WorldWideScience

Sample records for homonuclear dipolar coupling

  1. Exact solutions for chemical bond orientations from residual dipolar couplings

    International Nuclear Information System (INIS)

    Wedemeyer, William J.; Rohl, Carol A.; Scheraga, Harold A.

    2002-01-01

    New methods for determining chemical structures from residual dipolar couplings are presented. The fundamental dipolar coupling equation is converted to an elliptical equation in the principal alignment frame. This elliptical equation is then combined with other angular or dipolar coupling constraints to form simple polynomial equations that define discrete solutions for the unit vector(s). The methods are illustrated with residual dipolar coupling data on ubiquitin taken in a single anisotropic medium. The protein backbone is divided into its rigid groups (namely, its peptide planes and C α frames), which may be solved for independently. A simple procedure for recombining these independent solutions results in backbone dihedral angles φ and ψ that resemble those of the known native structure. Subsequent refinement of these φ-ψ angles by the ROSETTA program produces a structure of ubiquitin that agrees with the known native structure to 1.1 A C α rmsd

  2. A practical strategy for the accurate measurement of residual dipolar couplings in strongly aligned small molecules

    Science.gov (United States)

    Liu, Yizhou; Cohen, Ryan D.; Martin, Gary E.; Williamson, R. Thomas

    2018-06-01

    Accurate measurement of residual dipolar couplings (RDCs) requires an appropriate degree of alignment in order to optimize data quality. An overly weak alignment yields very small anisotropic data that are susceptible to measurement errors, whereas an overly strong alignment introduces extensive anisotropic effects that severely degrade spectral quality. The ideal alignment amplitude also depends on the specific pulse sequence used for the coupling measurement. In this work, we introduce a practical strategy for the accurate measurement of one-bond 13C-1H RDCs up to a range of ca. -300 to +300 Hz, corresponding to an alignment that is an order of magnitude stronger than typically employed for small molecule structural elucidation. This strong alignment was generated in the mesophase of the commercially available poly-γ-(benzyl-L-glutamate) polymer. The total coupling was measured by the simple and well-studied heteronuclear two-dimensional J-resolved experiment, which performs well in the presence of strong anisotropic effects. In order to unequivocally determine the sign of the total coupling and resolve ambiguities in assigning total couplings in the CH2 group, coupling measurements were conducted at an isotropic condition plus two anisotropic conditions of different alignment amplitudes. Most RDCs could be readily extracted from these measurements whereas more complicated spectral effects resulting from strong homonuclear coupling could be interpreted either theoretically or by simulation. Importantly, measurement of these very large RDCs actually offers significantly improved data quality and utility for the structure determination of small organic molecules.

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  4. Coherent manipulation of dipolar coupled spins in an anisotropic environment

    Science.gov (United States)

    Baibekov, E. I.; Gafurov, M. R.; Zverev, D. G.; Kurkin, I. N.; Malkin, B. Z.; Barbara, B.

    2014-11-01

    We study coherent dynamics in a system of dipolar coupled spin qubits diluted in a solid and subjected to a driving microwave field. In the case of rare earth ions, an anisotropic crystal background results in anisotropic g tensor and thus modifies the dipolar coupling. We develop a microscopic theory of spin relaxation in a transient regime for the frequently encountered case of axially symmetric crystal field. The calculated decoherence rate is nonlinear in the Rabi frequency. We show that the direction of a static magnetic field that corresponds to the highest spin g factor is preferable in order to obtain a higher number of coherent qubit operations. The results of calculations are in excellent agreement with our experimental data on Rabi oscillations recorded for a series of CaW O4 crystals with different concentrations of N d3 + ions.

  5. A new approach for applying residual dipolar couplings as restraints in structure elucidation

    International Nuclear Information System (INIS)

    Meiler, Jens; Blomberg, Niklas; Nilges, Michael; Griesinger, Christian

    2000-01-01

    Residual dipolar couplings are useful global structural restraints. The dipolar couplings define the orientation of a vector with respect to the alignment tensor. Although the size of the alignment tensor can be derived from the distribution of the experimental dipolar couplings, its orientation with respect to the coordinate system of the molecule is unknown at the beginning of structure determination. This causes convergence problems in the simulated annealing process. We therefore propose a protocol that translates dipolar couplings into intervector projection angles, which are independent of the orientation of the alignment tensor with respect to the molecule. These restraints can be used during the whole simulated annealing protocol

  6. Quantitative conformational analysis of the core region of N-glycans using residual dipolar couplings, aqueous molecular dynamics, and steric alignment

    International Nuclear Information System (INIS)

    Almond, Andrew; Duus, Jens O.

    2001-01-01

    A method is described for quantitatively investigating the dynamic conformation of small oligosaccharides containing an α(1 → 6) linkage. It was applied to the oligosaccharide Man-α(1 → 3) {Man-α (1 → 6)}Man-α-O-Me, which is a core region frequently observed in N-linked glycans. The approach tests an aqueous molecular dynamics simulation, capable of predicting microscopic dynamics, against experimental residual dipolar couplings, by assuming that alignment is caused purely by steric hindrance. The experimental constraints were heteronuclear and homonuclear residual dipolar couplings, and in particular those within the α(1 → 6) linkage itself. Powerful spin-state-selective pulse sequences and editing schemes were used to obtain the most relevant couplings for testing the model. Molecular dynamics simulations in water over a period of 50 ns were not able to predict the correct rotamer population at the α(1 → 6) linkage to agree with the experimental data. However, this sampling problem could be corrected using a simple maximum likelihood optimisation, indicating that the simulation was modelling local dynamics correctly. The maximum likelihood prediction of the residual dipolar couplings was found to be an almost equal population of the gg and gt rotamer conformations at the α(1 → 6) linkage, and the tg conformation was predicted to be unstable and unpopulated in aqueous solution. In this case all twelve measured residual dipolar couplings could be satisfied. This conformer population could also be used to make predictions of scalar couplings with the use of a previously derived empirical equation, and is qualitatively in agreement with previous predictions based on NMR, X-ray crystallography and optical data

  7. Structure refinement of flexible proteins using dipolar couplings: Application to the protein p8MTCP1

    International Nuclear Information System (INIS)

    Demene, Helene; Ducat, Thierry; Barthe, Philippe; Delsuc, Marc-Andre; Roumestand, Christian

    2002-01-01

    The present study deals with the relevance of using mobility-averaged dipolar couplings for the structure refinement of flexible proteins. The 68-residue protein p8 MTCP1 has been chosen as model for this study. Its solution state consists mainly of three α-helices. The two N-terminal helices are strapped in a well-determined α-hairpin, whereas, due to an intrinsic mobility, the position of the third helix is less well defined in the NMR structure. To further characterize the degrees of freedom of this helix, we have measured the dipolar coupling constants in the backbone of p8 MTCP1 in a bicellar medium. We show here that including D HN dip dipolar couplings in the structure calculation protocol improves the structure of the α-hairpin but not the positioning of the third helix. This is due to the motional averaging of the dipolar couplings measured in the last helix. Performing two calculations with different force constants for the dipolar restraints highlights the inconstancy of these mobility-averaged dipolar couplings. Alternatively, prior to any structure calculations, comparing the values of the dipolar couplings measured in helix III to values back-calculated from an ideal helix demonstrates that they are atypical for a helix. This can be partly attributed to mobility effects since the inclusion of the 15 N relaxation derived order parameter allows for a better fit

  8. Fast and simultaneous determination of 1 H-1 H and 1 H-19 F scalar couplings in complex spin systems: Application of PSYCHE homonuclear broadband decoupling.

    Science.gov (United States)

    Kakita, Veera Mohana Rao; Rachineni, Kavitha; Hosur, Ramakrishna V

    2017-07-21

    The present manuscript focuses on fast and simultaneous determination of 1 H- 1 H and 1 H- 19 F scalar couplings in fluorinated complex steroid molecules. Incorporation of broadband PSYCHE homonuclear decoupling in the indirect dimension of zero-quantum filtered diagonal experiments (F1-PSYCHE-DIAG) suppresses 1 H- 1 H scalar couplings; however, it retains 1 H- 19 F scalar couplings (along F1 dimension) for the 19 F coupled protons while preserving the pure-shift nature for 1 H resonances uncoupled to 19 F. In such cases, along the direct dimensions, 1 H- 1 H scalar coupling multiplets deconvolute and they appear as duplicated multiplets for the 19 F coupled protons, which facilitates unambiguous discrimination of 19 F coupled 1 H chemical sites from the others. Further, as an added advantage, data acquisition has been accelerated by invoking the known ideas of spectral aliasing in the F1-PSYCHE-DIAG scheme and experiments demand only ~10 min of spectrometer times. Copyright © 2017 John Wiley & Sons, Ltd.

  9. A liquid crystalline medium for measuring residual dipolar couplings over a wide range of temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Wang Hong; Eberstadt, Matthias; Olejniczak, Edward T.; Meadows, Robert P.; Fesik, Stephen W. [Abbott Laboratories (United States)

    1998-10-15

    A mixture of dilauroyl phosphatidylcholine (DLPC) and 3-(cholamidopropyl)dimethylammonio-2-hydroxyl-1-propane sulfonate (CHAPSO) in water forms disc shaped bicelles that become ordered at high magnetic fields over a wide range of temperatures. As illustrated for the FK506 binding protein (FKBP), large residual dipolar couplings can be measured for proteins dissolved in low concentrations (5% w/v) of a DLPC/CHAPSO medium at a molar ratio of 4.2:1. This system is especially useful for measuring residual dipolar couplings for molecules that are only stable at low temperatures.

  10. Residual dipolar couplings : a new technique for structure determination of proteins in solution

    NARCIS (Netherlands)

    van Lune, Frouktje Sapke

    2004-01-01

    The aim of the work described in this thesis was to investigate how residual dipolar couplings can be used to resolve or refine the three-dimensional structure of one of the proteins of the phosphoenol-pyruvate phosphotransferase system (PTS), the main transport system for carbohydrates in

  11. Determination of protein global folds using backbone residual dipolar coupling and long-range NOE restraints

    International Nuclear Information System (INIS)

    Giesen, Alexander W.; Homans, Steve W.; Brown, Jonathan Miles

    2003-01-01

    We report the determination of the global fold of human ubiquitin using protein backbone NMR residual dipolar coupling and long-range nuclear Overhauser effect (NOE) data as conformational restraints. Specifically, by use of a maximum of three backbone residual dipolar couplings per residue (N i -H N i , N i -C' i-1 , H N i - C' i-1 ) in two tensor frames and only backbone H N -H N NOEs, a global fold of ubiquitin can be derived with a backbone root-mean-square deviation of 1.4 A with respect to the crystal structure. This degree of accuracy is more than adequate for use in databases of structural motifs, and suggests a general approach for the determination of protein global folds using conformational restraints derived only from backbone atoms

  12. Partial alignment and measurement of residual dipolar couplings of proteins under high hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Yinan; Wand, A. Joshua, E-mail: wand@mail.med.upenn.edu [University of Pennsylvania, Department of Biochemistry and Biophysics, Johnson Research Foundation (United States)

    2013-08-15

    High-pressure NMR spectroscopy has emerged as a complementary approach for investigating various structural and thermodynamic properties of macromolecules. Noticeably absent from the array of experimental restraints that have been employed to characterize protein structures at high hydrostatic pressure is the residual dipolar coupling, which requires the partial alignment of the macromolecule of interest. Here we examine five alignment media that are commonly used at ambient pressure for this purpose. We find that the spontaneous alignment of Pf1 phage, d(GpG) and a C12E5/n-hexnanol mixture in a magnetic field is preserved under high hydrostatic pressure. However, DMPC/DHPC bicelles and collagen gel are found to be unsuitable. Evidence is presented to demonstrate that pressure-induced structural changes can be identified using the residual dipolar coupling.

  13. Direct Observation of Field and Temperature Induced Domain Replication in Dipolar Coupled Perpendicular Anisotropy Films

    Energy Technology Data Exchange (ETDEWEB)

    Hauet, T.; Gunther, C.M.; Pfau, B.; Eisebitt, S.; Fischer, P.; Rick, R. L.; Thiele, J.-U.; Hellwig, O.; Schabes, M.E.

    2007-07-01

    Dipolar interactions in a soft/Pd/hard [CoNi/Pd]{sub 30}/Pd/[Co/Pd]{sub 20} multilayer system, where a thick Pd layer between two ferromagnetic units prevents direct exchange coupling, are directly revealed by combining magnetometry and state-of-the-art layer resolving soft x-ray imaging techniques with sub-100-nm spatial resolution. The domains forming in the soft layer during external magnetic field reversal are found to match the domains previously trapped in the hard layer. The low Curie temperature of the soft layer allows varying its intrinsic parameters via temperature and thus studying the competition with dipolar fields due to the domains in the hard layer. Micromagnetic simulations elucidate the role of [CoNi/Pd] magnetization, exchange, and anisotropy in the duplication process. Finally, thermally driven domain replication in remanence during temperature cycling is demonstrated.

  14. Characterization of surfactant liquid crystal phases suitable for molecular alignment and measurement of dipolar couplings

    International Nuclear Information System (INIS)

    Barrientos, Laura G.; Dolan, Caroline; Gronenborn, Angela M.

    2000-01-01

    Media employed for imparting partial alignment onto solute molecules have recently attracted considerable attention, since they permit the measurement of NMR parameters for solute biomolecules commonly associated with solid state NMR. Here we characterize a medium which is based on a quasi-ternary surfactant system comprising cetylpyridinium bromide/hexanol/sodium bromide. We demonstrate that dilute solutions of this system can exist in liquid crystalline phases which orient in the magnetic field and allow the measurement of residual dipolar couplings under a variety of conditions. The present system is extremely versatile and robust, tolerating different buffer conditions, temperature ranges and concentrations

  15. Residual dipolar couplings in sup 3 sup 1 P MAS spectra of PPh sub 3 substituted cobalt complexes

    CERN Document Server

    Szalontai, G

    2002-01-01

    Residual dipolar couplings between sup 3 sup 1 P- sup 5 sup 9 Co spin pairs were studied in sup 3 sup 1 P MAS spectra of mono- and dinuclear cobalt-triphenylphosphine complexes. These spectra can provide important information such as the scalar coupling between the dipolar phosphorus and the quadrupolar cobalt nuclei normally not available from solution phase studies. In case of complementary (NQR or x-ray) data even the relative orientation of the interacting shielding, dipolar, scalar couplings, and electric field gradient tensors or internuclear distances can be determined. Examples are shown both for well resolved and practically unresolved cases, factors which possibly control the spectral resolution are discussed in detail. (author)

  16. Induced alignment and measurement of dipolar couplings of an SH2 domain through direct binding with filamentous phage

    International Nuclear Information System (INIS)

    Dahlke Ojennus, Deanna; Mitton-Fry, Rachel M.; Wuttke, Deborah S.

    1999-01-01

    Large residual 15 N- 1 H dipolar couplings have been measured in a Src homology II domain aligned at Pf1 bacteriophage concentrations an order of magnitude lower than used for induction of a similar degree of alignment of nucleic acids and highly acidic proteins. An increase in 1 H and 15 N protein linewidths and a decrease in T 2 and T 1 ρ relaxation time constants implicates a binding interaction between the protein and phage as the mechanism of alignment. However, the associated increased linewidth does not preclude the accurate measurement of large dipolar couplings in the aligned protein. A good correlation is observed between measured dipolar couplings and predicted values based on the high resolution NMR structure of the SH2 domain. The observation of binding-induced protein alignment promises to broaden the scope of alignment techniques by extending their applicability to proteins that are able to interact weakly with the alignment medium

  17. Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3

    Directory of Open Access Journals (Sweden)

    Beat Vögeli

    2015-12-01

    Full Text Available We compiled an NMR data set consisting of exact nuclear Overhauser enhancement (eNOE distance limits, residual dipolar couplings (RDCs and scalar (J couplings for GB3, which forms one of the largest and most diverse data set for structural characterization of a protein to date. All data have small experimental errors, which are carefully estimated. We use the data in the research article Vogeli et al., 2015, Complementarity and congruence between exact NOEs and traditional NMR probes for spatial decoding of protein dynamics, J. Struct. Biol., 191, 3, 306–317, doi:10.1016/j.jsb.2015.07.008 [1] for cross-validation in multiple-state structural ensemble calculation. We advocate this set to be an ideal test case for molecular dynamics simulations and structure calculations.

  18. Ordering and thermal excitations in dipolar coupled single domain magnet arrays (Presentation Recording)

    Science.gov (United States)

    Östman, Erik; Arnalds, Unnar; Kapaklis, Vassilios; Hjörvarsson, Björgvin

    2015-09-01

    For a small island of a magnetic material the magnetic state of the island is mainly determined by the exchange interaction and the shape anisotropy. Two or more islands placed in close proximity will interact through dipolar interactions. The state of a large system will thus be dictated by interactions at both these length scales. Enabling internal thermal fluctuations, e.g. by the choice of material, of the individual islands allows for the study of thermal ordering in extended nano-patterned magnetic arrays [1,2]. As a result nano-magnetic arrays represent an ideal playground for the study of physical model systems. Here we present three different studies all having used magneto-optical imaging techniques to observe, in real space, the order of the systems. The first study is done on a square lattice of circular islands. The remanent magnetic state of each island is a magnetic vortex structure and we can study the temperature dependence of the vortex nucleation and annihilation fields [3]. The second are long chains of dipolar coupled elongated islands where the magnetization direction in each island only can point in one of two possible directions. This creates a system which in many ways mimics the Ising model [4] and we can relate the correlation length to the temperature. The third one is a spin ice system where elongated islands are placed in a square lattice. Thermal excitations in such systems resemble magnetic monopoles [2] and we can investigate their properties as a function of temperature and lattice parameters. [1] V. Kapaklis et al., New J. Phys. 14, 035009 (2012) [2] V. Kapaklis et al., Nature Nanotech 9, 514(2014) [3] E. Östman et al.,New J. Phys. 16, 053002 (2014) [4] E. Östman et al.,Thermal ordering in mesoscopic Ising chains, In manuscript.

  19. A Refined Model for the Structure of Acireductone Dioxygenase from Klebsiella ATCC 8724 Incorporating Residual Dipolar Couplings

    Energy Technology Data Exchange (ETDEWEB)

    Pochapsky, Thomas C., E-mail: pochapsk@brandeis.edu; Pochapsky, Susan S.; Ju Tingting [Brandeis University, Department of Chemistry (United States); Hoefler, Chris [Brandeis University, Department of Biochemistry (United States); Liang Jue [Brandeis University, Department of Chemistry (United States)

    2006-02-15

    Acireductone dioxygenase (ARD) from Klebsiella ATCC 8724 is a metalloenzyme that is capable of catalyzing different reactions with the same substrates (acireductone and O{sub 2}) depending upon the metal bound in the active site. A model for the solution structure of the paramagnetic Ni{sup 2+}-containing ARD has been refined using residual dipolar couplings (RDCs) measured in two media. Additional dihedral restraints based on chemical shift (TALOS) were included in the refinement, and backbone structure in the vicinity of the active site was modeled from a crystallographic structure of the mouse homolog of ARD. The incorporation of residual dipolar couplings into the structural refinement alters the relative orientations of several structural features significantly, and improves local secondary structure determination. Comparisons between the solution structures obtained with and without RDCs are made, and structural similarities and differences between mouse and bacterial enzymes are described. Finally, the biological significance of these differences is considered.

  20. Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings

    International Nuclear Information System (INIS)

    Montalvao, Rinaldo W.; De Simone, Alfonso; Vendruscolo, Michele

    2012-01-01

    Residual dipolar couplings (RDCs) have the potential of providing detailed information about the conformational fluctuations of proteins. It is very challenging, however, to extract such information because of the complex relationship between RDCs and protein structures. A promising approach to decode this relationship involves structure-based calculations of the alignment tensors of protein conformations. By implementing this strategy to generate structural restraints in molecular dynamics simulations we show that it is possible to extract effectively the information provided by RDCs about the conformational fluctuations in the native states of proteins. The approach that we present can be used in a wide range of alignment media, including Pf1, charged bicelles and gels. The accuracy of the method is demonstrated by the analysis of the Q factors for RDCs not used as restraints in the calculations, which are significantly lower than those corresponding to existing high-resolution structures and structural ensembles, hence showing that we capture effectively the contributions to RDCs from conformational fluctuations.

  1. Independent alignment of RNA for dynamic studies using residual dipolar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Bardaro, Michael F.; Varani, Gabriele, E-mail: varani@chem.washington.edu [University of Washington, Department of Chemistry (United States)

    2012-09-15

    Molecular motion and dynamics play an essential role in the biological function of many RNAs. An important source of information on biomolecular motion can be found in residual dipolar couplings which contain dynamics information over the entire ms-ps timescale. However, these methods are not fully applicable to RNA because nucleic acid molecules tend to align in a highly collinear manner in different alignment media. As a consequence, information on dynamics that can be obtained with this method is limited. In order to overcome this limitation, we have generated a chimeric RNA containing both the wild type TAR RNA, the target of our investigation of dynamics, as well as the binding site for U1A protein. When U1A protein was bound to the portion of the chimeric RNA containing its binding site, we obtained independent alignment of TAR by exploiting the physical chemical characteristics of this protein. This technique can allow the extraction of new information on RNA dynamics, which is particularly important for time scales not covered by relaxation methods where important RNA motions occur.

  2. Measurement of imino {sup 1}H-{sup 1}H residual dipolar couplings in RNA

    Energy Technology Data Exchange (ETDEWEB)

    Latham, Michael P. [University of Toronto, Department of Molecular Genetics (Canada); Pardi, Arthur [University of Colorado, Department of Chemistry and Biochemistry, 215 UCB (United States)], E-mail: arthur.pardi@colorado.edu

    2009-02-15

    Imino {sup 1}H-{sup 15}N residual dipolar couplings (RDCs) provide additional structural information that complements standard {sup 1}H-{sup 1}H NOEs leading to improvements in both the local and global structure of RNAs. Here, we report measurement of imino {sup 1}H-{sup 1}H RDCs for the Iron Responsive Element (IRE) RNA and native E. coli tRNA{sup Val} using a BEST-Jcomp-HMQC2 experiment. {sup 1}H-{sup 1}H RDCs are observed between the imino protons in G-U wobble base pairs and between imino protons on neighboring base pairs in both RNAs. These imino {sup 1}H-{sup 1}H RDCs complement standard {sup 1}H-{sup 15}N RDCs because the {sup 1}H-{sup 1}H vectors generally point along the helical axis, roughly perpendicular to {sup 1}H-{sup 15}N RDCs. The use of longitudinal relaxation enhancement increased the signal-to-noise of the spectra by {approx}3.5-fold over the standard experiment. The ability to measure imino {sup 1}H-{sup 1}H RDCs offers a new restraint, which can be used in NMR domain orientation and structural studies of RNAs.

  3. Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

    Science.gov (United States)

    Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik

    2012-08-16

    The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.

