co/Mn)O{sub 6} octahedra in FM temperature regions, indicating a close correlation between magnetism and lattice in Pr{sub 2}CoMnO{sub 6}. On the other hand, it is found that the phonon softening extends up to T{sub G}, which further confirms the preformation of the short-range ferromagnetic clusters up to T{sub G}. Moreover, the field-cooling magnetic hysteresis loop reveals that exchange bias phenomena is present, which is supposed to origin from the exchange coupling between Co/Mn ordered ferromagnetic phases with antiferromagnetic antiphase boundaries caused by the partially Co/Mn antisite disorders. These findings give a systematic understanding on the magnetic interaction in Pr{sub 2}CoMnO{sub 6} which is closely related to the lattice and atomic distribution, and add special interest for application of this material.

  2. Hydrogen exchange mass spectrometry reveals protein interfaces and distant dynamic coupling effects during the reversible self-association of an IgG1 monoclonal antibody

    PubMed Central

    Arora, Jayant; Hickey, John M; Majumdar, Ranajoy; Esfandiary, Reza; Bishop, Steven M; Samra, Hardeep S; Middaugh, C Russell; Weis, David D; Volkin, David B

    2015-01-01

    There is a need for new analytical approaches to better characterize the nature of the concentration-dependent, reversible self-association (RSA) of monoclonal antibodies (mAbs) directly, and with high resolution, when these proteins are formulated as highly concentrated solutions. In the work reported here, hydrogen exchange mass spectrometry (HX-MS) was used to define the concentration-dependent RSA interface, and to characterize the effects of association on the backbone dynamics of an IgG1 mAb (mAb-C). Dynamic light scattering, chemical cross-linking, and solution viscosity measurements were used to determine conditions that caused the RSA of mAb-C. A novel HX-MS experimental approach was then applied to directly monitor differences in local flexibility of mAb-C due to RSA at different protein concentrations in deuterated buffers. First, a stable formulation containing lyoprotectants that permitted freeze-drying of mAb-C at both 5 and 60 mg/mL was identified. Upon reconstitution with RSA-promoting deuterated solutions, the low vs. high protein concentration samples displayed different levels of solution viscosity (i.e., approx. 1 to 75 mPa.s). The reconstituted mAb-C samples were then analyzed by HX-MS. Two specific sequences covering complementarity-determining regions CDR2H and CDR2L (in the variable heavy and light chains, respectively) showed significant protection against deuterium uptake (i.e., decreased hydrogen exchange). These results define the major protein-protein interfaces associated with the concentration-dependent RSA of mAb-C. Surprisingly, certain peptide segments in the VH domain, the constant domain (CH2), and the hinge region (CH1-CH2 interface) concomitantly showed significant increases in local flexibility at high vs. low protein concentrations. These results indicate the presence of longer-range, distant dynamic coupling effects within mAb-C occurring upon RSA. PMID:25875351

  3. Simultaneous determination of Cr(iii) and Cr(vi) using reversed-phased ion-pairing liquid chromatography with dynamic reaction cell inductively coupled plasma mass spectrometry

    USGS Publications Warehouse

    Wolf, R.E.; Morrison, J.M.; Goldhaber, M.B.

    2007-01-01

    A method for the simultaneous determination of Cr(iii) and Cr(vi) species in waters, soil leachates and synthetic bio-fluids is described. The method uses reversed-phase ion-pairing liquid chromatography to separate the chromium species and a dynamic reaction cell (DRC??) equipped ICP-MS for detection of chromium. Separation of the chromium species is carried out in less than 2 min. Cr(iii) is complexed with ethylenediaminetetraacetic acid (EDTA) prior to separation by mixing samples with the mobile phase containing 2.0 mM tetrabutylammonium hydroxide (TBAOH), 0.5 mM EDTA (dipotassium salt), and 5% (vol/vol) methanol, adjusted to pH 7.6. The interfering 40Ar 12C+ background peak at mass 52 was reduced by over four orders of magnitude to less than 200 cps by using 0.65 mL min-1 ammonia as a reaction gas and an RPq setting on the DRC of 0.75. Method detection limits (MDLs) of 0.09 ??g L-1 for Cr(iii) and 0.06 ??g L-1 for Cr(vi) were obtained based on peak areas at mass 52 for 50 ??L injections of low level spikes. Reproducibility at 2 ??g L-1 was 3% RSD for 5 replicate injections. The tolerance of the method to various levels of common cations and anions found in natural waters and to matrix constituents found in soil leachates and simulated gastric and lung fluids was tested by performing spike recovery calculations for a variety of samples. ?? The Royal Society of Chemistry.

  4. Gas to particle conversion-gas exchange technique for direct analysis of metal carbonyl gas by inductively coupled plasma mass spectrometry.

    PubMed

    Nishiguchi, Kohei; Utani, Keisuke; Gunther, Detlef; Ohata, Masaki

    2014-10-21

    A novel gas to particle conversion-gas exchange technique for the direct analysis of metal carbonyl gas by inductively coupled plasma mass spectrometry (ICPMS) was proposed and demonstrated in the present study. The technique is based on a transfer of gas into particle, which can be directly analyzed by ICPMS. Particles from metal carbonyl gases such as Cr(CO)6, Mo(CO)6, and W(CO)6 are formed by reaction with ozone (O3) and ammonium (NH3) gases within a newly developed gas to particle conversion device (GPD). The reaction mechanism of the gas to particle conversion is based on either oxidation of metal carbonyl gas by O3 or agglomeration of metal oxide with ammonium nitrate (NH4NO3) which is generated by the reaction of O3 and NH3. To separate the reaction gases (remaining O3 and NH3) from the formed particles, a previously reported gas exchange device (GED) was used and the in argon stabilized analyte particles were directly introduced and measured by ICPMS. This new technique provided limits of detection (LOD) of 0.15 pL L(-1) (0.32 ng m(-3)), 0.02 pL L(-1) (0.07 ng m(-3)), and 0.01 pL L(-1) (0.07 ng m(-3)) for Cr(CO)6, Mo(CO)6, and W(CO)6, respectively, which were 4-5 orders of magnitude lower than those conventional applied for detecting these gases, e.g., gas chromatography with electron captured detector (GC-ECD) as well as Fourier transform-infrared spectroscopy (FT-IR). The achieved LODs were also similar or slightly better than those for ICPMS coupled to GC. Since the gas to particle conversion technique can achieve the direct measurement of metal carbonyl gases as well as the removal of reaction and ambient gases from metal carbonyl gases, the technique is considered to be well suited to monitor gas quality in semiconductor industry, engine exhaust gases, and or waste incineration products.

  5. Gas to particle conversion-gas exchange technique for direct analysis of metal carbonyl gas by inductively coupled plasma mass spectrometry.