  4. Measurement of one-bond 15N-13C' dipolar couplings in medium sized proteins

    International Nuclear Information System (INIS)

    Chou, James J.; Delaglio, Frank; Bax, Ad

    2000-01-01

    A simple and accurate method is described for measurement of 1 J C'N splittings in isotopically enriched proteins. The method is of the quantitative J correlation type, and the 1 J C'N splitting is derived from the relative intensity in two 3D TROSY-HNCO spectra with 1 J C'N dephasing intervals of ∼1/(2 1 J C'N ) (reference intensity) and ∼1/ 1 J C'N (residual intensity). If the two spectra are recorded under identical conditions and with the same number of scans, the random error in the 1 J C'N value extracted in this manner is inversely related to the signal-to-noise (S/N) in the reference spectrum. A S/N of 30:1 in the reference spectrum yields random errors of less than 0.2 Hz in the extracted 1 J C'N value. Dipolar couplings obtained from the difference in 1 J C'N splitting in the isotropic and liquid crystalline phase for the C-terminal domain of calmodulin are in excellent agreement with its 1.68-A crystal structure, but agree considerably less with the 2.2-A structure

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-15

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

  7. DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts

    International Nuclear Information System (INIS)

    Meiler, Jens; Peti, Wolfgang; Griesinger, Christian

    2000-01-01

    A program, DipoCoup, is presented that allows to search the protein data bank for proteins which have a three dimensional fold that is at least partially homologous to a protein under investigation. The three dimensional homology search uses secondary structure alignment based on chemical shifts and dipolar couplings or pseudocontact shifts for the three dimensional orientation of secondary structure elements. Moreover, the program offers additional tools for handling and analyzing dipolar couplings

  8. Magnetic dipolar coupling and collective effects for binary information codification in cost-effective logic devices

    International Nuclear Information System (INIS)

    Chiolerio, Alessandro; Allia, Paolo; Graziano, Mariagrazia

    2012-01-01

    Physical limitations foreshadow the eventual end to traditional Complementary Metal Oxide Semiconductor (CMOS) scaling. Therefore, interest has turned to various materials and technologies aimed to succeed to traditional CMOS. Magnetic Quantum dot Cellular Automata (MQCA) are one of these technologies. Working MQCA arrays require very complex techniques and an excellent control on the geometry of the nanomagnets and on the quality of the magnetic thin film, thus limiting the possibility for MQCA of representing a definite solution to cost-effective, high density and low power consumption device demand. Counter-intuitively, moving towards bigger sizes and lighter technologies it is still possible to develop multi-state logic devices, as we demonstrated, whose main advantage is cost-effectiveness. Applications may be seen in low cost logic devices where integration and computational power are not the main issue, eventually using flexible substrates and taking advantage of the intrinsic mechanical toughness of systems where long range interactions do not need wirings. We realized cobalt micrometric MQCA arrays by means of Electron Beam Lithography, exploiting cost-effective processes such as lift-off and RF sputtering that usually are avoided due to their low control on array geometry and film roughness. Information relative to the magnetic configuration of MQCA elements including their eventual magnetic interactions was obtained from Magnetic Force Microscope (MFM) images, enhanced by means of a numerical procedure and presented in differential maps. We report the existence of bi-stable magnetic patterns, as detected by MFM while sampling the z-component of magnetic induction field, arising from dipolar inter-element magnetostatic coupling, able to store and propagate binary information. This is achieved despite the array quality and element magnetic state, which are low and multi-domain, respectively. We discuss in detail shape, inter-element spacing and dot profile

  9. Accurate measurement of heteronuclear dipolar couplings by phase-alternating R-symmetry (PARS) sequences in magic angle spinning NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Guangjin, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu; Lu, Xingyu, E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Vega, Alexander J., E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Polenova, Tatyana, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu [Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA and Pittsburgh Center for HIV Protein Interactions, University of Pittsburgh School of Medicine, 1051 Biomedical Science Tower 3, 3501 Fifth Ave., Pittsburgh, Pennsylvania 15261 (United States)

    2014-09-14

    We report a Phase-Alternating R-Symmetry (PARS) dipolar recoupling scheme for accurate measurement of heteronuclear {sup 1}H-X (X = {sup 13}C, {sup 15}N, {sup 31}P, etc.) dipolar couplings in MAS NMR experiments. It is an improvement of conventional C- and R-symmetry type DIPSHIFT experiments where, in addition to the dipolar interaction, the {sup 1}H CSA interaction persists and thereby introduces considerable errors in the dipolar measurements. In PARS, phase-shifted RN symmetry pulse blocks applied on the {sup 1}H spins combined with π pulses applied on the X spins at the end of each RN block efficiently suppress the effect from {sup 1}H chemical shift anisotropy, while keeping the {sup 1}H-X dipolar couplings intact. Another advantage over conventional DIPSHIFT experiments, which require the signal to be detected in the form of a reduced-intensity Hahn echo, is that the series of π pulses refocuses the X chemical shift and avoids the necessity of echo formation. PARS permits determination of accurate dipolar couplings in a single experiment; it is suitable for a wide range of MAS conditions including both slow and fast MAS frequencies; and it assures dipolar truncation from the remote protons. The performance of PARS is tested on two model systems, [{sup 15}N]-N-acetyl-valine and [U-{sup 13}C,{sup 15}N]-N-formyl-Met-Leu-Phe tripeptide. The application of PARS for site-resolved measurement of accurate {sup 1}H-{sup 15}N dipolar couplings in the context of 3D experiments is presented on U-{sup 13}C,{sup 15}N-enriched dynein light chain protein LC8.

  10. Two dimensional dipolar coupling in monolayers of silver and gold nanoparticles on a dielectric substrate.

    Science.gov (United States)

    Liu, Yu; Begin-Colin, Sylvie; Pichon, Benoît P; Leuvrey, Cedric; Ihiawakrim, Dris; Rastei, Mircea; Schmerber, Guy; Vomir, Mircea; Bigot, Jean Yves

    2014-10-21

    The dimensionality of assembled nanoparticles plays an important role in their optical and magnetic properties, via dipolar effects and the interaction with their environment. In this work we develop a methodology for distinguishing between two (2D) and three (3D) dimensional collective interactions on the surface plasmon resonance of assembled metal nanoparticles. Towards that goal, we elaborate different sets of Au and Ag nanoparticles as suspensions, random 3D arrangements and well organized 2D arrays. Then we model their scattering cross-section using effective field methods in dimension n, including interparticle as well as particle-substrate dipolar interactions. For this modelling, two effective field medium approaches are employed, taking into account the filling factors of the assemblies. Our results are important for realizing photonic amplifier devices.

  11. De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media

    International Nuclear Information System (INIS)

    Ruan Ke; Briggman, Kathryn B.; Tolman, Joel R.

    2008-01-01

    The straightforward interpretation of solution state residual dipolar couplings (RDCs) in terms of internuclear vector orientations generally requires prior knowledge of the alignment tensor, which in turn is normally estimated using a structural model. We have developed a protocol which allows the requirement for prior structural knowledge to be dispensed with as long as RDC measurements can be made in three independent alignment media. This approach, called Rigid Structure from Dipolar Couplings (RSDC), allows vector orientations and alignment tensors to be determined de novo from just three independent sets of RDCs. It is shown that complications arising from the existence of multiple solutions can be overcome by careful consideration of alignment tensor magnitudes in addition to the agreement between measured and calculated RDCs. Extensive simulations as well applications to the proteins ubiquitin and Staphylococcal protein GB1 demonstrate that this method can provide robust determinations of alignment tensors and amide N-H bond orientations often with better than 10 o accuracy, even in the presence of modest levels of internal dynamics

  12. Improvement of hydrogen bond geometry in protein NMR structures by residual dipolar couplings - an assessment of the interrelation of NMR restraints

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Pernille Rose; Axelsen, Jacob Bock [University of Copenhagen, Institute of Molecular Biology (Denmark); Lerche, Mathilde Hauge [Amersham Health (Sweden); Poulsen, Flemming M. [University of Copenhagen, Institute of Molecular Biology (Denmark)], E-mail: fmp@apk.molbio.ku.dk

    2004-01-15

    We have examined how the hydrogen bond geometry in three different proteins is affected when structural restraints based on measurements of residual dipolar couplings are included in the structure calculations. The study shows, that including restraints based solely on {sup 1}H{sup N}-{sup 15}N residual dipolar couplings has pronounced impact on the backbone rmsd and Ramachandran plot but does not improve the hydrogen bond geometry. In the case of chymotrypsin inhibitor 2 the addition of {sup 13}CO-{sup 13}C{sup {alpha}} and {sup 15}N-{sup 13}CO one bond dipolar couplings as restraints in the structure calculations improved the hydrogen bond geometry to a quality comparable to that obtained in the 1.8 A resolution X-ray structure of this protein. A systematic restraint study was performed, in which four types of restraints, residual dipolar couplings, hydrogen bonds, TALOS angles and NOEs, were allowed in two states. This study revealed the importance of using several types of residual dipolar couplings to get good hydrogen bond geometry. The study also showed that using a small set of NOEs derived only from the amide protons, together with a full set of residual dipolar couplings resulted in structures of very high quality. When reducing the NOE set, it is mainly the side-chain to side-chain NOEs that are removed. Despite of this the effect on the side-chain packing is very small when a reduced NOE set is used, which implies that the over all fold of a protein structure is mainly determined by correct folding of the backbone.

  13. Structure-independent cross-validation between residual dipolar couplings originating from internal and external orienting media

    International Nuclear Information System (INIS)

    Barbieri, Renato; Bertini, Ivano; Lee, Yong-Min; Luchinat, Claudio; Velders, Aldrik H.

    2002-01-01

    Lanthanide-substituted calcium binding proteins are known to partially orient in high magnetic fields. Orientation provides residual dipolar couplings (rdc's). Two of these systems, Tm 3+ - and Dy 3+ -substituted calbindin D 9k , dissolved in an external orienting medium (nonionic liquid crystalline phase) provide rdc values which are the sum of those induced by the lanthanides and by the liquid crystalline phase on the native calcium binding protein. This structure-independent check shows the innocence of the orienting medium with respect to the structure of the protein in solution. Furthermore, the simultaneous use of lanthanide substitution and external orienting media provides a further effective tool to control and tune the orientation tensor

  14. Protein backbone motions viewed by intraresidue and sequential H{sup N}-H{sup {alpha}} residual dipolar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Voegeli, Beat; Yao Lishan; Bax, Ad [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)], E-mail: bax@nih.gov

    2008-05-15

    Triple resonance E.COSY-based techniques were used to measure intra-residue and sequential H{sup N}-H{sup {alpha}} residual dipolar couplings (RDCs) for the third IgG-binding domain of protein G (GB3), aligned in Pf1 medium. Measurements closely correlate with values predicted on the basis of an NMR structure, previously determined on the basis of a large number of one-bond backbone RDCs measured in five alignment media. However, in particular the sequential H{sup N}-H{sup {alpha}} RDCs are smaller than predicted for a static structure, suggesting a degree of motion for these internuclear vectors that exceeds that of the backbone amide N-H vectors. Of all experimentally determined GB3 structures available, the best correlation between experimental {sup 1}H-{sup 1}H couplings is observed for a GB3 ensemble, previously derived to generate a realistic picture of the conformational space sampled by GB3 (Clore and Schwieters, J Mol Biol 355:879-886, 2006). However, for both NMR and X-ray-derived structures the {sup 1}H-{sup 1}H couplings are found to be systematically smaller than expected on the basis of alignment tensors derived from {sup 15}N-{sup 1}H amide RDCs, assuming librationally corrected N-H bond lengths of 1.041 A.

  15. Relaxation dynamics of a driven two-level system coupled to a Bose-Einstein condensate: application to quantum dot-dipolar exciton gas hybrid systems.

    Science.gov (United States)

    Kovalev, Vadim M; Tse, Wang-Kong

    2017-11-22

    We develop a microscopic theory for the relaxation dynamics of an optically pumped two-level system (TLS) coupled to a bath of weakly interacting Bose gas. Using Keldysh formalism and diagrammatic perturbation theory, expressions for the relaxation times of the TLS Rabi oscillations are derived when the boson bath is in the normal state and the Bose-Einstein condensate (BEC) state. We apply our general theory to consider an irradiated quantum dot coupled with a boson bath consisting of a two-dimensional dipolar exciton gas. When the bath is in the BEC regime, relaxation of the Rabi oscillations is due to both condensate and non-condensate fractions of the bath bosons for weak TLS-light coupling and pre dominantly due to the non-condensate fraction for strong TLS-light coupling. Our theory also shows that a phase transition of the bath from the normal to the BEC state strongly influences the relaxation rate of the TLS Rabi oscillations. The TLS relaxation rate is approximately independent of the pump field frequency and monotonically dependent on the field strength when the bath is in the low-temperature regime of the normal phase. Phase transition of the dipolar exciton gas leads to a non-monotonic dependence of the TLS relaxation rate on both the pump field frequency and field strength, providing a characteristic signature for the detection of BEC phase transition of the coupled dipolar exciton gas.

  16. Double-quantum homonuclear correlations of spin I=5/2 nuclei.

    Science.gov (United States)

    Iuga, Dinu

    2011-02-01

    The challenges associated with acquiring double-quantum homonuclear Nuclear Magnetic Resonance correlation spectra of half-integer quadrupolar nuclei are described. In these experiments the radio-frequency irradiation amplitude is necessarily weak in order to selectively excite the central transition. In this limit only one out of the 25 double-quantum coherences possible for two coupled spin I=5/2 nuclei is excited. An investigation of all the 25 two spins double quantum transitions reveals interesting effects such as a compensation of the first-order quadrupolar interaction between the two single quantum transitions involved in the double quantum coherence. In this paper a full numerical study of a hypothetical two spin I=5/2 system is used to show what happens when the RF amplitude during recoupling is increased. In principle this is advantageous, since the required double quantum coherence should build up faster, but in practice it also induces adiabatic passage transfer of population and coherence which impedes any build up. Finally an optimized rotary resonance recoupling (oR(3)) sequence is introduced in order to decrease these transfers. This sequence consists of a spin locking irradiation whose amplitude is reduced four times during one rotor period, and allows higher RF powers to be used during recoupling. The sequence is used to measure (27)Al DQ dipolar correlation spectra of Y(3)Al(5)O(12) (YAG) and gamma alumina (γAl(2)O(3)). The results prove that aluminium vacancies in gamma alumina mainly occur in the tetrahedral sites. Copyright © 2010 Elsevier Inc. All rights reserved.

  17. Long-range dispersion interactions. III: Method for two homonuclear atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Zhang, J.-Y.

    2007-01-01

    A procedure for systematically evaluating the long-range dispersion interaction between two homonuclear atoms in arbitrary LS coupled states is outlined. The method is then used to generate dispersion coefficients for a number of the low-lying states of the Na and Mg dimers

  18. Controlling residual dipolar couplings in high-resolution NMR of proteins by strain induced alignment in a gel

    International Nuclear Information System (INIS)

    Ishii, Yoshitaka; Markus, Michelle A.; Tycko, Robert

    2001-01-01

    Water-soluble biological macromolecules can be weakly aligned by dissolution in a strained, hydrated gel such as cross-linked polyacrylamide, an effect termed 'strain-induced alignment in a gel' (SAG). SAG induces nonzero nuclear magnetic dipole-dipole couplings that can be measured in high-resolution NMR spectra and used as structural constraints. The dependence of experimental 15 N- 1 H dipolar couplings extracted from two-dimensional heteronuclear single quantum coherence (HSQC) spectra on several properties of compressed polyacrylamide, including the extent of compression, the polyacrylamide concentration, and the cross-link density, is reported for the B1 immunoglobulin binding domain of streptococcal protein G (protein G/B1, 57 residues). It is shown that the magnitude of macromolecular alignment can be widely varied by adjusting these properties, although the orientation and asymmetry of the alignment tensor are not affected significantly. The dependence of the 15 N relaxation times T 1 and T 2 of protein G/B1 on polyacrylamide concentration are also reported. In addition, the results of 15 N relaxation and HSQC experiments on the RNA binding domain of prokaryotic protein S4 from Bacillus stearothermophilus (S4 Δ41, residues 43-200) in a compressed polyacrylamide gel are presented. These results demonstrate the applicability of SAG to proteins of higher molecular weight and greater complexity. A modified in-phase/anti-phase (IPAP) HSQC technique is described that suppresses natural-abundance 15 N background signals from amide groups in polyacrylamide, resulting in cleaner HSQC spectra in SAG experiments. The mechanism of protein alignment in strained polyacrylamide gels is contrasted with that in liquid crystalline media

  19. iDC: A comprehensive toolkit for the analysis of residual dipolar couplings for macromolecular structure determination

    International Nuclear Information System (INIS)

    Wei Yufeng; Werner, Milton H.

    2006-01-01

    Measurement of residual dipolar couplings (RDCs) has become an important method for the determination and validation of protein or nucleic acid structures by NMRf spectroscopy. A number of toolkits have been devised for the handling of RDC data which run in the Linux/Unix operating environment and require specifically formatted input files. The outputs from these programs, while informative, require format modification prior to the incorporation of this data into commonly used personal computer programs for manuscript preparation. To bridge the gap between analysis and publication, an easy-to-use, comprehensive toolkit for RDC analysis has been created, iDC. iDC is written for the WaveMetrics Igor Pro mathematics program, a widely used graphing and data analysis software program that runs on both Windows PC and Mac OS X computers. Experimental RDC values can be loaded into iDC using simple data formats accessible to Igor's tabular data function. The program can perform most useful RDC analyses, including alignment tensor estimation from a histogram of RDC occurrence versus values and order tensor analysis by singular value decomposition (SVD). SVD analysis can be performed on an entire structure family at once, a feature missing in other applications of this kind. iDC can also import from and export to several different commonly used programs for the analysis of RDC data (DC, PALES, REDCAT) and can prepare formatted files for RDC-based refinement of macromolecular structures using XPLOR-NIH, CNS and ARIA. The graphical user interface provides an easy-to-use I/O for data, structures and formatted outputs

  20. Solution structure of tRNA{sup Val} from refinement of homology model against residual dipolar coupling and SAXS data

    Energy Technology Data Exchange (ETDEWEB)

    Grishaev, Alexander, E-mail: AlexanderG@intra.niddk.nih.gov; Ying, Jinfa [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Canny, Marella D.; Pardi, Arthur [University of Colorado, Boulder, Department of Chemistry and Biochemistry, 215 UCB (United States)], E-mail: Arthur.Pardi@Colorado.edu; Bax, Ad [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)], E-mail: bax@nih.gov

    2008-10-15

    A procedure is presented for refinement of a homology model of E. coli tRNA{sup Val}, originally based on the X-ray structure of yeast tRNA{sup Phe}, using experimental residual dipolar coupling (RDC) and small angle X-ray scattering (SAXS) data. A spherical sampling algorithm is described for refinement against SAXS data that does not require a globbic approximation, which is particularly important for nucleic acids where such approximations are less appropriate. Substantially higher speed of the algorithm also makes its application favorable for proteins. In addition to the SAXS data, the structure refinement employed a sparse set of NMR data consisting of 24 imino N-H{sup N} RDCs measured with Pf1 phage alignment, and 20 imino N-H{sup N} RDCs obtained from magnetic field dependent alignment of tRNA{sup Val}. The refinement strategy aims to largely retain the local geometry of the 58% identical tRNA{sup Phe} by ensuring that the atomic coordinates for short, overlapping segments of the ribose-phosphate backbone and the conserved base pairs remain close to those of the starting model. Local coordinate restraints are enforced using the non-crystallographic symmetry (NCS) term in the XPLOR-NIH or CNS software package, while still permitting modest movements of adjacent segments. The RDCs mainly drive the relative orientation of the helical arms, whereas the SAXS restraints ensure an overall molecular shape compatible with experimental scattering data. The resulting structure exhibits good cross-validation statistics (jack-knifed Q{sub free} = 14% for the Pf1 RDCs, compared to 25% for the starting model) and exhibits a larger angle between the two helical arms than observed in the X-ray structure of tRNA{sup Phe}, in agreement with previous NMR-based tRNA{sup Val} models.

  1. Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods

    Energy Technology Data Exchange (ETDEWEB)

    Penzel, Susanne; Smith, Albert A.; Agarwal, Vipin; Hunkeler, Andreas [ETH Zürich, Physical Chemistry (Switzerland); Org, Mai-Liis; Samoson, Ago, E-mail: ago.samoson@ttu.ee [Tallinn University of Technology, NMR Instituut, Tartu Teadus, Tehnomeedikum (Estonia); Böckmann, Anja, E-mail: a.bockmann@ibcp.fr [UMR 5086 CNRS/Université de Lyon 1, Institut de Biologie et Chimie des Protéines (France); Ernst, Matthias, E-mail: maer@ethz.ch; Meier, Beat H., E-mail: beme@ethz.ch [ETH Zürich, Physical Chemistry (Switzerland)

    2015-10-15

    We discuss the optimum experimental conditions to obtain assignment spectra for solid proteins at magic-angle spinning (MAS) frequencies around 100 kHz. We present a systematic examination of the MAS dependence of the amide proton T{sub 2}′ times and a site-specific comparison of T{sub 2}′ at 93 kHz versus 60 kHz MAS frequency. A quantitative analysis of transfer efficiencies of building blocks, as they are used for typical 3D experiments, was performed. To do this, we compared dipolar-coupling and J-coupling based transfer steps. The building blocks were then combined into 3D experiments for sequential resonance assignment, where we evaluated signal-to-noise ratio and information content of the different 3D spectra in order to identify the best assignment strategy. Based on this comparison, six experiments were selected to optimally assign the model protein ubiquitin, solely using spectra acquired at 93 kHz MAS. Within 3 days of instrument time, the required spectra were recorded from which the backbone resonances have been assigned to over 96 %.

  2. NMR experiments for the measurement of proton-proton and carbon-carbon residual dipolar couplings in uniformly labelled oligosaccharides

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Pastor, Manuel [Universidad de Santiago de Compostela, Laboratorio Integral de Estructura de Biomoleculas Jose. R. Carracido, Unidade de Resonancia Magnetica, RIAIDT (Spain)], E-mail: mmartin@usc.es; Canales-Mayordomo, Angeles; Jimenez-Barbero, Jesus [Departamento de Estructura y funcion de proteinas, Centro de Investigaciones Biologicas, CSIC (Spain)], E-mail: jjbarbero@cib.csic.es

    2003-08-15

    A 2D-HSQC-carbon selective/proton selective-constant time COSY, 2D-HSQC-(sel C, sel H)-CT COSY experiment, which is applicable to uniformly {sup 13}C isotopically enriched samples (U-{sup 13}C) of oligosaccharides or oligonucleotides is proposed for the measurement of proton-proton RDC in crowded regions of 2D-spectra. In addition, a heteronuclear constant time-COSY experiment, {sup 13}C-{sup 13}C CT-COSY, is proposed for the measurement of one bond carbon-carbon RDC in these molecules. These two methods provide an extension, to U-{sup 13}C molecules, of the original homonuclear constant time-COSY experiment proposed by Tian et al. (1999) for saccharides. The combination of a number of these RDC with NOE data may provide the method of choice to study oligosaccharide conformation in the free and receptor-bound state.

  3. Solid-state NMR detection of 14N-13C dipolar couplings between amino acid side groups provides constraints on amyloid fibril architecture.

    Science.gov (United States)

    Middleton, David A

    2011-02-01

    Solid-state nuclear magnetic resonance (SSNMR) is a powerful technique for the structural analysis of amyloid fibrils. With suitable isotope labelling patterns, SSNMR can provide constraints on the secondary structure, alignment and registration of β-strands within amyloid fibrils and identify the tertiary and quaternary contacts defining the packing of the β-sheet layers. Detection of (14)N-(13)C dipolar couplings may provide potentially useful additional structural constraints on β-sheet packing within amyloid fibrils but has not until now been exploited for this purpose. Here a frequency-selective, transfer of population in double resonance SSNMR experiment is used to detect a weak (14)N-(13)C dipolar coupling in amyloid-like fibrils of the peptide H(2)N-SNNFGAILSS-COOH, which was uniformly (13)C and (15)N labelled across the four C-terminal amino acids. The (14)N-(13)C interatomic distance between leucine and asparagine side groups is constrained between 2.4 and 3.8 Å, which allows current structural models of the β-spine arrangement within the fibrils to be refined. This procedure could be useful for the general structural analysis of other proteins in condensed phases and environments, such as biological membranes. Copyright © 2011 John Wiley & Sons, Ltd.

  4. Curie temperature and magnetic phase transition of nanostructured ultrathin Fe/GaAs (001). Size dependence and relevance of dipolar coupling

    Energy Technology Data Exchange (ETDEWEB)

    Meier, Roland

    2009-07-01

    In the present work the impact of lateral patterning of ultrathin ferromagnetic films down to the nanometer range on the magnetic phase transition has been investigated. In this respect on the one hand a size effect on the Curie temperature and, referring to that, the relevance of dipolar coupling were a matter of particular interest. On the other hand the characteristics of the critical behavior itself, becoming apparent by the accurate evaluation of the curvature shape of the magnetization as a function of temperature at T{sub c}, were analyzed with regard to potential and expected size effects. The investigation of similar nanostructures with respect to an effect on Curie temperature respectively phase transition may draw up a correlation. Therefore more than hundred samples were fabricated for this work extensively by means of MBE (Molecular Beam Epitaxy) and ESL (Electron Beam Epitaxy) methods, measured by MOKE (Magneto-Optical Kerr Effect) technique and systematically evaluated. (orig.)

  5. An encodable lanthanide binding tag with reduced size and flexibility for measuring residual dipolar couplings and pseudocontact shifts in large proteins

    Energy Technology Data Exchange (ETDEWEB)

    Barb, Adam W., E-mail: abarb@iastate.edu; Subedi, Ganesh P. [Iowa State University, Roy J. Carver Department of Biochemistry, Biophysics and Molecular Biology (United States)

    2016-01-15

    Metal ions serve important roles in structural biology applications from long-range perturbations seen in magnetic resonance experiments to electron-dense signatures in X-ray crystallography data; however, the metal ion must be secured in a molecular framework to achieve the maximum benefit. Polypeptide-based lanthanide-binding tags (LBTs) represent one option that can be directly encoded within a recombinant protein expression construct. However, LBTs often exhibit significant mobility relative to the target molecule. Here we report the characterization of improved LBTs sequences for insertion into a protein loop. These LBTs were inserted to connect two parallel alpha helices of an immunoglobulin G (IgG)-binding Z domain platform. Variants A and B bound Tb{sup 3+} with high affinity (0.70 and 0.13 μM, respectively) and displayed restricted LBT motion. Compared to the parent construct, the metal-bound A experienced a 2.5-fold reduction in tag motion as measured by magnetic field-induced residual dipolar couplings and was further studied in a 72.2 kDa complex with the human IgG1 fragment crystallizable (IgG1 Fc) glycoprotein. The appearance of both pseudo-contact shifts (−0.221 to 0.081 ppm) and residual dipolar couplings (−7.6 to 14.3 Hz) of IgG1 Fc resonances in the IgG1 Fc:(variant A:Tb{sup 3+}){sub 2} complex indicated structural restriction of the LBT with respect to the Fc. These studies highlight the applicability of improved LBT sequences with reduced mobility to probe the structure of macromolecular systems.

  6. An encodable lanthanide binding tag with reduced size and flexibility for measuring residual dipolar couplings and pseudocontact shifts in large proteins

    International Nuclear Information System (INIS)

    Barb, Adam W.; Subedi, Ganesh P.

    2016-01-01

    Metal ions serve important roles in structural biology applications from long-range perturbations seen in magnetic resonance experiments to electron-dense signatures in X-ray crystallography data; however, the metal ion must be secured in a molecular framework to achieve the maximum benefit. Polypeptide-based lanthanide-binding tags (LBTs) represent one option that can be directly encoded within a recombinant protein expression construct. However, LBTs often exhibit significant mobility relative to the target molecule. Here we report the characterization of improved LBTs sequences for insertion into a protein loop. These LBTs were inserted to connect two parallel alpha helices of an immunoglobulin G (IgG)-binding Z domain platform. Variants A and B bound Tb 3+ with high affinity (0.70 and 0.13 μM, respectively) and displayed restricted LBT motion. Compared to the parent construct, the metal-bound A experienced a 2.5-fold reduction in tag motion as measured by magnetic field-induced residual dipolar couplings and was further studied in a 72.2 kDa complex with the human IgG1 fragment crystallizable (IgG1 Fc) glycoprotein. The appearance of both pseudo-contact shifts (−0.221 to 0.081 ppm) and residual dipolar couplings (−7.6 to 14.3 Hz) of IgG1 Fc resonances in the IgG1 Fc:(variant A:Tb 3+ ) 2 complex indicated structural restriction of the LBT with respect to the Fc. These studies highlight the applicability of improved LBT sequences with reduced mobility to probe the structure of macromolecular systems

  7. Measurement of {sup 1}H-{sup 15}N and {sup 1}H-{sup 13}C residual dipolar couplings in nucleic acids from TROSY intensities

    Energy Technology Data Exchange (ETDEWEB)

    Ying Jinfa [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Wang Jinbu [National Cancer Institute, National Institutes of Health, Structural Biophysics Laboratory (United States); Grishaev, Alex [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Yu Ping; Wang Yunxing [National Cancer Institute, National Institutes of Health, Structural Biophysics Laboratory (United States); Bax, Ad, E-mail: bax@nih.gov [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

    2011-09-15

    Analogous to the recently introduced ARTSY method for measurement of one-bond {sup 1}H-{sup 15}N residual dipolar couplings (RDCs) in large perdeuterated proteins, we introduce methods for measurement of base {sup 13}C-{sup 1}H and {sup 15}N-{sup 1}H RDCs in protonated nucleic acids. Measurements are based on quantitative analysis of intensities in {sup 1}H-{sup 15}N and {sup 13}C-{sup 1}H TROSY-HSQC spectra, and are illustrated for a 71-nucleotide adenine riboswitch. Results compare favorably with those of conventional frequency-based measurements in terms of completeness and convenience of use. The ARTSY method derives the size of the coupling from the ratio of intensities observed in two TROSY-HSQC spectra recorded with different dephasing delays, thereby minimizing potential resonance overlap problems. Precision of the RDC measurements is limited by the signal-to-noise ratio, S/N, achievable in the 2D TROSY-HSQC reference spectrum, and is approximately given by 30/(S/N) Hz for {sup 15}N-{sup 1}H and 65/(S/N) Hz for {sup 13}C-{sup 1}H. The signal-to-noise ratio of both {sup 1}H-{sup 15}N and {sup 1}H-{sup 13}C spectra greatly benefits when water magnetization during the experiments is not perturbed, such that rapid magnetization transfer from bulk water to the nucleic acid, mediated by rapid amino and hydroxyl hydrogen exchange coupled with {sup 1}H-{sup 1}H NOE transfer, allows for fast repetition of the experiment. RDCs in the mutated helix 1 of the riboswitch are compatible with nucleotide-specifically modeled, idealized A-form geometry and a static orientation relative to the helix 2/3 pair, which differs by ca 6 Degree-Sign relative to the X-ray structure of the native riboswitch.

  8. Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex.

    Science.gov (United States)

    Ortega-Roldan, Jose Luis; Jensen, Malene Ringkjøbing; Brutscher, Bernhard; Azuaga, Ana I; Blackledge, Martin; van Nuland, Nico A J

    2009-05-01

    The description of the interactome represents one of key challenges remaining for structural biology. Physiologically important weak interactions, with dissociation constants above 100 muM, are remarkably common, but remain beyond the reach of most of structural biology. NMR spectroscopy, and in particular, residual dipolar couplings (RDCs) provide crucial conformational constraints on intermolecular orientation in molecular complexes, but the combination of free and bound contributions to the measured RDC seriously complicates their exploitation for weakly interacting partners. We develop a robust approach for the determination of weak complexes based on: (i) differential isotopic labeling of the partner proteins facilitating RDC measurement in both partners; (ii) measurement of RDC changes upon titration into different equilibrium mixtures of partially aligned free and complex forms of the proteins; (iii) novel analytical approaches to determine the effective alignment in all equilibrium mixtures; and (iv) extraction of precise RDCs for bound forms of both partner proteins. The approach is demonstrated for the determination of the three-dimensional structure of the weakly interacting CD2AP SH3-C:Ubiquitin complex (K(d) = 132 +/- 13 muM) and is shown, using cross-validation, to be highly precise. We expect this methodology to extend the remarkable and unique ability of NMR to study weak protein-protein complexes.

  9. Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics

    International Nuclear Information System (INIS)

    Lakomek, Nils-Alexander; Walter, Korvin F. A.; Fares, Christophe; Lange, Oliver F.; Groot, Bert L. de; Grubmueller, Helmut; Brueschweiler, Rafael; Munk, Axel; Becker, Stefan; Meiler, Jens; Griesinger, Christian

    2008-01-01

    Residual dipolar couplings (RDCs) provide information about the dynamic average orientation of inter-nuclear vectors and amplitudes of motion up to milliseconds. They complement relaxation methods, especially on a time-scale window that we have called supra-τ c (τ c c rdc > = 0.72 ± 0.02 compared to LS 2 > = 0.778 ± 0.003 for the Lipari-Szabo order parameters, indicating that the inclusion of the supra-τ c window increases the averaged amplitude of mobility observed in the sub-τ c window by about 34%. For the β-strand spanned by residues Lys48 to Leu50, an alternating pattern of backbone NH RDC order parameter S rdc 2 (NH) = (0.59, 0.72, 0.59) was extracted. The backbone of Lys48, whose side chain is known to be involved in the poly-ubiquitylation process that leads to protein degradation, is very mobile on the supra-τ c time scale (S rdc 2 (NH) = 0.59 ± 0.03), while it is inconspicuous (S LS 2 (NH) = 0.82) on the sub-τ c as well as on μs-ms relaxation dispersion time scales. The results of this work differ from previous RDC dynamics studies of ubiquitin in the sense that the results are essentially independent of structural noise providing a much more robust assessment of dynamic effects that underlie the RDC data

  10. Structure of calmodulin complexed with an olfactory CNG channel fragment and role of the central linker: Residual dipolar couplings to evaluate calmodulin binding modes outside the kinase family

    International Nuclear Information System (INIS)

    Contessa, Gian Marco; Orsale, Maria; Melino, Sonia; Torre, Vincent; Paci, Maurizio; Desideri, Alessandro; Cicero, Daniel O.

    2005-01-01

    The NMR high-resolution structure of calmodulin complexed with a fragment of the olfactory cyclic-nucleotide gated channel is described. This structure shows features that are unique for this complex, including an active role of the linker connecting the N- and C-lobes of calmodulin upon binding of the peptide. Such linker is not only involved in the formation of an hydrophobic pocket to accommodate a bulky peptide residue, but it also provides a positively charged region complementary to a negative charge of the target. This complex of calmodulin with a target not belonging to the kinase family was used to test the residual dipolar coupling (RDC) approach for the determination of calmodulin binding modes to peptides. Although the complex here characterized belongs to the (1--14) family, high Q values were obtained with all the 1:1 complexes for which crystalline structures are available. Reduction of the RDC data set used for the correlation analysis to structured regions of the complex allowed a clear identification of the binding mode. Excluded regions comprise calcium binding loops and loops connecting the EF-hand motifs

  11. Concerted motions in HIV-1 TAR RNA may allow access to bound state conformations: RNA dynamics from NMR residual dipolar couplings.

    Science.gov (United States)

    Al-Hashimi, Hashim M; Gosser, Yuying; Gorin, Andrey; Hu, Weidong; Majumdar, Ananya; Patel, Dinshaw J

    2002-01-11

    Ground-state dynamics in RNA is a critical precursor for structural adaptation observed ubiquitously in protein-RNA recognition. A tertiary conformational analysis of the stem-loop structural element in the transactivation response element (TAR) from human immunodeficiency virus type 1 (HIV-I) RNA is presented using recently introduced NMR methods that rely on the measurement of residual dipolar couplings (RDC) in partially oriented systems. Order matrix analysis of RDC data provides evidence for inter-helical motions that are of amplitude 46(+/-4) degrees, of random directional character, and that are executed about an average conformation with an inter-helical angle between 44 degrees and 54 degrees. The generated ensemble of TAR conformations have different organizations of functional groups responsible for interaction with the trans-activator protein Tat, including conformations similar to the previously characterized bound-state conformation. These results demonstrate the utility of RDC-NMR for simultaneously characterizing RNA tertiary dynamics and average conformation, and indicate an avenue for TAR complex formation involving tertiary structure capture. Copyright 2001 Academic Press.

  12. Threshold-Voltage Shifts in Organic Transistors Due to Self-Assembled Monolayers at the Dielectric: Evidence for Electronic Coupling and Dipolar Effects.

    Science.gov (United States)

    Aghamohammadi, Mahdieh; Rödel, Reinhold; Zschieschang, Ute; Ocal, Carmen; Boschker, Hans; Weitz, R Thomas; Barrena, Esther; Klauk, Hagen

    2015-10-21

    The mechanisms behind the threshold-voltage shift in organic transistors due to functionalizing of the gate dielectric with self-assembled monolayers (SAMs) are still under debate. We address the mechanisms by which SAMs determine the threshold voltage, by analyzing whether the threshold voltage depends on the gate-dielectric capacitance. We have investigated transistors based on five oxide thicknesses and two SAMs with rather diverse chemical properties, using the benchmark organic semiconductor dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene. Unlike several previous studies, we have found that the dependence of the threshold voltage on the gate-dielectric capacitance is completely different for the two SAMs. In transistors with an alkyl SAM, the threshold voltage does not depend on the gate-dielectric capacitance and is determined mainly by the dipolar character of the SAM, whereas in transistors with a fluoroalkyl SAM the threshold voltages exhibit a linear dependence on the inverse of the gate-dielectric capacitance. Kelvin probe force microscopy measurements indicate this behavior is attributed to an electronic coupling between the fluoroalkyl SAM and the organic semiconductor.

  13. Facile measurement of {sup 1}H-{sup 15}N residual dipolar couplings in larger perdeuterated proteins

    Energy Technology Data Exchange (ETDEWEB)

    Fitzkee, Nicholas C.; Bax, Ad, E-mail: bax@nih.go [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

    2010-10-15

    We present a simple method, ARTSY, for extracting {sup 1}J{sub NH} couplings and {sup 1}H-{sup 15}N RDCs from an interleaved set of two-dimensional {sup 1}H-{sup 15}N TROSY-HSQC spectra, based on the principle of quantitative J correlation. The primary advantage of the ARTSY method over other methods is the ability to measure couplings without scaling peak positions or altering the narrow line widths characteristic of TROSY spectra. Accuracy of the method is demonstrated for the model system GB3. Application to the catalytic core domain of HIV integrase, a 36 kDa homodimer with unfavorable spectral characteristics, demonstrates its practical utility. Precision of the RDC measurement is limited by the signal-to-noise ratio, S/N, achievable in the 2D TROSY-HSQC spectrum, and is approximately given by 30/(S/N) Hz.

  14. Longitudinal expansion of field line dipolarization

    Science.gov (United States)

    Saka, O.; Hayashi, K.

    2017-11-01

    We examine the substorm expansions that started at 1155 UT 10 August 1994 in the midnight sector focusing on the longitudinal (eastward) expansion of field line dipolarization in the auroral zone. Eastward expansion of the dipolarization region was observed in all of the H, D, and Z components. The dipolarization that started at 1155 UT (0027 MLT) from 260° of geomagnetic longitude (CMO) expanded to 351°(PBQ) in about 48 min. The expansion velocity was 0.03-0.04°/s, or 1.9 km/s at 62°N of geomagnetic latitude. The dipolarization region expanding to the east was accompanied by a bipolar event at the leading edge of the expansion in latitudes equatorward of the westward electrojet (WEJ). In the midnight sector at the onset meridian, the Magnetospheric Plasma Analyzer (MAP) on board geosynchronous satellite L9 measured electrons and ions between 10 eV and 40 keV. We conclude from the satellite observations that this dipolarization was characterized by the evolution of temperature anisotropies, an increase of the electron and ion temperatures, and a rapid change in the symmetry axis of the temperature tensor. The field line dipolarization and its longitudinal expansion were interpreted in terms of the slow MHD mode triggered by the current disruption. We propose a new magnetosphere-ionosphere coupling (MI-coupling) mechanism based on the scenario that transmitted westward electric fields from the magnetosphere in association with expanding dipolarization produced electrostatic potential (negative) in the ionosphere through differences in the mobility of collisional ions and collisionless electrons. The field-aligned currents that emerged from the negative potential region are arranged in a concentric pattern around the negative potential region, upward toward the center and downward on the peripheral.

  15. Solid-state NMR covariance of homonuclear correlation spectra.

    Science.gov (United States)

    Hu, Bingwen; Amoureux, Jean-Paul; Trebosc, Julien; Deschamps, Michael; Tricot, Gregory

    2008-04-07

    Direct covariance NMR spectroscopy, which does not involve a Fourier transformation along the indirect dimension, is demonstrated to obtain homonuclear correlation two-dimensional (2D) spectra in the solid state. In contrast to the usual 2D Fourier transform (2D-FT) NMR, in a 2D covariance (2D-Cov) spectrum the spectral resolution in the indirect dimension is determined by the resolution along the detection dimension, thereby largely reducing the time-consuming indirect sampling requirement. The covariance method does not need any separate phase correction or apodization along the indirect dimension because it uses those applied in the detection dimension. We compare in detail the specifications obtained with 2D-FT and 2D-Cov, for narrow and broad resonances. The efficiency of the covariance data treatment is demonstrated in organic and inorganic samples that are both well crystallized and amorphous, for spin -1/2 nuclei with 13C, 29Si, and 31P through-space or through-bond homonuclear 2D correlation spectra. In all cases, the experimental time has been reduced by at least a factor of 10, without any loss of resolution and signal to noise ratio, with respect to what is necessary with the 2D-FT NMR. According to this method, we have been able to study the silicate network of glasses by 2D NMR within reasonable experimental time despite the very long relaxation time of the 29Si nucleus. The main limitation of the 2D-Cov data treatment is related to the introduction of autocorrelated peaks onto the diagonal, which does not represent any actual connectivity.

  16. Exact Solutions for Internuclear Vectors and Backbone Dihedral Angles from NH Residual Dipolar Couplings in Two Media, and their Application in a Systematic Search Algorithm for Determining Protein Backbone Structure

    International Nuclear Information System (INIS)

    Wang Lincong; Donald, Bruce Randall

    2004-01-01

    We have derived a quartic equation for computing the direction of an internuclear vector from residual dipolar couplings (RDCs) measured in two aligning media, and two simple trigonometric equations for computing the backbone (φ,ψ) angles from two backbone vectors in consecutive peptide planes. These equations make it possible to compute, exactly and in constant time, the backbone (φ,ψ) angles for a residue from RDCs in two media on any single backbone vector type. Building upon these exact solutions we have designed a novel algorithm for determining a protein backbone substructure consisting of α-helices and β-sheets. Our algorithm employs a systematic search technique to refine the conformation of both α-helices and β-sheets and to determine their orientations using exclusively the angular restraints from RDCs. The algorithm computes the backbone substructure employing very sparse distance restraints between pairs of α-helices and β-sheets refined by the systematic search. The algorithm has been demonstrated on the protein human ubiquitin using only backbone NH RDCs, plus twelve hydrogen bonds and four NOE distance restraints. Further, our results show that both the global orientations and the conformations of α-helices and β-strands can be determined with high accuracy using only two RDCs per residue. The algorithm requires, as its input, backbone resonance assignments, the identification of α-helices and β-sheets as well as sparse NOE distance and hydrogen bond restraints.Abbreviations: NMR - nuclear magnetic resonance; RDC - residual dipolar coupling; NOE - nuclear Overhauser effect; SVD - singular value decomposition; DFS - depth-first search; RMSD - root mean square deviation; POF - principal order frame; PDB - protein data bank; SA - simulated annealing; MD - molecular dynamics

  17. Accurate Determination of Leucine and Valine Side-chain Conformations using U-[15N/13C/2H]/[1H-(methine/methyl)-Leu/Val] Isotope Labeling, NOE Pattern Recognition, and Methine Cγ-Hγ/Cβ-Hβ Residual Dipolar Couplings

    International Nuclear Information System (INIS)

    Tang, Chun; Iwahara, Junji; Clore, G. Marius

    2005-01-01

    An isotope labeling scheme is described in which specific protonation of methine and methyl protons of leucine and valine is obtained on a 15 N/ 13 C labeled background with uniform deuteration of all other non-exchangeable protons. The presence of a protonated methine group has little effect on the favorable relaxation properties of the methyl protons of Leu and Val. This labeling scheme permits the rotameric state of leucine side-chains to be readily determined by simple inspection of the pattern of Hγ(i)-H N (i) and Hγ(i)-H N (i+1) NOEs in a 3D 15 N-separated NOE spectrum free of complications arising from spectral overlap and spin-diffusion. In addition, one-bond residual dipolar couplings for the methine 13 C- 1 H bond vectors of Leu and Val can be accurately determined from an intensity J-modulated constant-time HCCH-COSY experiment and used to accurately orient the side-chains of Leu and Val. Incorporation of these data into structure refinement improves the accuracy with which the conformations of Leu and Val side-chains can be established. This is important to ensure optimal packing both within the protein core and at intermolecular interfaces. The impact of the method on protein structure determination is illustrated by application to enzyme IIA Chitobiose , a 34 kDa homotrimeric phosphotransferase protein

  18. Quantum states with topological properties via dipolar interactions

    Energy Technology Data Exchange (ETDEWEB)

    Peter, David

    2015-06-25

    This thesis proposes conceptually new ways to realize materials with topological properties by using dipole-dipole interactions. First, we study a system of ultracold dipolar fermions, where the relaxation mechanism of dipolar spins can be used to reach the quantum Hall regime. Second, in a system of polar molecules in an optical lattice, dipole-dipole interactions induce spin-orbit coupling terms for the rotational excitations. In combination with time-reversal symmetry breaking this leads to topological bands with Chern numbers greater than one.

  19. Dipolar ferromagnets and glasses (invited)

    International Nuclear Information System (INIS)

    Rosenbaum, T.F.; Wu, W.; Ellman, B.; Yang, J.; Aeppli, G.; Reich, D.H.

    1991-01-01

    What is the ground state and what are the dynamics of 10 23 randomly distributed Ising spins? We have attempted to answer these questions through magnetic susceptibility, calorimetric, and neutron scattering studies of the randomly diluted dipolar-coupled Ising magnet LiHo x Y 1-x F 4 . The material is ferromagnetic for dipole concentrations at least as low as x=0.46, with a Curie temperature obeying mean-field scaling relative to that of pure LiHoF 4 . In the dilute spin limit, an x=0.045 crystal shows very unusual glassy properties characterized by decreasing barriers to relaxation as T→0. Its properties are consistent with a single low degeneracy ground state with a large gap for excitations. A slightly more concentrated x=0.167 sample, however, supports a complex ground state with no appreciable gap, in accordance with prevailing theories of spin glasses. The underlying causes of such disparate behavior are discussed in terms of random clusters as probed by neutron studies of the x=0.167 sample. In addition to tracing the evolution of the glassy and ferromagnetic states with dipole concentration, we investigate the effects of a transverse magnetic field on the Ising spin glass, LiHo 0.167 Y 0.833 F 4 . The transverse field mixes the eigenfunctions of the ground-state Ising doublet with the otherwise inaccessible excited-state levels. We observe a rapid decrease in the characteristic relaxation times, large changes in the spectral form of the relaxation, and a depression of the spin-glass transition temperature with the addition of quantum fluctuations

  20. A general assignment method for oriented sample (OS) solid-state NMR of proteins based on the correlation of resonances through heteronuclear dipolar couplings in samples aligned parallel and perpendicular to the magnetic field.