    PubMed

    Nishiguchi, Kohei; Utani, Keisuke; Gunther, Detlef; Ohata, Masaki

    2014-10-21

    A novel gas to particle conversion-gas exchange technique for the direct analysis of metal carbonyl gas by inductively coupled plasma mass spectrometry (ICPMS) was proposed and demonstrated in the present study. The technique is based on a transfer of gas into particle, which can be directly analyzed by ICPMS. Particles from metal carbonyl gases such as Cr(CO)6, Mo(CO)6, and W(CO)6 are formed by reaction with ozone (O3) and ammonium (NH3) gases within a newly developed gas to particle conversion device (GPD). The reaction mechanism of the gas to particle conversion is based on either oxidation of metal carbonyl gas by O3 or agglomeration of metal oxide with ammonium nitrate (NH4NO3) which is generated by the reaction of O3 and NH3. To separate the reaction gases (remaining O3 and NH3) from the formed particles, a previously reported gas exchange device (GED) was used and the in argon stabilized analyte particles were directly introduced and measured by ICPMS. This new technique provided limits of detection (LOD) of 0.15 pL L(-1) (0.32 ng m(-3)), 0.02 pL L(-1) (0.07 ng m(-3)), and 0.01 pL L(-1) (0.07 ng m(-3)) for Cr(CO)6, Mo(CO)6, and W(CO)6, respectively, which were 4-5 orders of magnitude lower than those conventional applied for detecting these gases, e.g., gas chromatography with electron captured detector (GC-ECD) as well as Fourier transform-infrared spectroscopy (FT-IR). The achieved LODs were also similar or slightly better than those for ICPMS coupled to GC. Since the gas to particle conversion technique can achieve the direct measurement of metal carbonyl gases as well as the removal of reaction and ambient gases from metal carbonyl gases, the technique is considered to be well suited to monitor gas quality in semiconductor industry, engine exhaust gases, and or waste incineration products. PMID:25247610

  6. Coupled C, N and P controls on photosynthesis, primary production and decomposition across a land use intensification gradient and implications for land atmosphere C exchange

    NASA Astrophysics Data System (ADS)

    Reinsch, Sabine; Glanville, Helen; Smart, Simon; Jones, Davey; Mercado, Lina; Blanes-Alberola, Mamen; Cosby, Jack; Emmett, Bridget

    2016-04-01

    The coupling of C, N and P cycles has rarely been studied through the air- land-water continuum. This is essential if we are to enhance land-atmosphere models to account for N and P limitations. It is also important for developing integrated catchment management solutions to deliver improved water quality combined with a wide range of other ecosystem functions and services. We present results from a project which is part of the interdisciplinary pan-UK NERC Macronutrient Cycles Programme (macronutrient-cycles.ouce.ox.ac.uk/). Our aim is to quantify how coupled C, N & P cycles change across a land use intensification gradient from arable to grass, woodland and bog ecosystems and identify the implications for land-atmosphere C exchange. We focus on three key processes; photosynthesis, annual net primary productivity and decomposition and explore their consequences for biodiversity. Other aspects of the project track delivery to, and transformations within, the freshwater and coastal systems. When we explore relationships between C, N and P, results indicate all habitat types fall on a single land use intensification gradient. Stoichiometry suggests plant productivity is primarily N limited. P limitation occurs rarely but at all levels of intensification. Soil priming shows our soils are primarily C limited and, surprisingly, soil acidity provides one of the most powerful single predictors of processes and ecosystem services perhaps as it is a good integrator of many soil properties. Incorporating this knowledge into the UK land-atmosphere model JULES will improve aNPP projections. These are then being used as inputs into a plant species model called MULTIMOVE to enable future scenarios of climate change, land use and air pollution on habitat suitability for > 1400 plant species to be explored. The enhanced Jules model will ensure both N and P limitations on C fluxes from above and below-ground are incorporated into future UK scenario applications.

  7. Coupled C, N and P Controls on Photosynthesis, Primary Production and Decomposition across a Land Use Intensification Gradient and Implications for Land Atmosphere C Exchange

    NASA Astrophysics Data System (ADS)

    Reinsch, S.; Emmett, B.; Cosby, J.; Mercado, L. M.; Smart, S.; Glanville, H.; Alberola, M. B.; Clark, D.; Robinson, E.; Jones, D.

    2015-12-01

    The coupling of C, N and P cycles has rarely been studied through the air- land-water continuum. This is essential if we are to enhance land-atmosphere models to account for N and P limitations. It is also important for developing integrated catchment management solutions to deliver improved water quality combined with a wide range of other ecosystem functions and services.We present results from a project which is part of the interdisciplinary pan-UK NERC Macronutrient Cycles Programme (macronutrient-cycles.ouce.ox.ac.uk/). Our aim is to quantify how coupled C, N & P cycles change across a land use intensification gradient from arable to grass, woodland and bog ecosystems and identify the implications for land-atmosphere C exchange. We focus on three key processes; photosynthesis, annual net primary productivity (ANPP) and decomposition and explore their consequences for biodiversity. Other aspects of the project track delivery to, and transformations within, the freshwater and coastal systems. When we explore relationships between C, N and P, results indicate all habitat types fall on a single land use intensification gradient. Stoichiometry suggests plant productivity is primarily N limited. P limitation occurs rarely but at all levels of intensification. Soil priming shows our soils are primarily C limited and, surprisingly, soil acidity provides one of the most powerful single predictors of processes and ecosystem services perhaps as it is a good integrator of many soil properties. Incorporating this knowledge into the UK land-atmosphere model JULES will be used to improve ANPP projections. These will then be used as inputs into a plant species model called MULTIMOVE to enable future scenarios of climate change, land use and air pollution on habitat suitability for > 1400 plant species to be explored. The enhanced Jules model will ensure both N and P limitations on C fluxes from above and below-ground are incorporated into future UK scenario applications.

  8. Pairing Learners in Pair Work Activity

    ERIC Educational Resources Information Center

    Storch, Neomy; Aldosari, Ali

    2013-01-01

    Although pair work is advocated by major theories of second language (L2) learning and research findings suggest that pair work facilitates L2 learning, what is unclear is how to best pair students in L2 classes of mixed L2 proficiency. This study investigated the nature of pair work in an English as a Foreign Language (EFL) class in a college in…

  9. Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study.