    Science.gov (United States)

    Lu, George J; Son, Woo Sung; Opella, Stanley J

    2011-04-01

    A general method for assigning oriented sample (OS) solid-state NMR spectra of proteins is demonstrated. In principle, this method requires only a single sample of a uniformly ¹⁵N-labeled membrane protein in magnetically aligned bilayers, and a previously assigned isotropic chemical shift spectrum obtained either from solution NMR on micelle or isotropic bicelle samples or from magic angle spinning (MAS) solid-state NMR on unoriented proteoliposomes. The sequential isotropic resonance assignments are transferred to the OS solid-state NMR spectra of aligned samples by correlating signals from the same residue observed in protein-containing bilayers aligned with their normals parallel and perpendicular to the magnetic field. The underlying principle is that the resonances from the same residue have heteronuclear dipolar couplings that differ by exactly a factor of two between parallel and perpendicular alignments. The method is demonstrated on the membrane-bound form of Pf1 coat protein in phospholipid bilayers, whose assignments have been previously made using an earlier generation of methods that relied on the preparation of many selectively labeled (by residue type) samples. The new method provides the correct resonance assignments using only a single uniformly ¹⁵N-labeled sample, two solid-state NMR spectra, and a previously assigned isotropic spectrum. Significantly, this approach is equally applicable to residues in alpha helices, beta sheets, loops, and any other elements of tertiary structure. Moreover, the strategy bridges between OS solid-state NMR of aligned samples and solution NMR or MAS solid-state NMR of unoriented samples. In combination with the development of complementary experimental methods, it provides a step towards unifying these apparently different NMR approaches. Copyright © 2011 Elsevier Inc. All rights reserved.

  1. Dipolar and spinor bosonic systems

    Science.gov (United States)

    Yukalov, V. I.

    2018-05-01

    The main properties and methods of describing dipolar and spinor atomic systems, composed of bosonic atoms or molecules, are reviewed. The general approach for the correct treatment of Bose-condensed atomic systems with nonlocal interaction potentials is explained. The approach is applied to Bose-condensed systems with dipolar interaction potentials. The properties of systems with spinor interaction potentials are described. Trapped atoms and atoms in optical lattices are considered. Effective spin Hamiltonians for atoms in optical lattices are derived. The possibility of spintronics with cold atom is emphasized. The present review differs from the previous review articles by concentrating on a thorough presentation of basic theoretical points, helping the reader to better follow mathematical details and to make clearer physical conclusions.

  2. Dipolar quantum gases of erbium

    International Nuclear Information System (INIS)

    Frisch, A.

    2014-01-01

    Since the preparation of the first Bose-Einstein condensate about two decades ago and the first degenerate Fermi gas following four years later a plethora of fascinating quantum phenomena have been explored. The vast majority of experiments focused on quantum degenerate atomic gases with short-range contact interaction between particles. Atomic species with large magnetic dipole moments, such as chromium, dysprosium, and erbium, offer unique possibilities to investigate phenomena arising from dipolar interaction. This kind of interaction is not only long-range but also anisotropic in character and imprints qualitatively novel features on the system. Prominent examples are the d-wave collapse of a dipolar Bose-Einstein condensate of chromium atoms realized by the group in Stuttgart, the spin magnetization and demagnetization dynamics observed by groups in Stuttgart, Paris, and Stanford, and the deformation of the Fermi surface observed by our group in Innsbruck. This thesis reports on the creation and study of the first Bose-Einstein condensate and degenerate Fermi gas of erbium atoms. Erbium belongs to the lanthanide group of elements and has a large magnetic moment of seven Bohr magneton. In particular, this thesis describes the experimental apparatus and the sequence for producing a dipolar quantum gas. There is an emphasis on the production of the narrow-line magneto-optical trap of erbium since this represents a very efficient and robust laser-cooling scheme that greatly simplifies the experimental procedure. After describing the experimental setup this thesis focuses on several fundamental questions related to the dipolar character of erbium and to its lanthanide nature. A first set of studies centers on the scattering properties of ultracold erbium atoms, including the elastic and the inelastic cross section and the spectrum of Feshbach resonances. Specifically, we observe that identical dipolar fermions do collide and rethermalize even at low temperatures

  3. Electron distributions of the first-row homonuclear diatomic molecules, A2

    International Nuclear Information System (INIS)

    Ramirez, B.I.; Bielefeld Univ.

    1982-08-01

    Electron momentum density contour maps of the first-row homonuclear diatomic molecules, A 2 , are obtained from near Hartree-Fock wave functions. Both the total momentum density and momentum density difference (molecule - isolated atoms) maps present trends that may be related to the binding in the molecules. These results are compared with the corresponding charge density maps in position space (Bader, Henneker and Cade 1967). (author)

  4. Dipolar and quadrupolar defects in a transport line

    International Nuclear Information System (INIS)

    Leleux, G.; Nghiem, P.

    1991-01-01

    The defects on a transport line of linear accelerator are studied. A transport line where the elements are influenced by the design or position defects is analyzed. Only dipolar and quadrupolar defects are considered, and the coupling betwen transversal motions are excluded. The data from the literature and those calculated by transfer matrices are compared. The defects on a line are considered from an analytical point of view. Closed optical structures are also studied [fr

  5. Dipolar dark matter with massive bigravity

    International Nuclear Information System (INIS)

    Blanchet, Luc; Heisenberg, Lavinia

    2015-01-01

    Massive gravity theories have been developed as viable IR modifications of gravity motivated by dark energy and the problem of the cosmological constant. On the other hand, modified gravity and modified dark matter theories were developed with the aim of solving the problems of standard cold dark matter at galactic scales. Here we propose to adapt the framework of ghost-free massive bigravity theories to reformulate the problem of dark matter at galactic scales. We investigate a promising alternative to dark matter called dipolar dark matter (DDM) in which two different species of dark matter are separately coupled to the two metrics of bigravity and are linked together by an internal vector field. We show that this model successfully reproduces the phenomenology of dark matter at galactic scales (i.e. MOND) as a result of a mechanism of gravitational polarisation. The model is safe in the gravitational sector, but because of the particular couplings of the matter fields and vector field to the metrics, a ghost in the decoupling limit is present in the dark matter sector. However, it might be possible to push the mass of the ghost beyond the strong coupling scale by an appropriate choice of the parameters of the model. Crucial questions to address in future work are the exact mass of the ghost, and the cosmological implications of the model

  6. Thermodynamics of Dipolar Chain Systems

    DEFF Research Database (Denmark)

    R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.

    2012-01-01

    The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects...... numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments....

  7. Broadband homonuclear TOCSY with amplitude and phase-modulated RF mixing schemes

    International Nuclear Information System (INIS)

    Kirschstein, Anika; Herbst, Christian; Riedel, Kerstin; Carella, Michela; Leppert, Joerg; Ohlenschlaeger, Oliver; Goerlach, Matthias; Ramachandran, Ramadurai

    2008-01-01

    We have explored the design of broadband scalar coupling mediated 13 C- 13 C and cross-relaxation suppressed 1 H- 1 H TOCSY sequences employing phase/amplitude modulated inversion pulses. Considering a variety of supercycles, pulsewidths and a RF field strength of 10 kHz, the Fourier coefficients defining the amplitude and phase modulation profiles of the 180 deg. pulses were optimised numerically so as to obtain efficient magnetisation transfer within the desired range of resonance offsets. The coherence transfer characteristics of the mixing schemes were assessed via numerical simulations and experimental measurements and were compared with commonly used sequences based on rectangular RF pulses. The efficacies of the clean 1 H- 1 H TOCSY sequences were also examined via numerical simulations for application to weakly oriented systems and sequences with efficient, broadband and clean dipolar transfer characteristics were identified. In general, the amplitude and phase modulated TOCSY sequences presented here have moderately better performance characteristics than the sequences currently employed in biomolecular NMR spectroscopy

  8. Thermal entanglement and teleportation in a dipolar interacting system

    Energy Technology Data Exchange (ETDEWEB)

    Castro, C.S., E-mail: ccastro@if.uff.br [Instituto de Física, Universidade Federal Fluminense, Av. Gal. Milton Tavares de Souza s/n, Gragoatá, 24210-346 Niterói, RJ (Brazil); Centro de Formação de Professores, Universidade Federal do Recôncavo da Bahia, Av. Nestor de Mello Pita, n. 535, 45.300-000 Amargosa, BA (Brazil); Duarte, O.S.; Pires, D.P.; Soares-Pinto, D.O. [Instituto de Física de São Carlos, Universidade de São Paulo, P.O. Box 369, São Carlos, 13560-970 SP (Brazil); Reis, M.S. [Instituto de Física, Universidade Federal Fluminense, Av. Gal. Milton Tavares de Souza s/n, Gragoatá, 24210-346 Niterói, RJ (Brazil)

    2016-04-22

    Quantum teleportation, which depends on entangled states, is a fascinating subject and an important branch of quantum information processing. The present work reports the use of a dipolar spin thermal system as a noisy quantum channel to perform quantum teleportation. Non-locality, tested by violation of Bell's inequality and thermal entanglement, measured by negativity, shows that for the present model all entangled states, even those that do not violate Bell's inequality, are useful for teleportation. - Highlights: • The effects of a dipolar interaction between two spins on their degree of entanglement and non-locality is reported. • The model presents some degree of non-locality and entanglement at a given coupling parameters. • It is shown how the magnetic anisotropies can influence the fidelity of teleportation.

  9. Dipolarization Fronts from Reconnection Onset

    Science.gov (United States)

    Sitnov, M. I.; Swisdak, M. M.; Merkin, V. G.; Buzulukova, N.; Moore, T. E.

    2012-12-01

    Dipolarization fronts observed in the magnetotail are often viewed as signatures of bursty magnetic reconnection. However, until recently spontaneous reconnection was considered to be fully prohibited in the magnetotail geometry because of the linear stability of the ion tearing mode. Recent theoretical studies showed that spontaneous reconnection could be possible in the magnetotail geometries with the accumulation of magnetic flux at the tailward end of the thin current sheet, a distinctive feature of the magnetotail prior to substorm onset. That result was confirmed by open-boundary full-particle simulations of 2D current sheet equilibria, where two magnetotails were separated by an equilibrium X-line and weak external electric field was imposed to nudge the system toward the instability threshold. To investigate the roles of the equilibrium X-line, driving electric field and other parameters in the reconnection onset process we performed a set of 2D PIC runs with different initial settings. The investigated parameter space includes the critical current sheet thickness, flux tube volume per unit magnetic flux and the north-south component of the magnetic field. Such an investigation is critically important for the implementation of kinetic reconnection onset criteria into global MHD codes. The results are compared with Geotail visualization of the magnetotail during substorms, as well as Cluster and THEMIS observations of dipolarization fronts.

  10. Designing Hysteresis with Dipolar Chains

    Science.gov (United States)

    Concha, Andrés; Aguayo, David; Mellado, Paula

    2018-04-01

    Materials that have hysteretic response to an external field are essential in modern information storage and processing technologies. A myriad of magnetization curves of several natural and artificial materials have previously been measured and each has found a particular mechanism that accounts for it. However, a phenomenological model that captures all the hysteresis loops and at the same time provides a simple way to design the magnetic response of a material while remaining minimal is missing. Here, we propose and experimentally demonstrate an elementary method to engineer hysteresis loops in metamaterials built out of dipolar chains. We show that by tuning the interactions of the system and its geometry we can shape the hysteresis loop which allows for the design of the softness of a magnetic material at will. Additionally, this mechanism allows for the control of the number of loops aimed to realize multiple-valued logic technologies. Our findings pave the way for the rational design of hysteretical responses in a variety of physical systems such as dipolar cold atoms, ferroelectrics, or artificial magnetic lattices, among others.

  11. Independent EEG sources are dipolar.

    Directory of Open Access Journals (Sweden)

    Arnaud Delorme

    Full Text Available Independent component analysis (ICA and blind source separation (BSS methods are increasingly used to separate individual brain and non-brain source signals mixed by volume conduction in electroencephalographic (EEG and other electrophysiological recordings. We compared results of decomposing thirteen 71-channel human scalp EEG datasets by 22 ICA and BSS algorithms, assessing the pairwise mutual information (PMI in scalp channel pairs, the remaining PMI in component pairs, the overall mutual information reduction (MIR effected by each decomposition, and decomposition 'dipolarity' defined as the number of component scalp maps matching the projection of a single equivalent dipole with less than a given residual variance. The least well-performing algorithm was principal component analysis (PCA; best performing were AMICA and other likelihood/mutual information based ICA methods. Though these and other commonly-used decomposition methods returned many similar components, across 18 ICA/BSS algorithms mean dipolarity varied linearly with both MIR and with PMI remaining between the resulting component time courses, a result compatible with an interpretation of many maximally independent EEG components as being volume-conducted projections of partially-synchronous local cortical field activity within single compact cortical domains. To encourage further method comparisons, the data and software used to prepare the results have been made available (http://sccn.ucsd.edu/wiki/BSSComparison.

  12. Thermodynamics of Dipolar Chain Systems

    International Nuclear Information System (INIS)

    Armstrong, J.R.; Zinner, N.T.; Fedorov, D.V.; Jensen, A.S.

    2013-01-01

    The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects of the intralayer repulsion and quantum statistical requirements in systems with more than one chain. Specifically, we consider the case of two chains and solve the problem analytically within the harmonic Hamiltonian approach which is accurate for large dipole moments. The case of three chains is calculated numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments. (author)

  13. Evaluation of magnetic dipolar terms in molecules

    International Nuclear Information System (INIS)

    Muniz, R.B.; Brandi, H.S.; Maffeo, B.

    1977-01-01

    The magnetic dipolar parameter b for several values of the internuclear distance in the molecule F 2 - is evaluated. The difficulties appearing in the calculations are discussed and a manner to overcome them is presented [pt

  14. Imaging using long range dipolar field effects

    International Nuclear Information System (INIS)

    Gutteridge, Sarah

    2002-01-01

    The work in this thesis has been undertaken by the author, except where indicated in reference, within the Magnetic Resonance Centre, at the University of Nottingham during the period from October 1998 to March 2001. This thesis details the different characteristics of the long range dipolar field and its application to magnetic resonance imaging. The long range dipolar field is usually neglected in nuclear magnetic resonance experiments, as molecular tumbling decouples its effect at short distances. However, in highly polarised samples residual long range components have a significant effect on the evolution of the magnetisation, giving rise to multiple spin echoes and unexpected quantum coherences. Three applications utilising these dipolar field effects are documented in this thesis. The first demonstrates the spatial sensitivity of the signal generated via dipolar field effects in structured liquid state samples. The second utilises the signal produced by the dipolar field to create proton spin density maps. These maps directly yield an absolute value for the water content of the sample that is unaffected by relaxation and any RF inhomogeneity or calibration errors in the radio frequency pulses applied. It has also been suggested that the signal generated by dipolar field effects may provide novel contrast in functional magnetic resonance imaging. In the third application, the effects of microscopic susceptibility variation on the signal are studied and the relaxation rate of the signal is compared to that of a conventional spin echo. (author)

  15. Synchronization of spin torque nano-oscillators through dipolar interactions

    International Nuclear Information System (INIS)

    Chen, Hao-Hsuan; Wu, Jong-Ching; Horng, Lance; Lee, Ching-Ming; Chang, Ching-Ray; Chang, Jui-Hang

    2014-01-01

    In an array of spin-torque nano-oscillators (STNOs) that combine a perpendicular polarized fixed layer with strong in-plane anisotropy in the free layers, magnetic dipolar interactions can effectively phase-lock the array, thus further enhancing the power of the output microwave signals. We perform a qualitative analysis of the synchronization of an array based on the Landau-Lifshitz-Gilbert equation, with a spin-transfer torque that assumes strong in-plane anisotropy. Finally, we present the numerical results for four coupled STNOs to provide further evidence for the proposed theory

  16. Synchronization of spin torque nano-oscillators through dipolar interactions

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Hao-Hsuan, E-mail: d95222014@ntu.edu.tw; Wu, Jong-Ching, E-mail: phjcwu@cc.ncue.edu.tw; Horng, Lance [Department of Physics, National Changhua University of Education, Changhua 500, Taiwan (China); Lee, Ching-Ming [Graduate School of Materials Science, National Yunlin University of Science and Technology, Douliou, 64002, Taiwan (China); Chang, Ching-Ray, E-mail: crchang@phys.ntu.edu.tw; Chang, Jui-Hang [Department of Physics and Center for Quantum Sciences and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

    2014-04-07

    In an array of spin-torque nano-oscillators (STNOs) that combine a perpendicular polarized fixed layer with strong in-plane anisotropy in the free layers, magnetic dipolar interactions can effectively phase-lock the array, thus further enhancing the power of the output microwave signals. We perform a qualitative analysis of the synchronization of an array based on the Landau-Lifshitz-Gilbert equation, with a spin-transfer torque that assumes strong in-plane anisotropy. Finally, we present the numerical results for four coupled STNOs to provide further evidence for the proposed theory.

  17. Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy

    International Nuclear Information System (INIS)

    León, H.

    2013-01-01

    The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112 ¯ ] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: ► Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. ► Numerical results are presented for distorted fcc [001] structures. ► The lowest energy of a system depends on how the tetragonal distortion is achieved. ► A striped phase with magnetization in the [112 ¯ ] direction is the ground state. ► In multidomain NiO and MnO films it is eightfold degenerate.

  18. Dipolar modulation of Large-Scale Structure

    Science.gov (United States)

    Yoon, Mijin

    For the last two decades, we have seen a drastic development of modern cosmology based on various observations such as the cosmic microwave background (CMB), type Ia supernovae, and baryonic acoustic oscillations (BAO). These observational evidences have led us to a great deal of consensus on the cosmological model so-called LambdaCDM and tight constraints on cosmological parameters consisting the model. On the other hand, the advancement in cosmology relies on the cosmological principle: the universe is isotropic and homogeneous on large scales. Testing these fundamental assumptions is crucial and will soon become possible given the planned observations ahead. Dipolar modulation is the largest angular anisotropy of the sky, which is quantified by its direction and amplitude. We measured a huge dipolar modulation in CMB, which mainly originated from our solar system's motion relative to CMB rest frame. However, we have not yet acquired consistent measurements of dipolar modulations in large-scale structure (LSS), as they require large sky coverage and a number of well-identified objects. In this thesis, we explore measurement of dipolar modulation in number counts of LSS objects as a test of statistical isotropy. This thesis is based on two papers that were published in peer-reviewed journals. In Chapter 2 [Yoon et al., 2014], we measured a dipolar modulation in number counts of WISE matched with 2MASS sources. In Chapter 3 [Yoon & Huterer, 2015], we investigated requirements for detection of kinematic dipole in future surveys.

  19. Dipolar Antiferromagnetism and Quantum Criticality in LiErF4

    International Nuclear Information System (INIS)

    Kraemer, Conradin; Nikseresht, Neda; Piatek, Julian; Tsyrulin, Nikolay; Piazza, Bastien; Kiefer, Klaus; Klemke, Bastian; Rosenbaum, Thomas; Aeppli, Gabriel; Gannarelli, Che; Prokes, Karel; Straessle, Thierry; Keller, Lukas; Zaharko, Oksana; Kraemer, Karl; Ronnow, Henrik

    2012-01-01

    Magnetism has been predicted to occur in systems in which dipolar interactions dominate exchange. We present neutron scattering, specific heat, and magnetic susceptibility data for LiErF 4 , establishing it as a model dipolar-coupled antiferromagnet with planar spin-anisotropy and a quantum phase transition in applied field H c# parallel# = 4.0 ± 0.1 kilo-oersteds. We discovered non-mean-field critical scaling for the classical phase transition at the antiferromagnetic transition temperature that is consistent with the two-dimensional XY/h 4 universality class; in accord with this, the quantum phase transition at H c exhibits three-dimensional classical behavior. The effective dimensional reduction may be a consequence of the intrinsic frustrated nature of the dipolar interaction, which strengthens the role of fluctuations.

  20. Finite-size corrections in simulation of dipolar fluids

    Science.gov (United States)

    Belloni, Luc; Puibasset, Joël

    2017-12-01

    Monte Carlo simulations of dipolar fluids are performed at different numbers of particles N = 100-4000. For each size of the cubic cell, the non-spherically symmetric pair distribution function g(r,Ω) is accumulated in terms of projections gmnl(r) onto rotational invariants. The observed N dependence is in very good agreement with the theoretical predictions for the finite-size corrections of different origins: the explicit corrections due to the absence of fluctuations in the number of particles within the canonical simulation and the implicit corrections due to the coupling between the environment around a given particle and that around its images in the neighboring cells. The latter dominates in fluids of strong dipolar coupling characterized by low compressibility and high dielectric constant. The ability to clean with great precision the simulation data from these corrections combined with the use of very powerful anisotropic integral equation techniques means that exact correlation functions both in real and Fourier spaces, Kirkwood-Buff integrals, and bridge functions can be derived from box sizes as small as N ≈ 100, even with existing long-range tails. In the presence of dielectric discontinuity with the external medium surrounding the central box and its replica within the Ewald treatment of the Coulombic interactions, the 1/N dependence of the gmnl(r) is shown to disagree with the, yet well-accepted, prediction of the literature.

  1. Ultracold Dipolar Gases in Optical Lattices

    OpenAIRE

    Trefzger, C.; Menotti, C.; Capogrosso-Sansone, B.; Lewenstein, M.

    2011-01-01

    This tutorial is a theoretical work, in which we study the physics of ultra-cold dipolar bosonic gases in optical lattices. Such gases consist of bosonic atoms or molecules that interact via dipolar forces, and that are cooled below the quantum degeneracy temperature, typically in the nK range. When such a degenerate quantum gas is loaded into an optical lattice produced by standing waves of laser light, new kinds of physical phenomena occur. These systems realize then extended Hubbard-type m...

  2. Spin-echo based diagonal peak suppression in solid-state MAS NMR homonuclear chemical shift correlation spectra

    Science.gov (United States)

    Wang, Kaiyu; Zhang, Zhiyong; Ding, Xiaoyan; Tian, Fang; Huang, Yuqing; Chen, Zhong; Fu, Riqiang

    2018-02-01

    The feasibility of using the spin-echo based diagonal peak suppression method in solid-state MAS NMR homonuclear chemical shift correlation experiments is demonstrated. A complete phase cycling is designed in such a way that in the indirect dimension only the spin diffused signals are evolved, while all signals not involved in polarization transfer are refocused for cancellation. A data processing procedure is further introduced to reconstruct this acquired spectrum into a conventional two-dimensional homonuclear chemical shift correlation spectrum. A uniformly 13C, 15N labeled Fmoc-valine sample and the transmembrane domain of a human protein, LR11 (sorLA), in native Escherichia coli membranes have been used to illustrate the capability of the proposed method in comparison with standard 13C-13C chemical shift correlation experiments.