    PubMed

    Mondal, Bhaskar; Neese, Frank; Ye, Shengfa

    2015-08-01

    The development of efficient catalysts with base metals for CO2 hydrogenation has always been a major thrust of interest. A series of experimental and theoretical work has revealed that the catalytic cycle typically involves two key steps, namely, base-promoted heterolytic H2 splitting and hydride transfer to CO2, either of which can be the rate-determining step (RDS) of the entire reaction. To explore the determining factor for the nature of RDS, we present herein a comparative mechanistic investigation on CO2 hydrogenation mediated by [M(H)(η(2)-H2)(PP3(Ph))](n+) (M = Fe(II), Ru(II), and Co(III); PP3(Ph) = tris(2-(diphenylphosphino)phenyl)phosphine) type complexes. In order to construct reliable free energy profiles, we used highly correlated wave function based ab initio methods of the coupled cluster type alongside the standard density functional theory. Our calculations demonstrate that the hydricity of the metal-hydride intermediate generated by H2 splitting dictates the nature of the RDS for the Fe(II) and Co(III) systems, while the RDS for the Ru(II) catalyst appears to be ambiguous. CO2 hydrogenation catalyzed by the Fe(II) complex that possesses moderate hydricity traverses an H2-splitting RDS, whereas the RDS for the high-hydricity Co(III) species is found to be the hydride transfer. Thus, our findings suggest that hydricity can be used as a practical guide in future catalyst design. Enhancing the electron-accepting ability of low-hydricity catalysts is likely to improve their catalytic performance, while increasing the electron-donating ability of high-hydricity complexes may speed up CO2 conversion. Moreover, we also established the active roles of base NEt3 in directing the heterolytic H2 splitting and assisting product release through the formation of an acid-base complex.

  10. The enhanced exchange coupled interaction in nanocrystalline Nd2Fe14B/Fe3B+ αFe alloys with improved microstructure

    NASA Astrophysics Data System (ADS)

    Gao, Youhui; Zhu, Jinghan; Weng, Yuqing; Byung Park, Eon; Jin Yang, Choong

    1999-01-01

    The effects of additives and heat-treatment conditions on the microstructure in nanocrystalline alloy Nd 2Fe 14B/Fe 3B+αFe were studied using H c(T)/M s(T) versus 2k 1(T)/μ 0M 2s(T) plots, TEM, and Mössbauer spectroscopy in this paper. It was found that the additives Hf and Ga improve the condition of the grain shapes, but simultaneously deteriorate the grain surfaces. Magnetic field heat-treatment not only induces grain refinement but also causes a uniform distribution of the soft and hard phases in this nanocomposite alloy. The influences of Hf, Ga and magnetic field heat-treatment are weakened upon increasing the annealing temperature. Furthermore, the magnetic interaction was examined using δM plot in this paper. It was found that the exchange coupled interaction is greatly enhanced in the sample annealed with magnetic heat-treatment, which has the highest energy product of (BH) max=15.8 MG Oe.

  11. Determination of Histamine in Silages Using Nanomaghemite Core (γ-Fe2O3)-Titanium Dioxide Shell Nanoparticles Off-Line Coupled with Ion Exchange Chromatography

    PubMed Central

    Cernei, Natalia; Lackova, Zuzana; Guran, Roman; Hynek, David; Skladanka, Jiri; Horky, Pavel; Zitka, Ondrej; Adam, Vojtech

    2016-01-01

    The presence of biogenic amines is a hallmark of degraded food and its products. Herein, we focused on the utilization of magnetic nanoparticles off-line coupled with ion exchange chromatography with post-column ninhydrin derivatization and Vis detection for histamine (Him) separation and detection. Primarily, we described the synthesis of magnetic nanoparticles with nanomaghemite core (γ-Fe2O3) functionalized with titanium dioxide and, then, applied these particles to specific isolation of Him. To obtain further insight into interactions between paramagnetic particles’ (PMP) surface and Him, a scanning electron microscope was employed. It was shown that binding of histamine causes an increase of relative current response of deprotonated PMPs, which confirmed formation of Him-PMPs clusters. The recovery of the isolation showed that titanium dioxide-based particles were able to bind and preconcentrate Him with recovery exceeding 90%. Finally, we successfully carried out the analyses of real samples obtained from silage. We can conclude that our modified particles are suitable for Him isolation, and thus may serve as the first isolation step of Him from biological samples, as it is demonstrated on alfalfa seed variety Tereza silage. PMID:27626434

  12. Determination of Histamine in Silages Using Nanomaghemite Core (γ-Fe₂O₃)-Titanium Dioxide Shell Nanoparticles Off-Line Coupled with Ion Exchange Chromatography.

    PubMed

    Cernei, Natalia; Lackova, Zuzana; Guran, Roman; Hynek, David; Skladanka, Jiri; Horky, Pavel; Zitka, Ondrej; Adam, Vojtech

    2016-01-01

    The presence of biogenic amines is a hallmark of degraded food and its products. Herein, we focused on the utilization of magnetic nanoparticles off-line coupled with ion exchange chromatography with post-column ninhydrin derivatization and Vis detection for histamine (Him) separation and detection. Primarily, we described the synthesis of magnetic nanoparticles with nanomaghemite core (γ-Fe₂O₃) functionalized with titanium dioxide and, then, applied these particles to specific isolation of Him. To obtain further insight into interactions between paramagnetic particles' (PMP) surface and Him, a scanning electron microscope was employed. It was shown that binding of histamine causes an increase of relative current response of deprotonated PMPs, which confirmed formation of Him-PMPs clusters. The recovery of the isolation showed that titanium dioxide-based particles were able to bind and preconcentrate Him with recovery exceeding 90%. Finally, we successfully carried out the analyses of real samples obtained from silage. We can conclude that our modified particles are suitable for Him isolation, and thus may serve as the first isolation step of Him from biological samples, as it is demonstrated on alfalfa seed variety Tereza silage. PMID:27626434

  13. Magnetic properties, exchange coupling and novel stripe domains in bulk SrFe12O19/(Ni,Zn)Fe2O4 composites

    NASA Astrophysics Data System (ADS)

    Xia, Ailin; Zuo, Conghua; Zhang, Lijiao; Cao, Chunxiang; Deng, Yong; Xu, Wei; Xie, Mingfu; Ran, Songlin; Jin, Chuangui; Liu, Xianguo

    2014-10-01

    Bulk SrFe12O19/(Ni0.4Zn0.6)Fe2O4 composite ferrites with mass ratios Rm = 2 : 1, 1 : 1 and 1 : 2 were prepared using nanopowders obtained via a hydrothermal method, and their phase composition, magnetic properties, exchange coupling (EC) and magnetic microstructures were systematically investigated. It is found that all the bulk specimens sintered at either 700 or 900 °C are composed of two phases but exhibit typical single-phase magnetic behaviours, indicating the existence of EC between the magnetically hard and soft phases. However, too much (Rm = 2 : 1) or too little (Rm = 1 : 2) soft (Ni0.4Zn0.6)Fe2O4 phase weakens the EC in the composites. It is also proved that except for the EC, the strengthening of chemical polarization of the internal chemical bonds affects saturation magnetization, and the size of nanoscale grains significantly influences the EC and magnetic properties. In addition, novel stripe domains are found in all of the bulk composite specimens, which could be ascribed to the magnetization of the soft (Ni,Zn)Fe2O4 phase induced by the hard SrFe12O19 phase.

  14. Tunable ferromagnetic and antiferromagnetic interfacial exchange coupling in perpendicularly magnetized L1{sub 0}-MnGa/Co{sub 2}FeAl Heusler bilayers

    SciTech Connect

    Ma, Q. L. Mizukami, S.; Zhang, X. M.; Miyazaki, T.

    2014-12-21

    In this work, we report a tailorable exchange coupling (J{sub ex}) at the Mn{sub 62}Ga{sub 38}/Co{sub 2}FeAl interface, where Mn{sub 62}Ga{sub 38} and Co{sub 2}FeAl alloys are tetragonal Heusler alloy with high perpendicular magnetic anisotropy and typical cubic Heusler alloy with soft magnetism, respectively. As the post annealing temperature (T{sub a}) is lower than 375 °C, the J{sub ex} is ferromagnetic with strength controllable from 7.5 to 0.5 erg/cm{sup 2}. Interestingly, as T{sub a} increases higher than 400 °C, an antiferromagnetic J{sub ex} of −5.5 erg/cm{sup 2} is observed. The ferromagnetic/antiferromagnetic transition is further evidenced by the spin dependent transport property of the magnetic tunnel junctions with Mn{sub 62}Ga{sub 38}/Co{sub 2}FeAl as electrode. Based on structure characterization, the variation of J{sub ex} during annealing is discussed.

  15. Anisotropy effects in magnetic hyperthermia: A comparison between spherical and cubic exchange-coupled FeO/Fe{sub 3}O{sub 4} nanoparticles

    SciTech Connect

    Khurshid, H. E-mail: sharihar@usf.edu; Nemati, Z.; Phan, M. H.; Mukherjee, P.; Srikanth, H. E-mail: sharihar@usf.edu; Alonso, J.; Fdez-Gubieda, M. L.; Barandiarán, J. M.

    2015-05-07

    Spherical and cubic exchange-coupled FeO/Fe{sub 3}O{sub 4} nanoparticles, with different FeO:Fe{sub 3}O{sub 4} ratios, have been prepared by a thermal decomposition method to probe anisotropy effects on their heating efficiency. X-ray diffraction and transmission electron microscopy reveal that the nanoparticles are composed of FeO and Fe{sub 3}O{sub 4} phases, with an average size of ∼20 nm. Magnetometry and transverse susceptibility measurements show that the effective anisotropy field is 1.5 times larger for the cubes than for the spheres, while the saturation magnetization is 1.5 times larger for the spheres than for the cubes. Hyperthermia experiments evidence higher values of the specific absorption rate (SAR) for the cubes as compared to the spheres (200 vs. 135 W/g at 600 Oe and 310 kHz). These observations point to an important fact that the saturation magnetization is not a sole factor in determining the SAR and the heating efficiency of the magnetic nanoparticles can be improved by tuning their effective anisotropy.

  16. Coupled Fe(II)-Fe(III) electron and atom exchange as a mechanism for Fe isotope fractionation during dissimilatory iron oxide reduction.

    PubMed

    Crosby, Heidi A; Johnson, Clark M; Roden, Eric E; Beard, Brian L

    2005-09-01

    Microbial dissimilatory iron reduction (DIR) is an important pathway for carbon oxidation in anoxic sediments, and iron isotopes may distinguish between iron produced by DIR and other sources of aqueous Fe(II). Previous studies have shown that aqueous Fe(II) produced during the earliest stages of DIR has delta56Fe values that are 0.5-2.0%o lowerthan the initial Fe(III) substrate. The new experiments reported here suggest that this fractionation is controlled by coupled electron and Fe atom exchange between Fe(II) and Fe(III) at iron oxide surfaces. In hematite and goethite reduction experiments with Geobacter sulfurreducens, the 56Fe/54Fe isotopic fractionation between aqueous Fe(II) and the outermost layers of Fe(III) on the oxide surface is approximately -3%o and can be explained by equilibrium Fe isotope partitioning between reactive Fe(II) and Fe(III) pools that coexist during DIR. The results indicate that sorption of Fe(II) to Fe(III) substrates cannot account for production of low-delta56Fe values for aqueous Fe(II) during DIR.

  17. Charge exchange in Be4+-H(n = 1, 2) collisions studied systematically by atomic-orbital close-coupling calculations

    NASA Astrophysics Data System (ADS)

    Igenbergs, K.; Schweinzer, J.; Aumayr, F.

    2009-12-01

    Charge exchange in Be4+-H(n = 1, 2) collisions was studied using the atomic-orbital close-coupling formalism in its impact parameter description and applying electron translational factors. Calculations were carried out in the energy range of 1-750 keV amu-1 with fully stripped beryllium ions impacting on atomic hydrogen in its ground state (1s) and in the excited n = 2 states. An optimized description of both collision centres was determined by analysing the convergence of the total cross sections and also by comparison with other theoretical approaches. This optimized description consists of up to 170 basis states involving hydrogen-like states and pseudostates. We present total, n-resolved as well as nell-resolved cross sections. The latter are needed to evaluate the emission cross sections in two limiting collisional plasma environments, i.e. single-collisional and multi-collisional. The calculated emission cross sections are compared with experimental data from the fusion experiment JET. Taking the experimental environment and certain characteristics of the theoretical methods into account, the agreement can be considered to be quite good.

  18. On-line anion exchange solid-phase extraction coupled to liquid chromatography with fluorescence detection to determine quinolones in water and human urine.

    PubMed

    Lara, Francisco J; Del Olmo-Iruela, Monsalud; García-Campaña, Ana M

    2013-10-01

    An analytical method based on on-line solid-phase extraction coupled to liquid chromatography with fluorescence detection has been developed to determine quinolones in tap water and human urine. A home-made setup was used to percolate 10 mL of sample through a solid-phase extraction column. Analytes were retained onto the sorbent by an anion exchange mechanism which ensures an optimum compatibility with the subsequent chromatographic separation. A C-18 column containing core-shell particles (2.6 μm) was used to achieve peak efficiencies up to 200,000 plates/m, at a flow rate of 1.2 mL/min and without the need for special pumps. The method allowed the determination of 11 quinolones directly in tap water samples in less than 20 min and with limits of detection ranging between 7 and 110 ng/L. The sensitivity achieved made possible the direct determination of 9 quinolones in human urine without any sample treatment, just dilution with water. Relative recoveries between 94 and 109% were obtained meaning that the matrix effect in human urine is negligible after dilution. Satisfactory results were also obtained in terms of precision since relative standard deviations were always below 13%. PMID:23992844

  19. Sequential photocatalyst-assisted digestion and vapor generation device coupled with anion exchange chromatography and inductively coupled plasma mass spectrometry for speciation analysis of selenium species in biological samples.