  3. Accurate Determination of Leucine and Valine Side-chain Conformations using U-[{sup 15}N/{sup 13}C/{sup 2}H]/[{sup 1}H-(methine/methyl)-Leu/Val] Isotope Labeling, NOE Pattern Recognition, and Methine C{gamma}-H{gamma}/C{beta}-H{beta} Residual Dipolar Couplings

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Chun; Iwahara, Junji; Clore, G. Marius [National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Laboratory of Chemical Physics (United States)], E-mail: mariusc@intra.niddk.nih.gov

    2005-10-15

    An isotope labeling scheme is described in which specific protonation of methine and methyl protons of leucine and valine is obtained on a {sup 15}N/{sup 13}C labeled background with uniform deuteration of all other non-exchangeable protons. The presence of a protonated methine group has little effect on the favorable relaxation properties of the methyl protons of Leu and Val. This labeling scheme permits the rotameric state of leucine side-chains to be readily determined by simple inspection of the pattern of H{gamma}(i)-H{sub N}(i) and H{gamma}(i)-H{sub N}(i+1) NOEs in a 3D {sup 15}N-separated NOE spectrum free of complications arising from spectral overlap and spin-diffusion. In addition, one-bond residual dipolar couplings for the methine {sup 13}C-{sup 1}H bond vectors of Leu and Val can be accurately determined from an intensity J-modulated constant-time HCCH-COSY experiment and used to accurately orient the side-chains of Leu and Val. Incorporation of these data into structure refinement improves the accuracy with which the conformations of Leu and Val side-chains can be established. This is important to ensure optimal packing both within the protein core and at intermolecular interfaces. The impact of the method on protein structure determination is illustrated by application to enzyme IIA{sup Chitobiose}, a 34 kDa homotrimeric phosphotransferase protein.

  4. Assignment strategies in homonuclear three-dimensional 1H NMR spectra of proteins

    International Nuclear Information System (INIS)

    Vuister, G.W.; Boelens, R.; Padilla, A.; Kleywegt, G.J.; Kaptein, R.

    1990-01-01

    The increase in dimensionality of three-dimensional (3D) NMR greatly enhances the spectral resolution in comparison to 2D NMR. It alleviates the problem of resonance overlap and may extend the range of molecules amenable to structure determination by high-resolution NMR spectroscopy. Here, the authors present strategies for the assignment of protein resonances from homonuclear nonselective 3D NOE-HOHAHA spectra. A notation for connectivities between protons, corresponding to cross peaks in 3D spectra, is introduced. They show how spin systems can be identified by tracing cross-peak patterns in cross sections perpendicular to the three frequency axes. The observable 3D sequential connectivities in proteins are tabulated, and estimates for the relative intensities of the corresponding cross peaks are given for α-helical and β-sheet conformations. Intensities of the cross peaks in the 3D spectrum of pike III paravalbumin follow the predictions. The sequential-assignment procedure is illustrated for loop regions, extended and α-helical conformations for the residues Ala 54-Leu 63 of paravalbumin. NOEs that were not previously identified in 2D spectra of paravalbumin due to overlap are found

  5. Heterogeneous dipolar theory of the exponential pile

    International Nuclear Information System (INIS)

    Mastrangelo, P.V.

    1981-01-01

    We present a heterogeneous theory of the exponential pile, closely related to NORDHEIM-SCALETTAR's. It is well adapted to lattice whose pitch is relatively large (D-2O, grahpite) and the dimensions of whose channels are not negligible. The anisotropy of neutron diffusion is taken into account by the introduction of dipolar parameters. We express the contribution of each channel to the total flux in the moderator by means of multipolar coefficients. In order to be able to apply conditions of continuity between the flux and their derivatives, on the side of the moderator, we develop in a Fourier series the fluxes found at the periphery of each channel. Using Wronski's relations of Bessel's functions, we express the multipolar coefficients of the surfaces of each channel, on the side of the moderator, by means of the harmonics of each flux and their derivatives. We retain only monopolar (A 0 sub(g)) and dipolar (A 1 sub(g)) coefficients; those of a higher order are ignored. We deduce from these coefficients the systems of homogeneous equations of the exponential pile with monopoles on their own and monopoles plus dipoles. It should be noted that the systems of homogeneous equations of the critical pile are contained in those of the exponential pile. In another article, we develop the calculation of monopolar and dipolar heterogeneous parameters. (orig.)

  6. On nonlinear dynamics of a dipolar exciton BEC in two-layer graphene

    International Nuclear Information System (INIS)

    Berman, O.L.; Kezerashvili, R.Ya.; Kolmakov, G.V.

    2012-01-01

    The nonlinear dynamics of a Bose–Einstein condensate (BEC) of dipolar excitons in two-layer graphene is studied. It is demonstrated that a steady turbulent state is formed in this system. A comparison between the dynamics of the exciton BEC in two-layer graphene and those in GaAs/AlGaAs coupled quantum wells shows that turbulence is a general effect in a BEC.

  7. Existence of solitary waves in dipolar quantum gases

    KAUST Repository

    Antonelli, Paolo; Sparber, Christof

    2011-01-01

    We study a nonlinear Schrdinger equation arising in the mean field description of dipolar quantum gases. Under the assumption of sufficiently strong dipolar interactions, the existence of standing waves, and hence solitons, is proved together with some of their properties. This gives a rigorous argument for the possible existence of solitary waves in BoseEinstein condensates, which originate solely due to the dipolar interaction between the particles. © 2010 Elsevier B.V. All rights reserved.

  8. Existence of solitary waves in dipolar quantum gases

    KAUST Repository

    Antonelli, Paolo

    2011-02-01

    We study a nonlinear Schrdinger equation arising in the mean field description of dipolar quantum gases. Under the assumption of sufficiently strong dipolar interactions, the existence of standing waves, and hence solitons, is proved together with some of their properties. This gives a rigorous argument for the possible existence of solitary waves in BoseEinstein condensates, which originate solely due to the dipolar interaction between the particles. © 2010 Elsevier B.V. All rights reserved.

  9. Quantum simulation and quantum information processing with molecular dipolar crystals

    International Nuclear Information System (INIS)

    Ortner, M.

    2011-01-01

    In this thesis interactions between dipolar crystals and neutral atoms or separated molecules have been investigated. They were motivated to realize new kinds of lattice models in mixtures of atoms and polar molecules where an MDC functions as an underlying periodic lattice structure for the second species. Such models bring out the peculiar features of MDC's, that include a controllable, potentially sub-optical wavelength periodicity and strong particle phonon interactions. Only stable collisional configurations have been investigated, excluding chemical reactions between the substituents, and crystal distortions beyond the scope of perturbation theory. The system was treated in the polaron picture where particles of the second species are dressed by surrounding crystal phonons. To describe the competition between coherent and incoherent dynamics of the polarons, a master equation in the Brownian motion limit was used with phonons treated as a thermal heat bath. It was shown analytically that in a wide range of realistic parameters the corrections to the coherent time evolution are small, and that the dynamics of the dressed particles can be described by an effective extended Hubbard model with controllable system parameters. The last chapter of this thesis contains a proposal for QIP with cold polar molecules that, in contrast to previous works, uses an MDC as a quantum register. It was motivated by the unique features of dipolar molecules and to exploit the peculiar physical conditions in dipolar crystals. In this proposal the molecular dipole moments were tailored by non-local fields to include a small, switchable, state-dependent dipole moment in addition to the large internal state independent moment that stabilizes the crystal. It was shown analytically that a controllable, non-trivial phonon-mediated interaction can be generated that exceeds non-trivial, direct dipole-dipole couplings. The addressability problem due to high crystal densities was overcome by

  10. Using the phase shift to asymptotically characterize the dipolar mixed modes in post-main-sequence stars

    DEFF Research Database (Denmark)

    Jiang, C.; Christensen-Dalsgaard, J.; Cunha, M.

    2018-01-01

    from the eigenvalue condition for mixed modes as a tool to characterize dipolar mixed modes from the theoretical as well as the practical point of view. Unlike the coupling strength, whose variation in a given star is very small over the relevant frequency range, the phase shifts vary significantly...

  11. Ultracold chromium: a dipolar quantum gas

    International Nuclear Information System (INIS)

    Pfau, T.; Stuhler, J.; Griesmaier, A.; Fattori, M.; Koch, T.

    2005-01-01

    We report on our recent achievement of a Bose-Einstein condensate in a gas of chromium atoms. Peculiar electronic and magnetic properties of chromium require the implementation of novel cooling strategies. We observe up to ∼ 10 5 condensed 52 Cr atoms after forced evaporation within a crossed optical dipole trap. Due to its large magnetic moment (6μ B ), the dipole-dipole interaction strength in chromium is comparable with the one of the van der Waals interaction. We prove the anisotropic nature of the dipolar interaction by releasing the condensate from a cigar shaped trap and observe, in time of flight measurements, the change of the aspect-ratio for different in-trap orientations of the atomic dipoles. We also report on the recent observation of 14 Feshbach resonances in elastic collisions between polarized ultra-cold 52 Cr atoms. This is the first Ballistic expansion of a dipolar quantum gas: The anisotropic interaction leads to a different expansion dynamics for the case of the magnetic dipoles aligned with the symmetry axis of the cigar shaped trap as compared with the dipoles oriented perpendicular to the axis of the cigar. The straight lines correspond to the theoretical expectation according to mean field theory without free parameters. observation of collisional Feshbach resonances in an atomic species with more than one valence electron. Moreover, such resonances constitute an important tool towards the realization of a purely dipolar interacting gas because they can be used to change strength and sign of the van der Waals interaction. (author)

  12. Non-dipolar gauge links for transverse-momentum-dependent pion wave functions

    International Nuclear Information System (INIS)

    Wang, Y.M.

    2016-01-01

    I discuss the factorization-compatible definitions of transverse-momentum-dependent (TMD) pion wave functions which are fundamental theory inputs entering QCD factorization formulae for many hard exclusive processes. I will first demonstrate that the soft subtraction factor introduced to remove both rapidity and pinch singularities can be greatly reduced by making the maximal use of the freedom to construct the Wilson-line paths when defining the TMD wave functions. I will then turn to show that the newly proposed TMD definition with non-dipolar Wilson lines is equivalent to the one with dipolar gauge links and with a complicated soft function, to all orders of the perturbative expansion in the strong coupling, as far as the infrared behavior is concerned. (author)

  13. Mechanism and regioselectivity of 1,3-dipolar cycloaddition ...

    Indian Academy of Sciences (India)

    1,3-Dipolar cycloaddition; sulphur-centred 1,3-dipoles; regioselectivity; DFT reactivity indices;. FMO theory. 1. Introduction. Five-membered heterocyclic compounds can be gene- rated by addition of a 1,3-dipole to a dipolarophile under a 1,3-dipolar cycloaddition (1,3-DC) reaction which is well known as pericyclic reaction.

  14. Critical Time Crystals in Dipolar Systems.

    Science.gov (United States)

    Ho, Wen Wei; Choi, Soonwon; Lukin, Mikhail D; Abanin, Dmitry A

    2017-07-07

    We analyze the quantum dynamics of periodically driven, disordered systems in the presence of long-range interactions. Focusing on the stability of discrete time crystalline (DTC) order in such systems, we use a perturbative procedure to evaluate its lifetime. For 3D systems with dipolar interactions, we show that the corresponding decay is parametrically slow, implying that robust, long-lived DTC order can be obtained. We further predict a sharp crossover from the stable DTC regime into a regime where DTC order is lost, reminiscent of a phase transition. These results are in good agreement with the recent experiments utilizing a dense, dipolar spin ensemble in diamond [Nature (London) 543, 221 (2017)NATUAS0028-083610.1038/nature21426]. They demonstrate the existence of a novel, critical DTC regime that is stabilized not by many-body localization but rather by slow, critical dynamics. Our analysis shows that the DTC response can be used as a sensitive probe of nonequilibrium quantum matter.

  15. Cluster and Double Star observations of dipolarization

    Directory of Open Access Journals (Sweden)

    R. Nakamura

    2005-11-01

    Full Text Available We studied two types of dipolarization events with different IMF conditions when Cluster and Double Star (TC-1 were located in the same local time sector: 7 August 2004, 18:00-24:00 UT, during a disturbed southward/northward IMF interval, and 14 August 2004, 21:00-24:00 UT, when the IMF was stably northward. Cluster observed dipolarization as well as fast flows during both intervals, but this was not the case for TC-1. For both events the satellites crossed near the conjugate location of the MIRACLE stations. By using multi-point analysis techniques, the direction/speed of the propagation is determined using Cluster and is then compared with the disturbances at TC-1 to discuss its spatial/temporal scale. The propagation direction of the BZ disturbance at Cluster was mainly dawnward with a tailward component for 7 August and with a significant Earthward component for 14 August associated with fast flows. We suggest that the role of the midtail fast flows can be quite different in the dissipation process depending on the condition of the IMF and resultant configuration of the tail.

  16. Perturbation theories for the dipolar fluids

    International Nuclear Information System (INIS)

    Lee, L.L.; Chung, T.H.

    1983-01-01

    We derive here four different perturbation equations for the calculation of the angular pair correlation functions of dipolar fluids; namely, the first order y-expansion, the modified Percus--Yevik (MPY) expansion, the modified hypernetted chain (MHNC) expansion, and the modified linearized hypernetted chain (MLHNC) equation. Both the method of the functional expansion and the method of the cluster integrals are utilized. Comparison with other perturbation theories (e.g., the Melnyk--Smith equation) is made. While none of the theories is exact, as shown by the cluster diagrams, the MLHNC and the MHNC contain more diagrams than, say, the MPY and y-expansion. The y-expansion equation can be improved by including the correction terms to the Kirkwood superposition approximation for the triplet correlation function. For example, the inclusion of the correction term rho∫d4h(14)h(24)h(34) in a formula given by Henderson, is shown to improve substantially the y-expansion equation. We examine the performance of two of the theories: the y-expansion and the MLHNC equation for a Stockmayer (dipolar) fluid with a reduced dipole moment μ/sup asterisk2/ [ = μ 2 /(epsilonsigma 3 )] = 1.0. Comparison with Monte Carlo simulation results of Adams et al. and with other theories (e.g., the QHNC equation) shows that our results are reasonable. Further improvements of the equations are also pointed out

  17. New Developments in Spin Labels for Pulsed Dipolar EPR

    Directory of Open Access Journals (Sweden)

    Alistair J. Fielding

    2014-10-01

    Full Text Available Spin labelling is a chemical technique that enables the integration of a molecule containing an unpaired electron into another framework for study. Given the need to understand the structure, dynamics, and conformational changes of biomacromolecules, spin labelling provides a relatively non-intrusive technique and has certain advantages over X-ray crystallography; which requires high quality crystals. The technique relies on the design of binding probes that target a functional group, for example, the thiol group of a cysteine residue within a protein. The unpaired electron is typically supplied through a nitroxide radical and sterically shielded to preserve stability. Pulsed electron paramagnetic resonance (EPR techniques allow small magnetic couplings to be measured (e.g., <50 MHz providing information on single label probes or the dipolar coupling between multiple labels. In particular, distances between spin labels pairs can be derived which has led to many protein/enzymes and nucleotides being studied. Here, we summarise recent examples of spin labels used for pulse EPR that serve to illustrate the contribution of chemistry to advancing discoveries in this field.

  18. Residual dipolar couplings: are multiple independent alignments always possible?

    International Nuclear Information System (INIS)

    Higman, Victoria A.; Boyd, Jonathan; Smith, Lorna J.; Redfield, Christina

    2011-01-01

    RDCs for the 14 kDa protein hen egg-white lysozyme (HEWL) have been measured in eight different alignment media. The elongated shape and strongly positively charged surface of HEWL appear to limit the protein to four main alignment orientations. Furthermore, low levels of alignment and the protein’s interaction with some alignment media increases the experimental error. Together with heterogeneity across the alignment media arising from constraints on temperature, pH and ionic strength for some alignment media, these data are suitable for structure refinement, but not the extraction of dynamic parameters. For an analysis of protein dynamics the data must be obtained with very low errors in at least three or five independent alignment media (depending on the method used) and so far, such data have only been reported for three small 6–8 kDa proteins with identical folds: ubiquitin, GB1 and GB3. Our results suggest that HEWL is likely to be representative of many other medium to large sized proteins commonly studied by solution NMR. Comparisons with over 60 high-resolution crystal structures of HEWL reveal that the highest resolution structures are not necessarily always the best models for the protein structure in solution.

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

    DEFF Research Database (Denmark)

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

    2017-01-01

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

  20. Dipolar vortex structures in magnetized rotating plasma

    International Nuclear Information System (INIS)

    Liu Jixing

    1990-01-01

    Dipolar solitary vortices of both electrostatic and electromagnetic character in low-β, in homogeneous rotating plasma confined in a constant external magnetic field were systematically presented. The main stimulus to this investigation is the expectation to apply this coherent structure as a candidate constituent of plasma turbulance to understand the anomalous transport phenomena in confined plasma. The electrostatic vortices have similar structure and properties as the Rossby vortices in rotating fluids, the electromagnetic vortices obtained here have no analogy in hydrodynamics and hence are intrinsic to magnetized plasma. It is valuably remarked that the intrinsic electromagnetic vortices presented here have no discontinuity of perturbed magnetic field δB and parallel current j(parallel) on the border of vortex core. The existence region of the new type of vortex is found much narrower than the Rossby type one. (M.T.)

  1. Calculation of Ground State Rotational Populations for Kinetic Gas Homonuclear Diatomic Molecules including Electron-Impact Excitation and Wall Collisions

    International Nuclear Information System (INIS)

    Farley, David R.

    2010-01-01

    A model has been developed to calculate the ground-state rotational populations of homonuclear diatomic molecules in kinetic gases, including the effects of electron-impact excitation, wall collisions, and gas feed rate. The equations are exact within the accuracy of the cross sections used and of the assumed equilibrating effect of wall collisions. It is found that the inflow of feed gas and equilibrating wall collisions can significantly affect the rotational distribution in competition with non-equilibrating electron-impact effects. The resulting steady-state rotational distributions are generally Boltzmann for N (ge) 3, with a rotational temperature between the wall and feed gas temperatures. The N = 0,1,2 rotational level populations depend sensitively on the relative rates of electron-impact excitation versus wall collision and gas feed rates.

  2. Characterizing Ion Flows Across a Dipolarization Front

    Science.gov (United States)

    Arnold, H.; Drake, J. F.; Swisdak, M.

    2017-12-01

    In light of the Magnetospheric Multiscale Mission (MMS) moving to study predominately symmetric magnetic reconnection in the Earth's magnetotail, it is of interest to investigate various methods for determining the relative location of the satellites with respect to the x line or a dipolarization front. We use a 2.5 dimensional PIC simulation to explore the dependence of various characteristics of a front, or flux bundle, on the width of the front in the dawn-dusk direction. In particular, we characterize the ion flow in the x-GSM direction across the front. We find a linear relationship between the width of a front, w, and the maximum velocity of the ion flow in the x-GSM direction, Vxi, for small widths: Vxi/VA=w/di*1/2*(mVA2)/Ti*Bz/Bxwhere m, VA, di, Ti, Bz, and Bx are the ion mass, upstream Alfven speed, ion inertial length, ion temperature, and magnetic fields in the z-GSM and x-GSM directions respectively. However, once the width reaches around 5 di, the relationship gradually approaches the well-known theoretical limit for ion flows, the upstream Alfven speed. Furthermore, we note that there is a reversal in the Hall magnetic field near the current sheet on the positive y-GSM side of the front. This reversal is most likely due to conservation of momentum in the y-GSM direction as the ions accelerate towards the x-GSM direction. This indicates that while the ions are primarily energized in the x-GSM direction by the front, they transfer energy to the electromagnetic fields in the y-GSM direction. The former energy transfer is greater than the latter, but the reversal of the Hall magnetic field drags the frozen-in electrons along with it outside of the front. These simulations should better able researchers to determine the relative location of a satellite crossing a dipolarization front.

  3. Luttinger hydrodynamics of confined one-dimensional Bose gases with dipolar interactions

    International Nuclear Information System (INIS)

    Citro, R; Palo, S De; Orignac, E; Pedri, P; Chiofalo, M-L

    2008-01-01

    Ultracold bosonic and fermionic quantum gases confined to quasi-one-dimensional (1D) geometry are promising candidates for probing fundamental concepts of Luttinger liquid (LL) physics. They can also be exploited for devising applications in quantum information processing and precision measurements. Here, we focus on 1D dipolar Bose gases, where evidence of super-strong coupling behavior has been demonstrated by analyzing the low-energy static and dynamical structures of the fluid at zero temperature by a combined reptation quantum Monte Carlo (RQMC) and bosonization approach. Fingerprints of LL behavior emerge in the whole crossover from the already strongly interacting Tonks-Girardeau at low density to a dipolar density wave regime at high density. We have also shown that a LL framework can be effectively set up and utilized to describe this strongly correlated crossover physics in the case of confined 1D geometries after using the results for the homogeneous system in LL hydrodynamic equations within a local density approximation. This leads to the prediction of observable quantities such as the frequencies of the collective modes of the trapped dipolar gas under the more realistic conditions that could be found in ongoing experiments. The present paper provides a description of the theoretical framework in which the above results have been worked out, making available all the detailed derivations of the hydrodynamic Luttinger equations for the inhomogeneous trapped gas and of the correlation functions for the homogeneous system

  4. Phase transitions in random uniaxial systems with dipolar interactions

    International Nuclear Information System (INIS)

    Schuster, H.G.

    1977-01-01

    The critical behaviour of random uniaxial ferromagnetic (ferroelectric) systems with both short range and long range dipolar interactions is investigated, using the field theoretic renormalization method of Brezin et al. for the free energy above and below transition point Tsub(c). The randomness is due to externally introduced fluctuations in the short range interactions (quenched case) or (and) magneto-elastic coupling to the lattice (annealed case). Strong deviations in the critical behaviour with respect to the pure systems are found. In the quenched case, e.g., the specific heat C and the coefficient f 2 (of M 3 in the equation of state, where M is the magnetization) change from C proportional to abs ln abs t abs abssup(1/3), f 2 proportional to abs ln abs t abs abs sup(1/3), f 2 proportional to abs ln abs t abs abs -1 in the pure system to C = A+- + C+-exp[-4√ 3 106 abs ln abs t abs abs], f 2 proportional to abs ln abs t abs abs sup(-1/2) (where t = (T-Tsub(c)) / Tsub(c) is the reduced temperature and A+-, C+- are constants) in the random situation. (orig.) [de

  5. Focal mechanism of seismic events with a dipolar component

    Directory of Open Access Journals (Sweden)

    R. Console

    1995-06-01

    Full Text Available In this paper we model the geometry of a seismic source as a dislocation occurring on an elemental flat fault in an arbitrary direction with respect to the fault plane. This implies the use of a fourth parameter in addition to the three usual ones describing a simple double couple mechanism. We applied the radiation pattern obtained from the theory to a computer code written for the inversion of the observation data (amplitudes and polarities of the first onsets recorded by a network of stations. It allows the determination of the fault mechanism gener- alized in the above mentioned way. The computer code was verified on synthetic data and then applied to real data recorded by the seismic network operated by the Ente Nazionale per l'Energia Elettrica (ENEL, monitoring the geothermal field of Larderello. The experimental data show that for some events the source mechanism exhibits a significant dipolar component. However, due to the high standard deviation of the amplitude data, F-test applied to the results of the analysis shows that only for two events the confidence level for the general- ized model exceeds 90%.