    PubMed

    Tsai, Yun-ni; Lin, Cheng-hsing; Hsu, I-hsiang; Sun, Yuh-chang

    2014-01-01

    We have developed an on-line sequential photocatalyst-assisted digestion and vaporization device (SPADVD), which operates through the nano-TiO2-catalyzed photo-oxidation and reduction of selenium (Se) species, for coupling between anion exchange chromatography (LC) and inductively coupled plasma mass spectrometry (ICP-MS) systems to provide a simple and sensitive hyphenated method for the speciation analysis of Se species without the need for conventional chemical digestion and vaporization techniques. Because our proposed on-line SPADVD allows both organic and inorganic Se species in the column effluent to be converted on-line into volatile Se products, which are then measured directly through ICP-MS, the complexity of the procedure and the probability of contamination arising from the use of additional chemicals are both low. Under the optimized conditions for SPADVD - using 1g of nano-TiO2 per liter, at pH 3, and illuminating for 80 s - we found that Se(IV), Se(VI), and selenomethionine (SeMet) were all converted quantitatively into volatile Se products. In addition, because the digestion and vaporization efficiencies of all the tested selenicals were improved when using our proposed on-line LC/SPADVD/ICP-MS system, the detection limits for Se(IV), Se(VI), and SeMet were all in the nanogram-per-liter range (based on 3σ). A series of validation experiments - analysis of neat and spiked extracted samples - indicated that our proposed methods could be applied satisfactorily to the speciation analysis of organic and inorganic Se species in the extracts of Se-enriched supplements. PMID:24331052

  20. Study of coupled transport and its effect on different electrochemical systems: Implications in high temperature energy storage batteries and proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Parthasarathy, Preethy

    Coupled transport is studied on two electrochemical systems: Na-ZnCl 2 batteries and Proton Exchange Membrane Fuel Cells (PEMFC). The energy storage system of interest here is based on sodium β"-alumina solid electrolyte (BASE): Na/BASE/ZnCl2. BASE is an excellent Na+ conductor with a very high conductivity at 300°C. Its high Na+ ion conductivity and high stability are the principal reasons for its application in electrochemical storage systems. A novel vapor phase process was invented facilitating the fabrication of high strength and moisture/CO 2 resistant BASE. A two-phase composite of alumiNa+YSZ is formed by sintering and exposed to Na2O vapor, keeping the activity of Na2O lower than that in NaAlO2. This prevents the formation of hygroscopic NaAlO2 at the grain boundaries. A thin layer of β"-alumina is formed on the surface upon exposure. Further reaction occurs by transporting Na+ ions through the formed β"-alumina and a parallel transport of O2- ions through YSZ. This occurs by a coupled transport of Na+ through β"-alumina and O 2- ions through YSZ, thus expediting the process. The second electrochemical system of interest is PEMFC. The degradation mechanism of catalysts is studied using inexpensive copper particles. The mechanism of growth involves a coupled transport of Cu2+ through the aqueous medium and an electron transport through the direct particle-to-particle contact. Effect of applied stress on coarsening of platinum was also investigated. Two platinum wires/foils were immersed in a PtCl4+DMSO (Dimethyl sulfoxide) solution. A tensile load was applied to one wire/foil and the other one was left load-free. The wire/foil subjected to a tensile load became cathodic with respect to the unstressed wire/foil. Thus, under a tensile stress, the chemical potential of Pt decreases. This result suggests design strategies for core-shell catalysts used in PEMFCs: stable core-shell catalysts for PEMFC with Pt shell should be designed such that the shell is

  1. High base pair opening rates in tracts of GC base pairs.

    PubMed

    Dornberger, U; Leijon, M; Fritzsche, H

    1999-03-12

    Sequence-dependent structural features of the DNA double helix have a strong influence on the base pair opening dynamics. Here we report a detailed study of the kinetics of base pair breathing in tracts of GC base pairs in DNA duplexes derived from 1H NMR measurements of the imino proton exchange rates upon titration with the exchange catalyst ammonia. In the limit of infinite exchange catalyst concentration, the exchange times of the guanine imino protons of the GC tracts extrapolate to much shorter base pair lifetimes than commonly observed for isolated GC base pairs. The base pair lifetimes in the GC tracts are below 5 ms for almost all of the base pairs. The unusually rapid base pair opening dynamics of GC tracts are in striking contrast to the behavior of AT tracts, where very long base pair lifetimes are observed. The implication of these findings for the structural principles governing spontaneous helix opening as well as the DNA-binding specificity of the cytosine-5-methyltransferases, where flipping of the cytosine base has been observed, are discussed.

  2. Pairing in bulk nuclear matter beyond BCS

    SciTech Connect

    Ding, D.; Dickhoff, W. H.; Dussan, H.; Witte, S. J.; Rios, A.; Polls, A.

    2014-10-15

    The influence of short-range correlations on the spectral distribution of neutrons is incorporated in the solution of the gap equation for the {sup 3}P{sub 2}−{sup 3}F{sub 2} coupled channel in pure neutron matter. This effect is studied for different realistic interactions including one based on chiral perturbation theory. The gap in this channel vanishes at all relevant densities due to the treatment of these correlations. We also consider the effect of long-range correlations by including polarization terms in addition to the bare interaction which allow the neutrons to exchange density and spin fluctuations governed by the strength of Landau parameters allowed to have reasonable values consistent with the available literature. Preliminary results indicate that reasonable values of these parameters do not generate a gap in the {sup 3}P{sub 2}−{sup 3}F{sub 2} coupled channel either for all three realistic interactions although the pairing interaction becomes slightly more attractive.

  3. Arrhythmogenic coupling between the Na+ -Ca2+ exchanger and inositol 1,4,5-triphosphate receptor in rat pulmonary vein cardiomyocytes.

    PubMed

    Okamoto, Yosuke; Takano, Makoto; Ohba, Takayoshi; Ono, Kyoichi

    2012-05-01

    Atrial fibrillation, the most common sustained arrhythmia, is believed to be triggered by ectopic electrical activity originating in the myocardial sleeves surrounding the pulmonary veins (PVs). It has been reported that myocardial sleeves have the potential to generate automaticity in response to norepinephrine. This study investigated the cellular mechanisms underlying norepinephrine-induced automaticity in PV cardiomyocytes isolated from rats. Application of 10 μM norepinephrine to PV cardiomyocytes induced repetitive and transient increases in intracellular Ca(2+) concentrations. The Ca(2+) transient was accompanied by depolarization, and induced automatic rhythmic action potentials at approximately 4Hz in perforated patch clamp preparations in 27% of myocytes were observed. When the recording mode was switched from current-clamp to voltage-clamp mode during the continuous presence of automaticity, an oscillatory current was observed. The oscillatory current was always inward, irrespective of the membrane potential, indicating that the current was derived mainly from the Na(+)-Ca(2+) exchanger (NCX). The norepinephrine-induced automaticity was suppressed by blocking either the β(1)- or α(1)-adrenoceptor. Additionally, this automaticity was blocked by inhibitors of phospholipase C and the inositol 1,4,5-triphosphate receptor (IP(3)R) but not by a protein kinase C inhibitor. We observed that the transverse-tubule system was enriched in cardiomyocytes in the PV, in contrast to those of the atrium, and that the NCX and IP(3)R were co-localized along transverse tubules. These findings suggest that a functional coupling between the NCX and IP(3)R causes arrhythmic excitability of the PV during the presence of combined β(1)- and α(1)-adrenoceptor stimulation.

  4. Concerted hydrogen atom exchange between three HF molecules

    NASA Technical Reports Server (NTRS)

    Komornicki, Andrew; Dixon, David A.; Taylor, Peter R.

    1992-01-01

    We have investigated the termolecular reaction involving concerted hydrogen exchange between three HF molecules, with particular emphasis on the effects of correlation at the various stationary points along the reaction. Using an extended basis, we have located the geometries of the stable hydrogen-bonded trimer, which is of C(sub 3h) symmetry, and the transition state for hydrogen exchange, which is of D(sub 3h) symmetry. The energies of the exchange reation were then evaluated at the correlated level, using a large atomic natural orbital basis and correlating all valence electrons. Several correlation treatments were used, namely, configration interaction with single and double excitations, coupled-pair functional, and coupled-cluster methods. We are thus able to measure the effect of accounting for size-extensivity. Zero-point corrections to the correlated level energetics were determined using analytic second derivative techniques at the SCF level. Our best calculations, which include the effects of connected triple excitations in the coupled-cluster procedure, indicate that the trimer is bound by 9 +/- 1 kcal/mol relative to three separate monomers, in excellent agreement with previous estimates. The barrier to concerted hydrogen exchange is 15 kcal/mol above the trimer, or only 4.7 kcal/mol above three separated monomers. Thus the barrier to hydrogen exchange between HF molecules via this termolecular process is very low.

  5. Néel temperature of Cr{sub 2}O{sub 3} in Cr{sub 2}O{sub 3}/Co exchange-coupled system: Effect of buffer layer

    SciTech Connect

    Pati, Satya Prakash E-mail: phy-satya@yahoo.co.in; Shimomura, Naoki; Nozaki, Tomohiro; Sahashi, Masashi; Shibata, Tatsuo

    2015-05-07

    The lattice parameter dependence of the Néel temperature T{sub N} of thin Cr{sub 2}O{sub 3} in a Cr{sub 2}O{sub 3}/Co exchange-coupled system is investigated. Lattice-mismatch-induced strain is generated in Cr{sub 2}O{sub 3} by using different buffer layers. The lattice parameters are determined from out-of-plane and in-plane X-ray diffraction measurements. The Néel temperature is detected by direct temperature-dependent magnetization measurement as well as the temperature-dependent interface exchange coupling energy. It is observed that in-plane lattice contraction can enhance T{sub N} in Cr{sub 2}O{sub 3}, which is consistent with theoretical calculations.

  6. Single Domain SmCo5@Co Exchange-coupled Magnets Prepared from Core/shell Sm[Co(CN)6]·4H2O@GO Particles: A Novel Chemical Approach

    PubMed Central

    Yang, Ce; Jia, Lihui; Wang, Shouguo; Gao, Chen; Shi, Dawei; Hou, Yanglong; Gao, Song

    2013-01-01

    SmCo5 based magnets with smaller size and larger maximum energy product have been long desired in various fields such as renewable energy technology, electronic industry and aerospace science. However, conventional relatively rough synthetic strategies will lead to either diminished magnetic properties or irregular morphology, which hindered their wide applications. In this article, we present a facile chemical approach to prepare 200 nm single domain SmCo5@Co core/shell magnets with coercivity of 20.7 kOe and saturation magnetization of 82 emu/g. We found that the incorporation of GO sheets is responsible for the generation of the unique structure. The single domain SmCo5 core contributes to the large coercivity of the magnets and the exchange-coupled Co shell enhances the magnetization. This method can be further utilized in the synthesis other Sm-Co based exchange-coupled magnets. PMID:24356309

  7. Spin excitations used to probe the nature of exchange coupling in the magnetically ordered ground state of Pr0.5Ca0.5MnO3

    NASA Astrophysics Data System (ADS)

    Ewings, R. A.; Perring, T. G.; Sikora, O.; Abernathy, D. L.; Tomioka, Y.; Tokura, Y.

    2016-07-01

    We have used time-of-flight inelastic neutron scattering to measure the spin wave spectrum of the canonical half-doped manganite Pr0.5Ca0.5MnO3 in its magnetic and orbitally ordered phase. The data, which cover multiple Brillouin zones and the entire energy range of the excitations, are compared with several different models that are all consistent with CE-type magnetic order, but arise through different exchange coupling schemes. The Goodenough model, i.e., an ordered state comprising strong nearest-neighbor ferromagnetic interactions along zigzag chains with antiferromagnetic interchain coupling, provides the best description of the data, provided that further neighbor interactions along the chains are included. We are able to rule out a coupling scheme involving formation of strongly bound ferromagnetic dimers, i.e., Zener polarons, on the basis of gross features of the observed spin wave spectrum. A model with weaker dimerization reproduces the observed dispersion but can be ruled out on the basis of discrepancies between the calculated and observed structure factors at certain positions in reciprocal space. Adding further neighbor interactions results in almost no dimerization, i.e., recovery of the Goodenough model. These results are consistent with theoretical analysis of the degenerate double exchange model for half-doping, and provide a recipe for how to interpret future measurements away from half-doping, where degenerate double exchange models predict more complex ground states.

  8. Spontaneous formation of inert oscillator pairs

    NASA Astrophysics Data System (ADS)

    Tsygankov, Denis; Wiesenfeld, Kurt

    2004-05-01

    We describe a peculiar type of spontaneous synchronization in a transmission line studded with nonlinear oscillators. After a transient period of complicated interactions, the elements form strongly synchronized pairs with interactions between these pairs virtually nil. The creation of these “dynamical dimers” appears to stem from the coupling intrinsic to transmission lines rather than any specific property of the nonlinear oscillators.

  9. Characterization and quantification of racemic and meso-ethylenediamine-N,N'-bis(2-hydroxy-5-sulfophenylacetic) acid/iron (III) by ion-pair ultra-high performance liquid chromatography coupled with diode array detector and electrospray tandem mass spectrometry.