  6. Asymptotic behavior of local dipolar fields in thin films

    Energy Technology Data Exchange (ETDEWEB)

    Bowden, G.J., E-mail: gjb@phys.soton.ac.uk [School of Physics and Astronomy, University of Southampton, SO17 1BJ (United Kingdom); Stenning, G.B.G., E-mail: Gerrit.vanderlaan@diamond.ac.uk [Magnetic Spectroscopy Group, Diamond Light Source, Didcot OX11 0DE (United Kingdom); Laan, G. van der, E-mail: gavin.stenning@stfc.ac.uk [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom)

    2016-10-15

    A simple method, based on layer by layer direct summation, is used to determine the local dipolar fields in uniformly magnetized thin films. The results show that the dipolar constants converge ~1/m where the number of spins in a square film is given by (2m+1){sup 2}. Dipolar field results for sc, bcc, fcc, and hexagonal lattices are presented and discussed. The results can be used to calculate local dipolar fields in films with either ferromagnetic, antiferromagnetic, spiral, exponential decay behavior, provided the magnetic order only changes normal to the film. Differences between the atomistic (local fields) and macroscopic fields (Maxwellian) are also examined. For the latter, the macro B-field inside the film is uniform and falls to zero sharply outside, in accord with Maxwell boundary conditions. In contrast, the local field for the atomistic point dipole model is highly non-linear inside and falls to zero at about three lattice spacing outside the film. Finally, it is argued that the continuum field B (used by the micromagnetic community) and the local field B{sub loc}(r) (used by the FMR community) will lead to differing values for the overall demagnetization energy. - Highlights: • Point-dipolar fields in uniformly magnetized thin films are characterized by just three numbers. • Maxwell's boundary condition is partially violated in the point-dipole approximation. • Asymptotic values of point dipolar fields in circular monolayers scale as π/r.

  7. The quantum coherence of disordered dipolar bosonic gas

    International Nuclear Information System (INIS)

    Wang Jiguo; Zhang Aixia; Tang Rongan; Gao Jimin; Xue Jukui

    2013-01-01

    We investigate the coherence of correlated dipolar gas in the presence of disorder within a three-site Bose–Hubbard model. We show that the interplay between the on-site interaction, the inter-site dipole–dipole interactions (DDI) and the disorder exhibits new and interesting coherence characters that cannot take place in a non-dipolar system. The ratio between the on-site interaction and DDI plays a dominant role in the phase coherence. The resonance character of the coherence against both disorder and interactions emerges. DDI can enhance the coherence at certain values of the disorder and on-site interaction. In the coherence region, the enhancement of the coherence by disorder in a dipolar system is more significant than that in a non-dipolar system. In particular, the on-site interaction and DDI together can enhance the coherence even in the clean dipolar system (i.e. a dipolar system without disorder). However, without the on-site interaction, disorder, DDI or both together suppress the coherence. Furthermore, the relationship between the coherence and the energy gap and the compressibility of the system is also discussed. (paper)

  8. Dipolar oscillations in a quantum degenerate Fermi-Bose atomic mixture

    International Nuclear Information System (INIS)

    Ferlaino, F; Brecha, R J; Hannaford, P; Riboli, F; Roati, G; Modugno, G; Inguscio, M

    2003-01-01

    We study the dynamics of coupled dipolar oscillations in a Fermi-Bose mixture of 40 K and 87 Rb atoms. This low-energy collective mode is strongly affected by the interspecies interactions. Measurements are performed in the classical and quantum degenerate regimes and reveal the crucial role of the statistical properties of the mixture. At the onset of quantum degeneracy, we investigate the role of Pauli blocking and superfluidity for K and Rb atoms, respectively, resulting in a change in the collisional interactions

  9. Dipolar particles in a double-trap confinement: Response to tilting the dipolar orientation

    Science.gov (United States)

    Bjerlin, J.; Bengtsson, J.; Deuretzbacher, F.; Kristinsdóttir, L. H.; Reimann, S. M.

    2018-02-01

    We analyze the microscopic few-body properties of dipolar particles confined in two parallel quasi-one-dimensional harmonic traps. In particular, we show that an adiabatic rotation of the dipole orientation about the trap axes can drive an initially nonlocalized few-fermion state into a localized state with strong intertrap pairing. With an instant, nonadiabatic rotation, however, localization is inhibited and a highly excited state is reached. This state may be interpreted as the few-body analog of a super-Tonks-Girardeau state, known from one-dimensional systems with contact interactions.

  10. Dipolar-induced interplay between inter-level physics and macroscopic phase transitions in triple-well potentials

    International Nuclear Information System (INIS)

    Zhang Aixia; Xue Jukui

    2012-01-01

    We propose a scheme to reveal the interplay between dipole–dipole interaction (DDI), inter-level coupling and macroscopic phase transitions in dipolar condensates. By considering a macroscopic sample of dipolar bosons in triple-well potentials, DDI-induced coupling between the inter-level physics and the macroscopic phase transitions is presented. When the DDI exceeds certain thresholds, the degeneracy of the two lowest energy levels and the excitation of new eigenstates occur, respectively. Interestingly, these thresholds give the boundaries of various quantum phase transitions. That is, the quantum phase transitions are the consequence of the levels' degeneracy and the new eigenstates' excitation. Furthermore, DDI-induced long-range macroscopic Josephson oscillations are observed and long-range coherent quantum transportation is achieved. Our results give clear proof of the interplay between the multi-level physics and quantum phase transitions, and also provide a way for designing the long-range coherent quantum transportation. (paper)

  11. Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

    International Nuclear Information System (INIS)

    Abedinpour, Saeed H.; Asgari, Reza; Tanatar, B.; Polini, Marco

    2014-01-01

    We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler–Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the “pair amplitude” √(g(r)), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow–Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree–Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation–dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density–density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings. -- Highlights: •We have studied the ground state properties of a strongly correlated two-dimensional fluid of dipolar fermions. •We have calculated the effective inter-particle interaction and the dynamical density–density response function. •We have shown that an undamped zero sound mode exists at any value of the interaction strength

  12. Analysis of NMR spectra of sugar chains of glycolipids by multiple relayed COSY and 2D homonuclear Hartman-Hahn spectroscopy

    International Nuclear Information System (INIS)

    Inagaki, F.; Kohda, D.; Kodama, C.; Suzuki, A.

    1987-01-01

    The authors applied multiple relayed COSY and 2D homonuclear Hartman-Hahn spectroscopy to globoside, a glycolipid purified from human red blood cells. The subspectra corresponding to individual sugar components were extracted even from overlapping proton resonances by taking the cross sections of 2D spectra parallel to the F 2 axis at anomeric proton resonances, so that unambiguous assignments of sugar proton resonances were accomplished. (Auth.)

  13. Couplings

    Science.gov (United States)

    Stošić, Dušan; Auroux, Aline

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

  14. Jet Dipolarity: Top Tagging with Color Flow

    Energy Technology Data Exchange (ETDEWEB)

    Hook, Anson; Jankowiak, Martin; /SLAC /Stanford U., Phys. Dept.; Wacker, Jay G.; /SLAC

    2011-08-12

    A new jet observable, dipolarity, is introduced that can distinguish whether a pair of subjets arises from a color singlet source. This observable is incorporated into the HEPTopTagger and is shown to improve discrimination between top jets and QCD jets for moderate to high p{sub T}. The impressive resolution of the ATLAS and CMS detectors means that a typical QCD jet at the LHC deposits energy in {Omicron}(10-100) calorimeter cells. Such fine-grained calorimetry allows for jets to be studied in much greater detail than previously, with sophisticated versions of current techniques making it possible to measure more than just the bulk properties of jets (e.g. event jet multiplicities or jet masses). One goal of the LHC is to employ these techniques to extend the amount of information available from each jet, allowing for a broader probe of the properties of QCD. The past several years have seen significant progress in developing such jet substructure techniques. A number of general purpose tools have been developed, including: (i) top-tagging algorithms designed for use at both lower and higher p{sub T} as well as (ii) jet grooming techniques such as filtering, pruning, and trimming, which are designed to improve jet mass resolution. Jet substructure techniques have also been studied in the context of specific particle searches, where they have been shown to substantially extend the reach of traditional search techniques in a wide variety of scenarios, including for example boosted Higgses, neutral spin-one resonances, searches for supersymmetry, and many others. Despite these many successes, however, there is every reason to expect that there remains room for refinement of jet substructure techniques.

  15. Cluster Observations of Multiple Dipolarization Fronts

    Science.gov (United States)

    Hwang, Kyoung-Joo; Goldstein, Melvyn L.; Lee, Ensang; Pickett, Jolene S.

    2011-01-01

    We present Cluster observations of a series of dipolarization fronts (DF 1 to 6) at the central current sheet in Earth's magnetotail. The velocities of fast earthward flow following behind each DF 1-3, are comparable to the Alfven velocity, indicating that the flow bursts might have been generated by bursty reconnection that occurred tailward of the spacecraft. Based on multi-spacecraft timing analysis, DF normals are found to propagate mainly earthward at $160-335$ km/s with a thickness of 900-1500 km, which corresponds to the ion inertial length or gyroradius scale. Each DF is followed by significant fluctuations in the $x$ and $y$ components of the magnetic field whose peaks are found 1-2 minutes after the DF passage. These $(B_{x},B_{y} )$-fluctuations propagate dawnward (mainly) and earthward. Strongly enhanced field-aligned beams are observed coincidently with $(B_{x},B_{y})$ fluctuations, while an enhancement of cross-tail currents is associated with the DFs. From the observed pressure imbalance and flux-tube entropy changes between the two regions separated by the DF, we speculate that interchange instability destabilizes the DFs and causes the deformation of the mid-tail magnetic topology. This process generates significant field-aligned currents, and might power the auroral brightening in the ionosphere. However, this event is neither associated with the main substorm auroral breakup nor the poleward expansion, which might indicate that the observed multiple DFs have been dissipated before they reach the inner plasma sheet boundary.

  16. Understanding the anisotropic ion distributions within magnetotail dipolarizing flux bundles

    Science.gov (United States)

    Zhou, X.; Runov, A.; Angelopoulos, V.; Birn, J.

    2017-12-01

    Dipolarizing flux bundles (DFBs), earthward-propagating structures with enhanced northward magnetic field (Bz) component, are usually believed to carry a different plasma population from that in the ambient magnetotail plasma sheet. The ion distribution functions within the DFB, however, are recently found to be largely controlled by the ion adiabaticity parameter κ in the ambient plasma sheet outside the DFBs. According to these observations, the ambient κ values of 2-3 usually correspond to a strong perpendicular anisotropy of suprathermal ions within the DFBs, whereas for lower κ values the ions inside the DFBs become more isotropic. Here we utilize a simple, test-particle model to explore the nature of the anisotropy and its dependence on the ambient κ values. We find that the ion anisotropy originates from successive ion reflections and reentries to the DFBs, during which the ions can be consecutively accelerated in the perpendicular direction by the DFB-carried electric field. This acceleration process may be interrupted, however, when the magnetic field lines are highly curved in the ambient plasma sheet. In this case, the ion trajectories are most stochastic outside the DFB region, which makes the reflected ions less likely to return to the DFBs for another cycle of acceleration; as a consequence, the perpendicular ion anisotropy does not appear. Given that the DFB ions are a free energy source for instabilities when they are injected towards Earth, our simple model (that reproduces most observational features on the anisotropic DFB ion distributions) may shed new lights on the coupling process between the magnetotail and the inner magneosphere.

  17. Magnetization behavior of ferrofluids with cryogenically imaged dipolar chains

    International Nuclear Information System (INIS)

    Klokkenburg, M; Erne, B H; Mendelev, V; Ivanov, A O

    2008-01-01

    Theories and simulations have demonstrated that field-induced dipolar chains affect the static magnetic properties of ferrofluids. Experimental verification, however, has been complicated by the high polydispersity of the available ferrofluids, and the morphology of the dipolar chains was left to the imagination. We now present the concentration- and field-dependent magnetization of particularly well-defined ferrofluids, with a low polydispersity, three different average particle sizes, and with dipolar chains that were imaged with and without magnetic field using cryogenic transmission electron microscopy. At low concentrations, the magnetization curves obey the Langevin equation for noninteracting dipoles. Magnetization curves for the largest particles strongly deviate from the Langevin equation but quantitatively agree with a recently developed mean-field model that incorporates the field-dependent formation and alignment of flexible dipolar chains. The combination of magnetic results and in situ electron microscopy images provides original new evidence for the effect of dipolar chains on the field-dependent magnetization of ferrofluids

  18. Scissors Mode of Dipolar Quantum Droplets of Dysprosium Atoms

    Science.gov (United States)

    Ferrier-Barbut, Igor; Wenzel, Matthias; Böttcher, Fabian; Langen, Tim; Isoard, Mathieu; Stringari, Sandro; Pfau, Tilman

    2018-04-01

    We report on the observation of the scissors mode of a single dipolar quantum droplet. The existence of this mode is due to the breaking of the rotational symmetry by the dipole-dipole interaction, which is fixed along an external homogeneous magnetic field. By modulating the orientation of this magnetic field, we introduce a new spectroscopic technique for studying dipolar quantum droplets. This provides a precise probe for interactions in the system, allowing us to extract a background scattering length for 164Dy of 69 (4 )a0 . Our results establish an analogy between quantum droplets and atomic nuclei, where the existence of the scissors mode is also only due to internal interactions. They further open the possibility to explore physics beyond the available theoretical models for strongly dipolar quantum gases.

  19. Nonlocal and nonlinear electrostatics of a dipolar Coulomb fluid.

    Science.gov (United States)

    Sahin, Buyukdagli; Ralf, Blossey

    2014-07-16

    We study a model Coulomb fluid consisting of dipolar solvent molecules of finite extent which generalizes the point-like dipolar Poisson-Boltzmann model (DPB) previously introduced by Coalson and Duncan (1996 J. Phys. Chem. 100 2612) and Abrashkin et al (2007 Phys. Rev. Lett. 99 077801). We formulate a nonlocal Poisson-Boltzmann equation (NLPB) and study both linear and nonlinear dielectric response in this model for the case of a single plane geometry. Our results shed light on the relevance of nonlocal versus nonlinear effects in continuum models of material electrostatics.

  20. Harmonically trapped dipolar fermions in a two-dimensional square lattice

    DEFF Research Database (Denmark)

    Larsen, Anne-Louise G.; Bruun, Georg

    2012-01-01

    We consider dipolar fermions in a two-dimensional square lattice and a harmonic trapping potential. The anisotropy of the dipolar interaction combined with the lattice leads to transitions between phases with density order of different symmetries. We show that the attractive part of the dipolar...

  1. Automated assignment and 3D structure calculations using combinations of 2D homonuclear and 3D heteronuclear NOESY spectra

    International Nuclear Information System (INIS)

    Oezguen, Numan; Adamian, Larisa; Xu Yuan; Rajarathnam, Krishna; Braun, Werner

    2002-01-01

    The NOAH/DIAMOD suite uses feedback filtering and self-correcting distance geometry to generate 3D structures from unassigned NOESY spectra. In this study we determined the minimum set of experiments needed to generate a high quality structure bundle. Different combinations of 3D 15 N-edited, 13 C-edited HSQC-NOESY and 2D homonuclear 1 H- 1 H NOESY spectra of the 77 amino acid protein, myeloid progenitor inhibitory factor-1 (MPIF-1) were used as input for NOAH/DIAMOD calculations. The quality of the assignments of NOESY cross peaks and the accuracy of the automatically generated 3D structures were compared to those obtained with a conventional manual procedure. Combining data from two types of experiments synergistically increased the number of peaks assigned unambiguously in both individual spectra. As a general trend for the accuracy of the structures we observed structural variations in the backbone fold of the final structures of about 2 A for single spectral data, of 1 A to 1.5 A for double spectral data, and of 0.6 A for triple spectral data sets. The quality of the assignments and 3D structures from the optimal data using all three spectra were similar to those obtained from traditional assignment methods with structural variations within the bundle of 0.6 A and 1.3 A for backbone and heavy atoms, respectively. Almost all constraints (97%) of the automatic NOESY cross peak assignments were cross compatible with the structures from the conventional manual assignment procedure, and an even larger proportion (99%) of the manually derived constraints were compatible with the automatically determined 3D structures. The two mean structures determined by both methods differed only by 1.3 A rmsd for the backbone atoms in the well-defined regions of the protein. Thus NOAD/DIAMOD analysis of spectra from labeled proteins provides a reliable method for high throughput analysis of genomic targets

  2. Synthesis of 1,4-naphthoquinone derivatives using 1,3-dipolar cycloaddition and Sonogashira reactions

    Directory of Open Access Journals (Sweden)

    Wilson Silva do Nascimento

    2010-04-01

    Full Text Available Naphthoquinones are known according to their important bio-activities, such as their antitumoral and topoisomerase inhibition properties. From 2-azido (3 or 2,3-diacetylene-1,4-naphthoquinone (4 it was possible to obtain triazole derivatives (naphthoquinonic. This work describes the synthesis of two novel molecules, with triazole groups linked to 1,4-naphthoquinone using the 1,3-dipolar cycloaddition and Sonogashira reactions. The synthetic strategy followed two routes (Scheme 1. First, we synthesized the 2-bromo-1,4-naphthoquinone (2, yield 98% by using Br2 and CH3CO2H, and then used it to obtain 2-azido-1,4-naphthoquinone (3, yield 62% from compound 1, along with ethanolic solution (reflux and NaN3. Finally, we prepared 1,2,3-triazole compounds (4a, b by 1,3-dipolar cycloaddition, involving compound (3 and terminal acetylenes (phenylacetylene, a and glycoside (b using Cu(OAc2 and ascorbate, under argon atmosphere. During the second step, 2,3-dibromo-1,4-naphthoquinone was prepared using Br2/CH2Cl2 at room temperature. From compound (5 it was possible to synthesize (6, catalyzed by Pd(PPh32Cl2/CuI/Et3N, under argon atmosphere, in 40% yield. The 1,3-dipolar cycloaddition reactions involving 2-azido-1,4-naphthoquinone (3 and alkynes (a, yield 23% and b, yield 30% were conducted using the solvent system, (1:1 terc-BuOH/H2O/r.t/ 20 mol% of Cu(OAc2 and sodium ascorbate, under stirring during 24 hours. The reaction involving 2,3-dibromo-1,4-naphthoquinone (5, yield 65% and phenylacetylene was prepared using the solvent mixture (2:1 DMSO/CHCl3 and catalytic amount of CuI/Pd(PPh32Cl2. The final products were characterized by elemental analysis and spectrometric techniques (IR, NMR 1H and 13C. Two novel triazole compounds were synthesized from naphthoquinones by 1,3-dipolar cycloaddition from suitable 1,4-naphthoquinones obtained by Sonogashira couplings.

  3. Electron dynamics during substorm dipolarization in Mercury's magnetosphere

    Directory of Open Access Journals (Sweden)

    D. C. Delcourt

    2005-11-01

    Full Text Available We examine the nonlinear dynamics of electrons during the expansion phase of substorms at Mercury using test particle simulations. A simple model of magnetic field line dipolarization is designed by rescaling a magnetic field model of the Earth's magnetosphere. The results of the simulations demonstrate that electrons may be subjected to significant energization on the time scale (several seconds of the magnetic field reconfiguration. In a similar manner to ions in the near-Earth's magnetosphere, it is shown that low-energy (up to several tens of eV electrons may not conserve the second adiabatic invariant during dipolarization, which leads to clusters of bouncing particles in the innermost magnetotail. On the other hand, it is found that, because of the stretching of the magnetic field lines, high-energy electrons (several keVs and above do not behave adiabatically and possibly experience meandering (Speiser-type motion around the midplane. We show that dipolarization of the magnetic field lines may be responsible for significant, though transient, (a few seconds precipitation of energetic (several keVs electrons onto the planet's surface. Prominent injections of energetic trapped electrons toward the planet are also obtained as a result of dipolarization. These injections, however, do not exhibit short-lived temporal modulations, as observed by Mariner-10, which thus appear to follow from a different mechanism than a simple convection surge.

  4. Functionalization of Graphene via 1,3-Dipolar Cycloaddition

    NARCIS (Netherlands)

    Quintana, Mildred; Spyrou, Konstantinos; Grzelczak, Marek; Browne, Wesley R.; Rudolf, Petra; Prato, Maurizio

    Few-layer graphenes (FLG) produced by dispersion and exfoliation of graphite in N-methylpyrrolidone were successfully functionalized using the 1,3-dipolar cycloaddition of azomethine ylides. The amino functional groups attached to graphene sheets were quantified by the Kaiser test. These amino

  5. Dipolar fluid-wall systems. Beyond the image potential

    International Nuclear Information System (INIS)

    Boudh-hir, M.E.

    1989-02-01

    The case of dipolar fluid in front of an ideal wall is examined. The surface-fluid system is introduced as a limit case of a binary mixture Using the diagrammatic development, the expansion of the one-particle distribution function is given. 16 refs

  6. Dipolar local field in homogeneously magnetized quasi-two-dimensional crystals

    International Nuclear Information System (INIS)

    Leon, H; Estevez-Rams, E

    2009-01-01

    A formalism to calculate the dipolar local field in homogeneously magnetized quasi-two-dimensional (Q2D) crystals is comprehensively presented. Two fundamental tests for this formalism are accomplished: the transition from the Q2D quantities to the corresponding 3D ones; and the recovering of the macroscopic quantities of the 3D continuum theory. The additive separation between lattice and shape contributions to the local field allows an unambiguous interpretation of the respective effects. Calculated demagnetization tensors for square and circular lateral geometries of dipole layers show that for a single crystal layer an extremely thin film, but still with a finite thickness, is a better physical representation than a strictly 2D plane. Distinct close-packed structures are simulated and calculations of the local field at the nodes of the stacked 2D lattices allow one to establish the number of significantly coupled dipole layers, depending on the ratio between the interlayer distance and the 2D lattice constant. The conclusions drawn are of interest for the study of the dipolar interaction in magnetic ultrathin films and other nanostructured materials, where magnetic nanoparticles are embedded in non-magnetic matrices.

  7. Effect of simple solutes on the long range dipolar correlations in liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Baul, Upayan, E-mail: upayanb@imsc.res.in; Anishetty, Ramesh, E-mail: ramesha@imsc.res.in; Vemparala, Satyavani, E-mail: vani@imsc.res.in [The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113 (India); Kanth, J. Maruthi Pradeep, E-mail: jmpkanth@gmail.com [Vectra LLC, Mount Road, Chennai 600006 (India)

    2016-03-14

    Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions. Recent numerical and experimental results have suggested that such a description of order or structure in liquid water is incomplete and there exist considerably longer ranged orientational correlations in water that can be studied through dipolar correlations. In this study, using large scale classical, atomistic molecular dynamics simulations using TIP4P-Ew and TIP3P models of water, we show that salts such as sodium chloride (NaCl), potassium chloride (KCl), caesium chloride (CsCl), and magnesium chloride (MgCl{sub 2}) have a long range effect on the dipolar correlations, which cannot be explained by the notion of structure making and breaking by dissolved ions. Observed effects are explained through orientational stratification of water molecules around ions and their long range coupling to the global hydrogen bond network by virtue of the sum rule for water. The observations for single hydrophilic solutes are contrasted with the same for a single methane (CH{sub 4}) molecule. We observe that even a single small hydrophobe can result in enhancement of long range orientational correlations in liquid water, contrary to the case of dissolved ions, which have been observed to have a reducing effect. The observations from this study are discussed in the context of hydrophobic effect.