    PubMed

    Biasone, Alessandro; Cianci, Giusto; Di Tommaso, Donata; Piaggesi, Alberto; Tagliavini, Emilio; Galletti, Paola; Moretti, Fabio

    2013-03-22

    EDDHSA/Fe is a promising substitute of EDDHA/Fe to fight iron chlorosis. o,o-EDDHSA structure contains two chiral carbons giving the racemic and meso couples of stereoisomers. Ion-pair HPLC and UHPLC-UV/Vis-ESI-MS/MS methods were developed for the determination of racemic and meso-o,o-EDDHSA/Fe in commercial samples of chelates. The lack of a commercial EDDHSA standard was overcome by sulfonation of a commercial available o,o-EDDHA standard and subsequent quantification by (1)H-NMR. Assignment of configurations was carried out starting from racemic and meso-o,o-EDDHA/Fe by direct sulfonation to give the corresponding o,o-EDDHSA/Fe isomers. The performances of these methods were assessed in terms of intra and inter-day precision, linearity and selectivity. The high selectivity and lower detection limit (nanomolar) of the UHPLC-ESI-MS/MS method could allow to deepen the knowledge relative to meso and rac-o,o-EDDHSA/Fe interactions with plants, its fate in different soil conditions, its mobility and other environmental aspects. PMID:23411145

  10. Powered Tate Pairing Computation

    NASA Astrophysics Data System (ADS)

    Kang, Bo Gyeong; Park, Je Hong

    In this letter, we provide a simple proof of bilinearity for the eta pairing. Based on it, we show an efficient method to compute the powered Tate pairing as well. Although efficiency of our method is equivalent to that of the Tate pairing on the eta pairing approach, but ours is more general in principle.

  11. Heterometallic Fe2 (II) -U(V) and Ni2 (II) -U(V) Exchange-Coupled Single-Molecule Magnets: Effect of the 3 d Ion on the Magnetic Properties.

    PubMed

    Chatelain, Lucile; Pécaut, Jacques; Tuna, Floriana; Mazzanti, Marinella

    2015-12-01

    Uranium-based compounds have been put forward as ideal candidates for the design of single-molecule magnets (SMMs) with improved properties, but to date, only two examples of exchange-coupled 3d-5f SMM containing uranium have been reported and both are based on the Mn(II) ion. Here we have synthesized the first examples of exchange-coupled uranium SMMs based on Fe(II) and Ni(II) . The SMM behavior of these complexes containing a quasi linear {M-O=U=O-M} core arises from intramolecular Fe-U and Ni-U exchange interactions combined with the high Ising anisotropy of the uranyl(V) moiety. The measured values of the relaxation barrier (53.9±0.9 K in the UFe2 complex and of 27.4±0.5 K in the UNi2 complex) show clearly the dependency on the spin value of the transition metal, providing important new information for the future design of improved uranium-based SMMs.

  12. Comparative metabolomics analysis on invigorating blood circulation for herb pair Gui-Hong by ultra-high-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry and pattern recognition approach.

    PubMed

    Li, Shujiao; Lin, Hang; Tang, Yuping; Li, Weixia; Shen, Juan; Kai, Jun; Yue, Shijun; Shang, Guanxiong; Zhu, Zhenhua; Shang, Erxin; Zhang, Changbin; Zhang, Li; Yan, Hui; Liu, Pei; Duan, Jin-ao

    2015-03-25

    The compatibility of Angelicae Sinensis Radix (Danggui, DG) and Flos Carthami (Honghua, HH), a famous herb pair Gui-Hong (GH), can produce synergistic and promoting blood effects. Although some physiological and pathological function parameters of the acute blood stasis have been investigated, little information about the changes of small metabolites in biofluids has been reported. In present study, global metabolic profiling with ultra-high-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF/MS) combined with pattern recognition method was performed to discover the underlying blood-activating regulation mechanisms of DG, HH and GH on the acute blood stasis rats induced by subcutaneous injection of adrenaline hydrochloride and ice water bath. The total 14 metabolites (10 in urine and 4 in plasma), up regulated or down regulated (P<0.05 or 0.01), were identified and contributed to the acute blood stasis progress. These promising identified biomarkers underpin the metabolic pathway including phenylalanine metabolism, sphingolipid metabolism, arachidonic acid metabolism and arginine and proline metabolism are disturbed in the acute blood stasis rats, which identified by using pathway analysis with MetPA. The altered metabolites and hemorheological indexes could be regulated closer to normal level after DG, HH and GH intervention. In term of activate blood circulation function, GH was the most effective as shown by the relative distance in PLS-DA score plots and relative intensity of metabolomics trategy, reflecting the synergic action between Danggui and Honghua. The results demonstrated that biofluids metabolomics was a powerful tool in clinical diagnosis and treatment of syndrome of blood stasis for providing information on changes in metabolites pathways. PMID:25668798

  13. Suppression of decoherence and disentanglement by the exchange interaction

    SciTech Connect

    De, Amrit; Lang, Alex; Zhou Dong; Joynt, Robert

    2011-04-15

    Entangled qubit pairs can serve as a quantum memory or as a resource for quantum communication. The utility of such pairs is measured by how long they take to disentangle or decohere. To answer the question of whether qubit-qubit interactions can prolong entanglement, we calculate the dissipative dynamics of a pair of qubits coupled via the exchange interaction in the presence of random telegraph noise and 1/f noise. We show that for maximally entangled (Bell) states, the exchange interaction generally suppresses decoherence and disentanglement. This suppression is more apparent for random telegraph noise if the noise is non-Markovian, whereas for 1/f noise the exchange interaction should be comparable in magnitude to the strongest noise source. The entangled singlet-triplet superposition state of two qubits ({psi}{sub {+-}} Bell state) can be protected by the interaction, while for the triplet-triplet state ({phi}{sub {+-}} Bell state), it is less effective. Thus the former is more suitable for encoding quantum information.

  14. Exchange Interaction Makes Superconductivity in 3D Dirac Semi-metal Triplet

    NASA Astrophysics Data System (ADS)

    Rosenstein, B.; Shapiro, B. Ya.; Li, Dingping; Shapiro, I.

    2015-04-01

    Conventional electron-phonon coupling induces either odd (triplet) or even (singlet) pairing states in a time reversal and inversion invariant Dirac semi-metal. In a certain range of the chemical potential and parameters characterizing the pairing attraction (effective electron-electron coupling constant and the Debye energy ) the energy of the singlet although always lower, prevails by a very slim margin over the triplet. This means that interactions that are small but discriminate between the spin singlet and the spin triplet determine the nature of the superconducting order there. It is shown that in materials close enough to the Dirac point ( ) a moderate exchange constant (below Stoner instability to ferromagnetism) stabilizes the odd pairing superconducting state. The 3D quantum critical point at of transition to the triplet superconductivity governs the physics of the superconductor.

  15. Optical emission of a molecular nanoantenna pair

    NASA Astrophysics Data System (ADS)

    Rice, E. M.; Andrews, D. L.