  8. Acceleration and Precipitation of Electrons during Substorm Dipolarization Events

    Science.gov (United States)

    Ashour-Abdalla, Maha; Richard, Robert; Donovan, Eric; Zhou, Meng; Goldstein, Mevlyn; El-Alaoui, Mostafa; Schriver, David; Walker, Raymond

    Observations and modeling have established that during geomagnetically disturbed times the Earth’s magnetotail goes through large scale changes that result in enhanced electron precipitation into the ionosphere and earthward propagating dipolarization fronts that contain highly energized plasma. Such events originate near reconnection regions in the magnetotail at about 20-30 R_E down tail. As the dipolarization fronts propagate earthward, strong acceleration of both ions and electrons occurs due to a combination of non-adiabatic and adiabatic (betatron and Fermi) acceleration, with particle energies reaching up to 100 keV within the dipolarization front. One consequence of the plasma transport that occurs during these events is direct electron precipitation into the ionosphere, which form auroral precipitation. Using global kinetic simulations along with spacecraft and ground-based data, causes of electron precipitation are determined during well-documented, disturbed events. It is found that precipitation of keV electrons in the pre-midnight sector at latitudes around 70(°) occur due to two distinct physical processes: (1) higher latitude (≥72(°) ) precipitation due to electrons that undergo relatively rapid non-adiabatic pitch angle scattering into the loss cone just earthward of the reconnection region at around 20 R_E downtail, and (2) lower latitude (≤72(°) ) precipitation due to electrons that are more gradually accelerated primarily parallel to the geomagnetic field during its bounce motion by Fermi acceleration and enter the loss cone much closer to the Earth at 10-15 R_E, somewhat tailward of the dipolarization front. As the dipolarization fronts propagate earthward, the electron precipitation shifts to lower latitudes and occurs over a wider region in the auroral ionosphere. Our results show a direct connection between electron acceleration in the magnetotail and electron precipitation in the ionosphere during disturbed times. The electron

  9. Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems.

    Science.gov (United States)

    Chang, Zhiwei; Halle, Bertil

    2016-02-28

    In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. We have embarked on a systematic program to develop, from the stochastic Liouville equation, a general and rigorous theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole coupling strengths, and Larmor frequencies. Here, we present a general theoretical framework applicable to spin systems of arbitrary size with symmetric or asymmetric exchange. So far, the dipolar EMOR theory is only available for a two-spin system with symmetric exchange. Asymmetric exchange, when the spin system is fragmented by the exchange, introduces new and unexpected phenomena. Notably, the anisotropic dipole couplings of non-exchanging spins break the axial symmetry in spin Liouville space, thereby opening up new relaxation channels in the locally anisotropic sites, including longitudinal-transverse cross relaxation. Such cross-mode relaxation operates only at low fields; at higher fields it becomes nonsecular, leading to an unusual inverted relaxation dispersion that splits the extreme-narrowing regime into two sub-regimes. The general dipolar EMOR theory is illustrated here by a detailed analysis of the asymmetric two-spin case, for which we present relaxation dispersion profiles over a wide range of conditions as well as analytical results for integral relaxation rates and time-dependent spin modes in the zero-field and motional-narrowing regimes. The general theoretical framework presented here will enable a quantitative analysis of frequency-dependent water-proton longitudinal relaxation in model systems with immobilized macromolecules and, ultimately, will provide a rigorous link between relaxation-based magnetic resonance image contrast and molecular parameters.

  10. Nuclear magnetic relaxation by the dipolar EMOR mechanism: Multi-spin systems

    Science.gov (United States)

    Chang, Zhiwei; Halle, Bertil

    2017-08-01

    In aqueous systems with immobilized macromolecules, including biological tissues, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have previously developed a rigorous EMOR relaxation theory for dipole-coupled two-spin and three-spin systems. Here, we extend the stochastic Liouville theory to four-spin systems and use these exact results as a guide for constructing an approximate multi-spin theory, valid for spin systems of arbitrary size. This so-called generalized stochastic Redfield equation (GSRE) theory includes the effects of longitudinal-transverse cross-mode relaxation, which gives rise to an inverted step in the relaxation dispersion profile, and coherent spin mode transfer among solid-like spins, which may be regarded as generalized spin diffusion. The GSRE theory is compared to an existing theory, based on the extended Solomon equations, which does not incorporate these phenomena. Relaxation dispersion profiles are computed from the GSRE theory for systems of up to 16 protons, taken from protein crystal structures. These profiles span the range from the motional narrowing limit, where the coherent mode transfer plays a major role, to the ultra-slow motion limit, where the zero-field rate is closely related to the strong-collision limit of the dipolar relaxation rate. Although a quantitative analysis of experimental data is beyond the scope of this work, it is clear from the magnitude of the predicted relaxation rate and the shape of the relaxation dispersion profile that the dipolar EMOR mechanism is the principal cause of water-1H low-field longitudinal relaxation in aqueous systems of immobilized macromolecules, including soft biological tissues. The relaxation theory developed here therefore provides a basis for molecular-level interpretation of endogenous soft

  11. Quantum phases of dipolar rotors on two-dimensional lattices.

    Science.gov (United States)

    Abolins, B P; Zillich, R E; Whaley, K B

    2018-03-14

    The quantum phase transitions of dipoles confined to the vertices of two-dimensional lattices of square and triangular geometry is studied using path integral ground state quantum Monte Carlo. We analyze the phase diagram as a function of the strength of both the dipolar interaction and a transverse electric field. The study reveals the existence of a class of orientational phases of quantum dipolar rotors whose properties are determined by the ratios between the strength of the anisotropic dipole-dipole interaction, the strength of the applied transverse field, and the rotational constant. For the triangular lattice, the generic orientationally disordered phase found at zero and weak values of both dipolar interaction strength and applied field is found to show a transition to a phase characterized by net polarization in the lattice plane as the strength of the dipole-dipole interaction is increased, independent of the strength of the applied transverse field, in addition to the expected transition to a transverse polarized phase as the electric field strength increases. The square lattice is also found to exhibit a transition from a disordered phase to an ordered phase as the dipole-dipole interaction strength is increased, as well as the expected transition to a transverse polarized phase as the electric field strength increases. In contrast to the situation with a triangular lattice, on square lattices, the ordered phase at high dipole-dipole interaction strength possesses a striped ordering. The properties of these quantum dipolar rotor phases are dominated by the anisotropy of the interaction and provide useful models for developing quantum phases beyond the well-known paradigms of spin Hamiltonian models, implementing in particular a novel physical realization of a quantum rotor-like Hamiltonian that possesses an anisotropic long range interaction.

  12. Quantum phases of dipolar rotors on two-dimensional lattices

    Science.gov (United States)

    Abolins, B. P.; Zillich, R. E.; Whaley, K. B.

    2018-03-01

    The quantum phase transitions of dipoles confined to the vertices of two-dimensional lattices of square and triangular geometry is studied using path integral ground state quantum Monte Carlo. We analyze the phase diagram as a function of the strength of both the dipolar interaction and a transverse electric field. The study reveals the existence of a class of orientational phases of quantum dipolar rotors whose properties are determined by the ratios between the strength of the anisotropic dipole-dipole interaction, the strength of the applied transverse field, and the rotational constant. For the triangular lattice, the generic orientationally disordered phase found at zero and weak values of both dipolar interaction strength and applied field is found to show a transition to a phase characterized by net polarization in the lattice plane as the strength of the dipole-dipole interaction is increased, independent of the strength of the applied transverse field, in addition to the expected transition to a transverse polarized phase as the electric field strength increases. The square lattice is also found to exhibit a transition from a disordered phase to an ordered phase as the dipole-dipole interaction strength is increased, as well as the expected transition to a transverse polarized phase as the electric field strength increases. In contrast to the situation with a triangular lattice, on square lattices, the ordered phase at high dipole-dipole interaction strength possesses a striped ordering. The properties of these quantum dipolar rotor phases are dominated by the anisotropy of the interaction and provide useful models for developing quantum phases beyond the well-known paradigms of spin Hamiltonian models, implementing in particular a novel physical realization of a quantum rotor-like Hamiltonian that possesses an anisotropic long range interaction.

  13. Two-dimensional NMR spectroscopy: correlated, homonuclear-correlated, and nuclear Overhauser spectroscopy. January 1975-December 1988 (Citations from the INSPEC: Information Services for the Physics and Engineering Communities data base). Report for January 1975-December 1988

    International Nuclear Information System (INIS)

    1988-12-01

    This bibliography contains citations concerning the enhanced analytical techniques of two-dimensional nuclear magnetic resonance (2-D NMR). Applications to specific molecules, biomolecules, and compounds as well as comparisons of three 2-D NMR techniques: correlated spectroscopy (COSY), nuclear Overhauser (NOSEY), and homonuclear-correlated spectroscopy (HOMCOR). (Contains 190 citations fully indexed and including a title list.)

  14. Propagation of Dipolarization Signatures Observed by the Van Allen Probes in the Inner Magnetosphere

    Science.gov (United States)

    Ohtani, S.; Motoba, T.; Gkioulidou, M.; Takahashi, K.; Kletzing, C.

    2017-12-01

    Dipolarization, the change of the local magnetic field from a stretched to a more dipolar configuration, is one of the most fundamental processes of magnetospheric physics. It is especially critical for the dynamics of the inner magnetosphere. The associated electric field accelerates ions and electrons and transports them closer to Earth. Such injected ions intensify the ring current, and electrons constitute the seed population of the radiation belt. Those ions and electrons may also excite various waves that play important roles in the enhancement and loss of the radiation belt electrons. Despite such critical consequences, the general characteristics of dipolarization in the inner magnetosphere still remain to be understood. The Van Allen Probes mission, which consists of two probes that orbit through the equatorial region of the inner magnetosphere, provides an ideal opportunity to examine dipolarization signatures in the core of the ring current. In the present study we investigate the spatial expansion of the dipolarization region by examining the correlation and time delay of dipolarization signatures observed by the two probes. Whereas in general it requires three-point measurements to deduce the propagation of a signal on a certain plane, we statically examined the observed time delays and found that dipolarization signatures tend to propagate radially inward as well as away from midnight. In this paper we address the propagation of dipolarization signatures quantitatively and compare with the propagation velocities reported previously based on observations made farther away from Earth. We also discuss how often and under what conditions the dipolarization region expands.

  15. Laser induced magnetization switching in a TbFeCo ferrimagnetic thin film: discerning the impact of dipolar fields, laser heating and laser helicity by XPEEM

    International Nuclear Information System (INIS)

    Gierster, L.; Ünal, A.A.; Pape, L.; Radu, F.; Kronast, F.

    2015-01-01

    We investigate laser induced magnetic switching in a ferrimagnetic thin film of Tb_2_2Fe_6_9Co_9 by PEEM. Using a small laser beam with a spot size of 3–5 µm in diameter in combination with high resolution magnetic soft X-ray microscopy we are able to discriminate between different effects that govern the microscopic switching process, namely the influence of the laser heating, of the helicity dependent momentum transfer, and of the dipolar coupling. Applying a sequence of femtosecond laser pulses to a previously saturated TbFeCo film leads to the formation of ring shaped magnetic structures in which all three effects can be observed. Laser helicity assisted switching is only observed in a narrow region within the Gaussian profile of the laser spot. Whereas in the center of the laser spot we find clear evidence for thermal demagnetization and in the outermost areas magnetic switching is determined by dipolar coupling with the surrounding film. Our findings demonstrate that by reducing the laser spot size the influence of dipolar coupling on laser induced switching is becoming increasingly important. - Highlights: • With a new PEEM sample holder a laser spot size of 3–5 µm in diameter is reached. • Spatial resolved imaging of laser induced magnetization reversal. • A single femtosecond laser pulse leads to a multi-domain state in TbFeCo. • A pulse sequence results in a ring-shaped magnetic pattern caused by dipolar fields. • Laser helicity dependent effects appear only in a narrow fluence region.

  16. Broadband cross-polarization-based heteronuclear dipolar recoupling for structural and dynamic NMR studies of rigid and soft solids

    International Nuclear Information System (INIS)

    Kharkov, B. B.; Chizhik, V. I.; Dvinskikh, S. V.

    2016-01-01

    Dipolar recoupling is an essential part of current solid-state NMR methodology for probing atomic-resolution structure and dynamics in solids and soft matter. Recently described magic-echo amplitude- and phase-modulated cross-polarization heteronuclear recoupling strategy aims at efficient and robust recoupling in the entire range of coupling constants both in rigid and highly dynamic molecules. In the present study, the properties of this recoupling technique are investigated by theoretical analysis, spin-dynamics simulation, and experimentally. The resonance conditions and the efficiency of suppressing the rf field errors are examined and compared to those for other recoupling sequences based on similar principles. The experimental data obtained in a variety of rigid and soft solids illustrate the scope of the method and corroborate the results of analytical and numerical calculations. The technique benefits from the dipolar resolution over a wider range of coupling constants compared to that in other state-of-the-art methods and thus is advantageous in studies of complex solids with a broad range of dynamic processes and molecular mobility degrees

  17. The effect of dipolar interaction on the magnetic isotope effect

    DEFF Research Database (Denmark)

    Mojaza, Matin; Pedersen, Jørgen Boiden; Lukzen, Nikita

    2010-01-01

    A multi-channel kinetic description is used to study the magnetic isotope effect (MIE) in zero magnetic field. The maximal isotope effect is equal to the number of channels, two for the hyperfine interaction but four for the electron spin dipole–dipole interaction of the intermediate radical pair....... Quantum mechanical calculations agree with these conclusion and show that large MIE may be obtained even in the presence of a strong exchange interaction. The observed magnesium isotope effect on the rate of enzymatic synthesis of adenosine triphosphate (ATP) is approximately 3 implying that the dipolar...... interaction is responsible for the effect. Our calculations provide support for the proposed mechanism....

  18. Magnetic holes in the dipolarized magnetotail: ion and electron anisotropies

    Science.gov (United States)

    Shustov, P.; Artemyev, A.; Zhang, X. J.; Yushkov, E.; Petrukovich, A. A.

    2017-12-01

    We conduct statistics on magnetic holes observed by THEMIS spacecraft in the near-Earth magnetotail. Groups of holes are detected after dipolarizations in the quiet, equatorial plasma sheet. Magnetic holes are characterized by significant magnetic field depressions (up to 50%) and strong electron currents ( 10-50 nA/m2), with spatial scales much smaller than the ion gyroradius. These magnetic holes are populated by hot (>10 keV), transversely anisotropic electrons supporting the pressure balance. We present statistical properties of these sub-ion scale magnetic holes and discuss possible mechanisms on the hole formation.

  19. Dipolar interaction in arrays of magnetic nanotubes

    International Nuclear Information System (INIS)

    Velázquez-Galván, Y; Martínez-Huerta, J M; Encinas, A; De La Torre Medina, J; Danlée, Y; Piraux, L

    2014-01-01

    The dipolar interaction field in arrays of nickel nanotubes has been investigated on the basis of expressions derived from the effective demagnetizing field of the assembly as well as magnetometry measurements. The model incorporates explicitly the wall thickness and aspect ratio, as well as the spatial order of the nanotubes. The model and experiment show that the interaction field in nanotubes is smaller than that in solid nanowires due to the packing fraction reduction in tubes related to their inner cavity. Finally, good agreement between the model and experiment is found for the variation of the interaction field as a function of the tube wall thickness. (paper)

  20. Spreading dynamics of 2D dipolar Langmuir monolayer phases.

    Science.gov (United States)

    Heinig, P; Wurlitzer, S; Fischer, Th M

    2004-07-01

    We study the spreading of a liquid 2D dipolar droplet in a Langmuir monolayer. Interfacial tensions (line tensions) and microscopic contact angles depend on the scale on which they are probed and obey a scaling law. Assuming rapid equilibration of the microscopic contact angle and ideal slippage of the 2D solid/liquid and solid/gas boundary, the driving force of spreading is merely expressed by the shape-dependent long-range interaction integrals. We obtain good agreement between experiment and numerical simulations using this theory.

  1. Visualization of magnetic dipolar interaction based on scanning transmission X-ray microscopy

    International Nuclear Information System (INIS)

    Ohtori, Hiroyuki; Iwano, Kaoru; Takeichi, Yasuo; Ono, Kanta; Mitsumata, Chiharu; Yano, Masao; Kato, Akira; Miyamoto, Noritaka; Shoji, Tetsuya; Manabe, Akira

    2014-01-01

    Using scanning transmission X-ray microscopy (STXM), in this report we visualized the magnetic dipolar interactions in nanocrystalline Nd-Fe-B magnets and imaged their magnetization distributions at various applied fields. We calculated the magnetic dipolar interaction by analyzing the interaction between the magnetization at each point and those at the other points on the STXM image.

  2. Evidence for several dipolar quasi-invariants in liquid crystals

    Science.gov (United States)

    Bonin, C. J.; González, C. E.; Segnorile, H. H.; Zamar, R. C.

    2013-10-01

    The quasi-equilibrium states of an observed quantum system involve as many constants of motion as the dimension of the operator basis which spans the blocks of all the degenerate eigenvalues of the Hamiltonian that drives the system dynamics, however, the possibility of observing such quasi-invariants in solid-like spin systems in Nuclear Magnetic Resonance (NMR) is not a strictly exact prediction. The aim of this work is to provide experimental evidence of several quasi-invariants, in the proton NMR of small spin clusters, like nematic liquid crystal molecules, in which the use of thermodynamic arguments is not justified. We explore the spin states prepared with the Jeener-Broekaert pulse sequence by analyzing the time-domain signals yielded by this sequence as a function of the preparation times, in a variety of dipolar networks, solids, and liquid crystals. We observe that the signals can be explained with two dipolar quasi-invariants only within a range of short preparation times, however at longer times liquid crystal signals show an echo-like behaviour whose description requires assuming more quasi-invariants. We study the multiple quantum coherence content of such signals on a basis orthogonal to the z-basis and see that such states involve a significant number of correlated spins. Therefore, we show that the NMR signals within the whole preparation time-scale can only be reconstructed by assuming the occurrence of multiple quasi-invariants which we experimentally isolate.

  3. Observation of roton mode population in a dipolar quantum gas

    Science.gov (United States)

    Chomaz, L.; van Bijnen, R. M. W.; Petter, D.; Faraoni, G.; Baier, S.; Becher, J. H.; Mark, M. J.; Wächtler, F.; Santos, L.; Ferlaino, F.

    2018-05-01

    The concept of a roton, a special kind of elementary excitation forming a minimum of energy at finite momentum, has been essential for the understanding of the properties of superfluid 4He (ref. 1). In quantum liquids, rotons arise from the strong interparticle interactions, whose microscopic description remains debated2. In the realm of highly controllable quantum gases, a roton mode has been predicted to emerge due to magnetic dipole-dipole interactions despite their weakly interacting character3. This prospect has raised considerable interest4-12; yet roton modes in dipolar quantum gases have remained elusive to observations. Here we report experimental and theoretical studies of the momentum distribution in Bose-Einstein condensates of highly magnetic erbium atoms, revealing the existence of the long-sought roton mode. Following an interaction quench, the roton mode manifests itself with the appearance of symmetric peaks at well-defined finite momentum. The roton momentum follows the predicted geometrical scaling with the inverse of the confinement length along the magnetization axis. From the growth of the roton population, we probe the roton softening of the excitation spectrum in time and extract the corresponding imaginary roton gap. Our results provide a further step in the quest towards supersolidity in dipolar quantum gases13.

  4. When Ethyl Isocyanoacetate Meets Isatins: A 1,3-Dipolar/Inverse 1,3-Dipolar/Olefination Reaction for Access to 3-Ylideneoxindoles.

    Science.gov (United States)

    Yuan, Wen-Kui; Cui, Tao; Liu, Wei; Wen, Li-Rong; Li, Ming

    2018-03-16

    A new CuI/1,10-phen-catalyzed reaction for the synthesis of 3-ylideneoxindoles from readily available isatins and ethyl isocyanoacetate, in which ethyl isocyanoacetate acts as a latent two-carbon donor like the Wittig reagent, is reported. A tandem procedure including 1,3-dipolar cycloaddition/inverse 1,3-dipolar ring opening/olefination allows the preparation of 3-ylideneoxindoles with broad functional group tolerance.

  5. Quantum Fluctuations in Quasi-One-Dimensional Dipolar Bose-Einstein Condensates.

    Science.gov (United States)

    Edler, D; Mishra, C; Wächtler, F; Nath, R; Sinha, S; Santos, L

    2017-08-04

    Recent experiments have revealed that beyond-mean-field corrections are much more relevant in weakly interacting dipolar condensates than in their nondipolar counterparts. We show that in quasi-one-dimensional geometries quantum corrections in dipolar and nondipolar condensates are strikingly different due to the peculiar momentum dependence of the dipolar interactions. The energy correction of the condensate presents not only a modified density dependence, but it may even change from attractive to repulsive at a critical density due to the surprising role played by the transversal directions. The anomalous quantum correction translates into a strongly modified physics for quantum-stabilized droplets and dipolar solitons. Moreover, and for similar reasons, quantum corrections of three-body correlations, and hence of three-body losses, are strongly modified by the dipolar interactions. This intriguing physics can be readily probed in current experiments with magnetic atoms.

  6. Layers of Cold Dipolar Molecules in the Harmonic Approximation

    DEFF Research Database (Denmark)

    R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.

    2012-01-01

    We consider the N-body problem in a layered geometry containing cold polar molecules with dipole moments that are polarized perpendicular to the layers. A harmonic approximation is used to simplify the hamiltonian and bound state properties of the two-body inter-layer dipolar potential are used...... to adjust this effective interaction. To model the intra-layer repulsion of the polar molecules, we introduce a repulsive inter-molecule potential that can be parametrically varied. Single chains containing one molecule in each layer, as well as multi-chain structures in many layers are discussed...... and their energies and radii determined. We extract the normal modes of the various systems as measures of their volatility and eventually of instability, and compare our findings to the excitations in crystals. We find modes that can be classified as either chains vibrating in phase or as layers vibrating against...

  7. Electron Jet Detected by MMS at Dipolarization Front

    Science.gov (United States)

    Liu, C. M.; Fu, H. S.; Vaivads, A.; Khotyaintsev, Y. V.; Gershman, D. J.; Hwang, K.-J.; Chen, Z. Z.; Cao, D.; Xu, Y.; Yang, J.; Peng, F. Z.; Huang, S. Y.; Burch, J. L.; Giles, B. L.; Ergun, R. E.; Russell, C. T.; Lindqvist, P.-A.; Le Contel, O.

    2018-01-01

    Using MMS high-resolution measurements, we present the first observation of fast electron jet (Ve 2,000 km/s) at a dipolarization front (DF) in the magnetotail plasma sheet. This jet, with scale comparable to the DF thickness ( 0.9 di), is primarily in the tangential plane to the DF current sheet and mainly undergoes the E × B drift motion; it contributes significantly to the current system at the DF, including a localized ring-current that can modify the DF topology. Associated with this fast jet, we observed a persistent normal electric field, strong lower hybrid drift waves, and strong energy conversion at the DF. Such strong energy conversion is primarily attributed to the electron-jet-driven current (E ṡ je ≈ 2 E ṡ ji), rather than the ion current suggested in previous studies.