    2012-06-01

    The optical emission from a pair of nanoantennas is investigated within the theoretical framework of quantum electrodynamics. The analysis of fluorescent emission from a pair of molecular antenna species in close proximity is prompted by experimental work on oriented semiconductor polymer nanostructures. Each physically different possibility for separation-dependent features in photon emission by any such pair is explored in detail, leading to the identification of three distinct mechanisms: emission from a pair-delocalized exciton state, emission that engages electrodynamic coupling through quantum interference, and correlated photon emission from the two components of the pair. Although each mechanism produces a damped oscillatory dependence on the pair separation, each of the corresponding results exhibits an analytically different form. Significant differences in the associated spatial frequencies enable an apparent ambiguity in the interpretation of experiments to be resolved. Other major differences are found in the requisite conditions, the associated selection rules, and the variation with angular disposition of the emitters, together offering grounds for experimental discrimination between the coupling mechanisms. The analysis paves the way for investigations of pair-wise coupling effects in the emission from nanoantenna arrays.

  16. Pressurized bellows flat contact heat exchanger interface

    NASA Technical Reports Server (NTRS)

    Voss, Fred E. (Inventor); Howell, Harold R. (Inventor); Winkler, Roger V. (Inventor)

    1990-01-01

    Disclosed is an interdigitated plate-type heat exchanger interface. The interface includes a modular interconnect to thermally connect a pair or pairs of plate-type heat exchangers to a second single or multiple plate-type heat exchanger. The modular interconnect comprises a series of parallel, plate-type heat exchangers arranged in pairs to form a slot therebetween. The plate-type heat exchangers of the second heat exchanger insert into the slots of the modular interconnect. Bellows are provided between the pairs of fins of the modular interconnect so that when the bellows are pressurized, they drive the plate-type heat exchangers of the modular interconnect toward one another, thus closing upon the second heat exchanger plates. Each end of the bellows has a part thereof a thin, membrane diaphragm which readily conforms to the contours of the heat exchanger plates of the modular interconnect when the bellows is pressurized. This ensures an even distribution of pressure on the heat exchangers of the modular interconnect thus creating substantially planar contact between the two heat exchangers. The effect of the interface of the present invention is to provide a dry connection between two heat exchangers whereby the rate of heat transfer can be varied by varying the pressure within the bellows.

  17. Small-dilution correction to the spin-wave dispersion in the Heisenberg ferromagnet with first-, second-, and third-neighbor exchange coupling

    NASA Astrophysics Data System (ADS)

    Tahir-Kheli, R. A.

    1984-02-01

    An exact expression for the small-dilution correction to the long-wavelength spin-wave dispersion in Heisenberg ferromagnets at low temperatures is derived by the transcription of the analysis of the preceding paper. Numerical results to six decimal places are presented for a variety of exchange integrals extending up to the third-neighbor shell.

  18. Aberration corrected emittance exchange

    NASA Astrophysics Data System (ADS)

    Nanni, E. A.; Graves, W. S.

    2015-08-01

    Full exploitation of emittance exchange (EEX) requires aberration-free performance of a complex imaging system including active radio-frequency (rf) elements which can add temporal distortions. We investigate the performance of an EEX line where the exchange occurs between two dimensions with normalized emittances which differ by multiple orders of magnitude. The transverse emittance is exchanged into the longitudinal dimension using a double dogleg emittance exchange setup with a five cell rf deflector cavity. Aberration correction is performed on the four most dominant aberrations. These include temporal aberrations that are corrected with higher order magnetic optical elements located where longitudinal and transverse emittance are coupled. We demonstrate aberration-free performance of an EEX line with emittances differing by four orders of magnitude, i.e., an initial transverse emittance of 1 pm-rad is exchanged with a longitudinal emittance of 10 nm-rad.

  19. Paired comparison of water, energy and carbon exchanges over two young maritime pine stands (Pinus pinaster Ait.): effects of thinning and weeding in the early stage of tree growth.

    PubMed

    Moreaux, Virginie; Lamaud, Eric; Bosc, Alexandre; Bonnefond, Jean-Marc; Medlyn, Belinda E; Loustau, Denis

    2011-09-01

    The effects of management practices on energy, water and carbon exchanges were investigated in a young pine plantation in south-west France. In 2009-10, carbon dioxide (CO(2)), H(2)O and heat fluxes were monitored using the eddy covariance and sap flow techniques in a control plot (C) with a developed gorse layer, and an adjacent plot that was mechanically weeded and thinned (W). Despite large differences in the total leaf area index and canopy structure, the annual net radiation absorbed was only 4% lower in plot W. We showed that higher albedo in this plot was offset by lower emitted long-wave radiation. Annual evapotranspiration (ET) from plot W was 15% lower, due to lower rainfall interception and transpiration by the tree canopy, partly counterbalanced by the larger evaporation from both soil and regrowing weedy vegetation. The drainage belowground from plot W was larger by 113 mm annually. The seasonal variability of ET was driven by the dynamics of the soil and weed layers, which was more severely affected by drought in plot C. Conversely, the temporal changes in pine transpiration and stem diameter growth were synchronous between sites despite higher soil water content in the weeded plot. At the annual scale, both plots were carbon sinks, but thinning and weeding reduced the carbon uptake by 73%: annual carbon uptake was 243 and 65 g C m(-2) on plots C and W, respectively. Summer drought dramatically impacted the net ecosystem exchange: plot C became a carbon source as the gross primary production (GPP) severely decreased. However, plot W remained a carbon sink during drought, as a result of decreases in both GPP and ecosystem respiration (R(E)). In winter, both plots were carbon sources, plots C and W emitting 67.5 and 32.4 g C m(-2), respectively. Overall, this study highlighted the significant contribution of the gorse layer to mass and energy exchange in young pine plantations. PMID:21724584

  20. Detecting a preformed pair phase: Response to a pairing forcing field

    NASA Astrophysics Data System (ADS)

    Tagliavini, A.; Capone, M.; Toschi, A.

    2016-10-01

    The normal state of strongly coupled superconductors is characterized by the presence of "preformed" Cooper pairs well above the superconducting critical temperature. In this regime, the electrons are paired, but they lack the phase coherence necessary for superconductivity. The existence of preformed pairs implies the existence of a characteristic energy scale associated with a pseudogap. Preformed pairs are often invoked to interpret systems where some signatures of pairing are present without actual superconductivity, but an unambiguous theoretical characterization of a preformed-pair system is still lacking. To fill this gap, we consider the response to an external pairing field of an attractive Hubbard model, which hosts one of the cleanest realizations of a preformed pair phase, and a repulsive model where s -wave superconductivity cannot be realized. Using dynamical mean-field theory to study this response, we identify the characteristic features which distinguish the reaction of a preformed pair state from a normal metal without any precursor of pairing. The theoretical detection of preformed pairs is associated with the behavior of the second derivative of the order parameter with respect to the external field, as confirmed by analytic calculations in limiting cases. Our findings provide a solid test bed for the interpretation of state-of-the-art calculations for the normal state of the doped Hubbard model in terms of d -wave preformed pairs and, in perspective, of nonequilibrium experiments in high-temperature superconductors.