  8. Synthesis of Spiroisoxazolines by 1,3-Dipolar Cycloaddition

    Directory of Open Access Journals (Sweden)

    Peter Ertl

    1997-04-01

    Full Text Available The cycloaddition of the chiral nitrile oxide 1 to 1-R-substituted 3,3-methylene-5,5-dimethyl-2-pyrrolidinones 2 (where R is H, n-butyl-, 1,1-dimethylethoxycarbonyl-, 1-methylethenyl- and acetyl- proceeds regioselectively under the formation of spiroisoxazolines, namely 7-R-substituted-6-oxo-8,8-dimethyl-1-oxa-2,7-diazaspiro[4,4]non-2-enes 5 and 6. The asymmetric induction expected by the a-chiral centre of the nitrile oxide 1 was not very effective, diastereoisomers 5 and 6 were formed in an approximate 50:50 ratio. The stereoselectivity of the 1,3-dipolar cycloaddition of the arylnitrile oxide 7 with the chiral lactam 3 and the achiral lactone 4 are investigated. The attack of the 1,3-dipole occurred from the less hindered face of the dipolarophile 3 and 4, giving the major isomer 8 and 10, respectively.

  9. Nuclear dipolar magnetism around one microkelvin in calciumhydroxide

    International Nuclear Information System (INIS)

    Marks, J.

    1985-01-01

    This thesis is devoted to a study of dipolar magnetism of the proton spins in Ca(OH) 2 . First, cooling techniques are described. The energy of different spin configurations are calculated in the Weiss-field approximation. Crystallographic characteristics of Ca(OH) 2 are described, as well as a method to produce monocrystals and a method for crystal doping using 1.5 MeV electron beams. It is shown that the polarization mechanism of the proton spins in Ca(OH) 2 doped with O 2 - centra is the 'Solid Effect'. Susceptibility measurements are presented as a function of the polarization. Results imply that both at positive and at negative temperatures state ordering sets in, characterized by a plateau in the susceptibility. (Auth/G.J.P.)

  10. Hidden magnetism in periodically modulated one dimensional dipolar fermions

    Science.gov (United States)

    Fazzini, S.; Montorsi, A.; Roncaglia, M.; Barbiero, L.

    2017-12-01

    The experimental realization of time-dependent ultracold lattice systems has paved the way towards the implementation of new Hubbard-like Hamiltonians. We show that in a one-dimensional two-components lattice dipolar Fermi gas the competition between long range repulsion and correlated hopping induced by periodically modulated on-site interaction allows for the formation of hidden magnetic phases, with degenerate protected edge modes. The magnetism, characterized solely by string-like nonlocal order parameters, manifests in the charge and/or in the spin degrees of freedom. Such behavior is enlighten by employing Luttinger liquid theory and numerical methods. The range of parameters for which hidden magnetism is present can be reached by means of the currently available experimental setups and probes.

  11. Drag Effect in Double-Layer Dipolar Fermi Gases

    International Nuclear Information System (INIS)

    Tanatar, B; Renklioglu, B; Oktel, M O

    2014-01-01

    We consider two parallel layers of two-dimensional spin-polarized dipolar Fermi gas without any tunneling between the layers. The effective interactions describing screening and correlation effects between the dipoles in a single layer (intra-layer) and across the layers (interlayer) are modeled within the Hubbard approximation. We calculate the rate of momentum transfer between the layers when the gas in one layer has a steady flow. The momentum transfer induces a steady flow in the second layer which is assumed initially at rest. This is the drag effect familiar from double-layer semiconductor and graphene structures. Our calculations show that the momentum relaxation time has temperature dependence similar to that in layers with charged particles which we think is related to the contributions from the collective modes of the system

  12. Equilibrium phases of dipolar lattice bosons in the presence of random diagonal disorder

    Science.gov (United States)

    Zhang, C.; Safavi-Naini, A.; Capogrosso-Sansone, B.

    2018-01-01

    Ultracold gases offer an unprecedented opportunity to engineer disorder and interactions in a controlled manner. In an effort to understand the interplay between disorder, dipolar interactions, and quantum degeneracy, we study two-dimensional hard-core dipolar lattice bosons in the presence of on-site bound disorder. Our results are based on large-scale path-integral quantum Monte Carlo simulations by the worm algorithm. We study the ground-state phase diagram at a fixed half-integer filling factor for which the clean system is either a superfluid at a lower dipolar interaction strength or a checkerboard solid at a larger dipolar interaction strength. We find that, even for weak dipolar interactions, superfluidity is destroyed in favor of a Bose glass at a relatively low disorder strength. Interestingly, in the presence of disorder, superfluidity persists for values of the dipolar interaction strength for which the clean system is a checkerboard solid. At a fixed disorder strength, as the dipolar interaction is increased, superfluidity is destroyed in favor of a Bose glass. As the interaction is further increased, the system eventually develops extended checkerboard patterns in the density distribution. Due to the presence of disorder, though, grain boundaries and defects, responsible for a finite residual compressibility, are present in the density distribution. Finally, we study the robustness of the superfluid phase against thermal fluctuations.

  13. Optical switching of nuclear spin-spin couplings in semiconductors.

    Science.gov (United States)

    Goto, Atsushi; Ohki, Shinobu; Hashi, Kenjiro; Shimizu, Tadashi

    2011-07-05

    Two-qubit operation is an essential part of quantum computation. However, solid-state nuclear magnetic resonance quantum computing has not been able to fully implement this functionality, because it requires a switchable inter-qubit coupling that controls the time evolutions of entanglements. Nuclear dipolar coupling is beneficial in that it is present whenever nuclear-spin qubits are close to each other, while it complicates two-qubit operation because the qubits must remain decoupled to prevent unwanted couplings. Here we introduce optically controllable internuclear coupling in semiconductors. The coupling strength can be adjusted externally through light power and even allows on/off switching. This feature provides a simple way of switching inter-qubit couplings in semiconductor-based quantum computers. In addition, its long reach compared with nuclear dipolar couplings allows a variety of options for arranging qubits, as they need not be next to each other to secure couplings.

  14. Optical switching of nuclear spin–spin couplings in semiconductors

    Science.gov (United States)

    Goto, Atsushi; Ohki, Shinobu; Hashi, Kenjiro; Shimizu, Tadashi

    2011-01-01

    Two-qubit operation is an essential part of quantum computation. However, solid-state nuclear magnetic resonance quantum computing has not been able to fully implement this functionality, because it requires a switchable inter-qubit coupling that controls the time evolutions of entanglements. Nuclear dipolar coupling is beneficial in that it is present whenever nuclear–spin qubits are close to each other, while it complicates two-qubit operation because the qubits must remain decoupled to prevent unwanted couplings. Here we introduce optically controllable internuclear coupling in semiconductors. The coupling strength can be adjusted externally through light power and even allows on/off switching. This feature provides a simple way of switching inter-qubit couplings in semiconductor-based quantum computers. In addition, its long reach compared with nuclear dipolar couplings allows a variety of options for arranging qubits, as they need not be next to each other to secure couplings. PMID:21730962

  15. Particle-in-cell Simulation of Dipolarization Front Associated Whistlers

    Science.gov (United States)

    Lin, D.; Scales, W.; Ganguli, G.; Crabtree, C. E.

    2017-12-01

    Dipolarization fronts (DFs) are dipolarized magnetic field embedded in the Earthward propagating bursty bulk flows (BBFs), which separates the hot, tenuous high-speed flow from the cold, dense, and slowly convecting surrounding plasma [Runov et al. 2011]. Broadband fluctuations have been observed at DFs including the electromagnetic whistler waves and electrostatic lower hybrid waves in the Very Low Frequency (VLF) range [e.g., Zhou et al. 2009, Deng et al. 2010]. There waves are suggested to be able heat electrons and play a critical role in the plasma sheet dynamics [Chaston et al., 2012, Angelopoulos et al., 2013]. However, their generation mechanism and role in the energy conversion are still under debate. The gradient scale of magnetic field, plasma density at DFs in the near-Earth magnetotail is comparable to or lower than the ion gyro radius [Runov et al., 2011, Fu et al., 2012, Breuillard et al., 2016]. Such strongly inhomogeneous configuration could be unstable to the electron-ion hybrid (EIH) instability, which arises from strongly sheared transverse flow and is in the VLF range [Ganguli et al. 1988, Ganguli et al. 2014]. The equilibrium of the EIH theory implies an anisotropy of electron temperature, which are likely to drive the whistler waves observed in DFs [Deng et al., 2010, Gary et al., 2011]. In order to better understand how the whistler waves are generated in DFs and whether the EIH theory is applicable, a fully electromagnetic particle-in-cell (EMPIC) model is used to simulate the EIH instability with similar equilibrium configurations in DF observations. The EMPIC model deals with three dimensions in the velocity space and two dimensions in the configuration space, which is quite ready to include the third configuration dimension. Simulation results will be shown in this presentation.

  16. Energetic Electron Acceleration and Injection During Dipolarization Events in Mercury's Magnetotail

    Science.gov (United States)

    Dewey, Ryan M.; Slavin, James A.; Raines, Jim M.; Baker, Daniel N.; Lawrence, David J.

    2017-12-01

    Energetic particle bursts associated with dipolarization events within Mercury's magnetosphere were first observed by Mariner 10. The events appear analogous to particle injections accompanying dipolarization events at Earth. The Energetic Particle Spectrometer (3 s resolution) aboard MESSENGER determined the particle bursts are composed entirely of electrons with energies ≳ 300 keV. Here we use the Gamma-Ray Spectrometer high-time-resolution (10 ms) energetic electron measurements to examine the relationship between energetic electron injections and magnetic field dipolarization in Mercury's magnetotail. Between March 2013 and April 2015, we identify 2,976 electron burst events within Mercury's magnetotail, 538 of which are closely associated with dipolarization events. These dipolarizations are detected on the basis of their rapid ( 2 s) increase in the northward component of the tail magnetic field (ΔBz 30 nT), which typically persists for 10 s. Similar to those at Earth, we find that these dipolarizations appear to be low-entropy, depleted flux tubes convecting planetward following the collapse of the inner magnetotail. We find that electrons experience brief, yet intense, betatron and Fermi acceleration during these dipolarizations, reaching energies 130 keV and contributing to nightside precipitation. Thermal protons experience only modest betatron acceleration. While only 25% of energetic electron events in Mercury's magnetotail are directly associated with dipolarization, the remaining events are consistent with the Near-Mercury Neutral Line model of magnetotail injection and eastward drift about Mercury, finding that electrons may participate in Shabansky-like closed drifts about the planet. Magnetotail dipolarization may be the dominant source of energetic electron acceleration in Mercury's magnetosphere.

  17. Optical Switching Using Transition from Dipolar to Charge Transfer Plasmon Modes in Ge2Sb2Te5 Bridged Metallodielectric Dimers

    Science.gov (United States)

    Ahmadivand, Arash; Gerislioglu, Burak; Sinha, Raju; Karabiyik, Mustafa; Pala, Nezih

    2017-02-01

    Capacitive coupling and direct shuttling of charges in nanoscale plasmonic components across a dielectric spacer and through a conductive junction lead to excitation of significantly different dipolar and charge transfer plasmon (CTP) resonances, respectively. Here, we demonstrate the excitation of dipolar and CTP resonant modes in metallic nanodimers bridged by phase-change material (PCM) sections, material and electrical characteristics of which can be controlled by external stimuli. Ultrafast switching (in the range of a few nanoseconds) between amorphous and crystalline phases of the PCM section (here Ge2Sb2Te5 (GST)) allows for designing a tunable plasmonic switch for optical communication applications with significant modulation depth (up to 88%). Judiciously selecting the geometrical parameters and taking advantage of the electrical properties of the amorphous phase of the GST section we adjusted the extinction peak of the dipolar mode at the telecommunication band (λ~1.55 μm), which is considered as the OFF state. Changing the GST phase to crystalline via optical heating allows for direct transfer of charges through the junction between nanodisks and formation of a distinct CTP peak at longer wavelengths (λ~1.85 μm) far from the telecommunication wavelength, which constitutes the ON state.

  18. Tight Coupling of Metabolic Oscillations and Intracellular Water Dynamics in Saccharomyces cerevisiae

    DEFF Research Database (Denmark)

    Thoke, Henrik Seir; Tobiesen, Asger; Brewer, Jonathan R.

    2015-01-01

    We detected very strong coupling between the oscillating concentration of ATP and the dynamics of intracellular water during glycolysis in Saccharomyces cerevisiae. Our results indicate that: i) dipolar relaxation of intracellular water is heterogeneous within the cell and different from dilute...... conditions, ii) water dipolar relaxation oscillates with glycolysis and in phase with ATP concentration, iii) this phenomenon is scale-invariant from the subcellular to the ensemble of synchronized cells and, iv) the periodicity of both glycolytic oscillations and dipolar relaxation are equally affected by D...

  19. Chiral-glass transition in a diluted dipolar-interaction Heisenberg system

    International Nuclear Information System (INIS)

    Zhang Kaicheng; Liu Guibin; Zhu Yan

    2011-01-01

    Recently, numerical simulations reveal that a spin-glass transition can occur in the three-dimensional diluted dipolar system. By defining the chirality of triple spins in a diluted dipolar Heisenberg spin glass, we study the chiral ordering in the system using parallel tempering algorithm and heat bath method. The finite-size scaling analysis reveals that the system undergoes a chiral-glass transition at finite temperature. - Highlights: → We define the chirality in a diluted dipolar Heisenberg system. → The system undergoes a chiral-glass transition at finite temperature. → We extract the critical exponents of the chiral-glass transition.

  20. Many-body formation and dissociation of a dipolar chain crystal

    International Nuclear Information System (INIS)

    You, Jhih-Shih; Wang, Daw-Wei

    2014-01-01

    We propose an experimental scheme to effectively assemble chains of dipolar gases with a uniform length in a multi-layer system. The obtained dipolar chains can form a chain crystal with the system temperature easily controlled by the initial lattice potential and the external field strength during processing. When the density of chains increases, we further observe a second order quantum phase transition for the chain crystal to be dissociated toward layers of 2D crystal, where the quantum fluctuation dominates the classical energy and the compressibility diverges at the phase boundary. The experimental implication of such a dipolar chain crystal and its quantum phase transition is also discussed. (paper)

  1. On the Acceleration and Anisotropy of Ions Within Magnetotail Dipolarizing Flux Bundles

    Science.gov (United States)

    Zhou, Xu-Zhi; Runov, Andrei; Angelopoulos, Vassilis; Artemyev, Anton V.; Birn, Joachim

    2018-01-01

    Dipolarizing flux bundles (DFBs), earthward propagating structures with enhanced northward magnetic field Bz, are usually believed to carry a distinctly different plasma population from that in the ambient magnetotail plasma sheet. The ion distribution functions within the DFB, however, have been recently found to be largely controlled by the ion adiabaticity parameter κ in the ambient plasma sheet outside the DFB. According to these observations, the ambient κ values of 2-3 usually correspond to a strong perpendicular anisotropy of suprathermal ions within the DFB, whereas for lower κ values the DFB ions become more isotropic. Here we utilize a simple, test particle model to explore the nature of the anisotropy and its dependence on the ambient κ values. We find that the anisotropy originates from successive ion reflections and reentries to the DFB, during which the ions are consecutively accelerated in the perpendicular direction by the DFB-associated electric field. This consecutive acceleration may be interrupted, however, when magnetic field lines are highly curved in the ambient plasma sheet. In this case, the ion trajectories become stochastic outside the DFB, which makes the reflected ions less likely to return to the DFB for another cycle of acceleration; as a consequence, the perpendicular ion anisotropy does not appear. Given that the DFB ions are a free energy source for instabilities when they are injected toward Earth, our simple model (that reproduces most observational features on the anisotropic DFB ion distributions) may shed new lights on the coupling process between magnetotail and inner magnetosphere.

  2. ΔM/sub j/ transitions in homonuclear molecule scattering off corrugated surfaces. Square and rectangular lattice symmetry and purely repulsive interaction

    International Nuclear Information System (INIS)

    Proctor, T.R.; Kouri, D.J.; Gerber, R.B.

    1984-01-01

    In this paper, we present the first formal and computational studies of Δm/sub j/ transitions occurring in homonuclear molecule-corrugated surface collisions. The model potential is a pairwise additive one which correctly incorporates the fact that Δm/sub j/ transitions occur only for corrugated surfaces (provided the quantization axis is chosen to be the average surface normal). The principal results are: (a) Δm/sub j/ transitions are extremely sensitive to lattice symmetry; (b) strong selection rules obtain for specular scattering; (c) the magnitude of Δm/sub j/ -transition probabilities are strongly sensitive to surface corrugation; (d) the Δm/sub j/ transitions depend strongly on diffraction peak; (e) the ratio of molecular length to lattice dimension (r/a) has a strong influence on the magnitude of Δm/sub j/ -transition probabilities [with the probabilities increasing as (r/a) increases]; (f) Δm/sub j/ rainbows are predicted to occur as a function of the (r/a) ratio increases; (g) Δm/sub j/ transitions and the Δm/sub j/ rainbow are expected to accompany Δj-rotational rainbows; (h) such magnetic transition rainbows accompanying Δj rainbows are suggested as an explanation of recent experimental observations of quenching of NO polarization for larger Δj transitions in NO/Ag(111) scattering

  3. Regio- and stereochemistry of 1,3-dipolar cycloaddition of nitrile oxides to alkenes

    International Nuclear Information System (INIS)

    Litvinovskaya, Raisa P; Khripach, Vladimir A

    2001-01-01

    The published data on the chemistry of intermolecular 1,3-dipolar cycloaddition of nitrile oxides to different types of alkene derivatives are systematised. Various aspects of stereo- and regiochemistry of this reaction are considered. The bibliography includes 182 references.

  4. Structures and dynamics in a two-dimensional dipolar dust particle system

    Science.gov (United States)

    Hou, X. N.; Liu, Y. H.; Kravchenko, O. V.; Lapushkina, T. A.; Azarova, O. A.; Chen, Z. Y.; Huang, F.

    2018-05-01

    The effects of electric dipole moment, the number of dipolar particles, and system temperature on the structures and dynamics of a dipolar dust particle system are studied by molecular dynamics simulations. The results show that the larger electric dipole moment is favorable for the formation of a long-chain structure, the larger number of dipolar dust particles promotes the formation of the multi-chain structure, and the higher system temperature can cause higher rotation frequency. The trajectories, mean square displacement (MSD), and the corresponding spectrum functions of the MSDs are also calculated to illustrate the dynamics of the dipolar dust particle system, which is also closely related to the growth of dust particles. Some simulations are qualitatively in agreement with our experiments and can provide a guide for the study on dust growth, especially on the large-sized particles.

  5. Cluster-cluster aggregation of Ising dipolar particles under thermal noise

    KAUST Repository

    Suzuki, Masaru; Kun, Ferenc; Ito, Nobuyasu

    2009-01-01

    The cluster-cluster aggregation processes of Ising dipolar particles under thermal noise are investigated in the dilute condition. As the temperature increases, changes in the typical structures of clusters are observed from chainlike (D1

  6. The phase transition in the anisotropic Heisenberg model with long range dipolar interactions

    International Nuclear Information System (INIS)

    Mól, L.A.S.; Costa, B.V.

    2014-01-01

    In this work we have used extensive Monte Carlo calculations to study the planar to paramagnetic phase transition in the two-dimensional anisotropic Heisenberg model with dipolar interactions (AHd) considering the true long-range character of the dipolar interactions by means of the Ewald summation. Our results are consistent with an order–disorder phase transition with unusual critical exponents in agreement with our previous results for the Planar Rotator model with dipolar interactions. Nevertheless, our results disagree with the Renormalization Group results of Maier and Schwabl [Phys. Rev. B, 70, 134430 (2004)] [13] and the results of Rapini et al. [Phys. Rev. B, 75, 014425 (2007)] [12], where the AHd was studied using a cut-off in the evaluation of the dipolar interactions. We argue that besides the long-range character of dipolar interactions their anisotropic character may have a deeper effect in the system than previously believed. Besides, our results show that the use of a cut-off radius in the evaluation of dipolar interactions must be avoided when analyzing the critical behavior of magnetic systems, since it may lead to erroneous results. - Highlights: • The anisotropic Heisenberg model with dipolar interactions is studied. • True long-range interactions were considered by means of Ewald summation. • We found an order–disorder phase transition with unusual critical exponents. • Previous results show a different behavior when a cut-off radius is introduced. • The use of a cut-off radius must be avoided when dealing with dipolar systems

  7. Statistical mechanics of molecular fluids. The RHNC theory applied to hard dipolar spheres

    International Nuclear Information System (INIS)

    Lombardero, M.; Lado, F.; Abascal, J.L.F.; Lago, S.; Enciso, E.

    1988-01-01

    The RHNC (reference hipernetted chain) equation, together with an optimization criterion which extremalizes the Helmholtz free energy, is used to obtain structural, thermodynamic, and dielectric properties of a system made up of hard dipolar spheres. The comparison with simulation results is made in the same boundary conditions and then the properties of an infinite system are evaluated for a variaty of states at different densities and dipolar moments. (Author)

  8. Energetic electron injections and dipolarization events in Mercury's magnetotail: Substorm dynamics

    Science.gov (United States)

    Dewey, R. M.; Slavin, J. A.; Raines, J. M.; Imber, S.; Baker, D. N.; Lawrence, D. J.

    2017-12-01

    Despite its small size, Mercury's terrestrial-like magnetosphere experiences brief, yet intense, substorm intervals characterized by features similar to at Earth: loading/unloading of the tail lobes with open magnetic flux, dipolarization of the magnetic field at the inner edge of the plasma sheet, and, the focus of this presentation, energetic electron injection. We use the Gamma-Ray Spectrometer's high-time resolution (10 ms) energetic electron measurements to determine the relationship between substorm activity and energetic electron injections coincident with dipolarization fronts in the magnetotail. These dipolarizations were detected on the basis of their rapid ( 2 s) increase in the northward component of the tail magnetic field (ΔBz 30 nT), which typically persists for 10 s. We estimate the typical flow channel to be 0.15 RM, planetary convection speed of 750 km/s, cross-tail potential drop of 7 kV, and flux transport of 0.08 MWb for each dipolarization event, suggesting multiple simultaneous and sequential dipolarizations are required to unload the >1 MWb of magnetic flux typically returned to the dayside magnetosphere during a substorm interval. Indeed, while we observe most dipolarization-injections to be isolated or in small chains of events (i.e., 1-3 events), intervals of sawtooth-like injections with >20 sequential events are also present. The typical separation between dipolarization-injection events is 10 s. Magnetotail dipolarization, in addition to being a powerful source of electron acceleration, also plays a significant role in the substorm process at Mercury.

  9. AC susceptibility as a tool to probe the dipolar interaction in magnetic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Landi, Gabriel T., E-mail: gtlandi@gmail.com [Universidade Federal do ABC, 09210-580 Santo André (Brazil); Arantes, Fabiana R. [Universidade Federal do ABC, 09210-580 Santo André (Brazil); Cornejo, Daniel R. [Instituto de Física da Universidade de São Paulo, São Paulo 05508-090 (Brazil); Bakuzis, Andris F. [Instituto de Física, Universidade Federal de Goiás, 74690-900 Goiânia-GO (Brazil); Andreu, Irene; Natividad, Eva [Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC-Universidad de Zaragoza, Zaragoza 50018 (Spain)

    2017-01-01

    The dipolar interaction is known to substantially affect the properties of magnetic nanoparticles. This is particularly important when the particles are kept in a fluid suspension or packed within nano-carriers. In addition to its usual long-range nature, in these cases the dipolar interaction may also induce the formation of clusters of particles, thereby strongly modifying their magnetic anisotropies. In this paper we show how AC susceptibility may be used to obtain information regarding the influence of the dipolar interaction in a sample. We develop a model which includes both aspects of the dipolar interaction and may be fitted directly to the susceptibility data. The usual long-range nature of the interaction is implemented using a mean-field approximation, whereas the particle-particle aggregation is modeled using a distribution of anisotropy constants. The model is then applied to two samples studied at different concentrations. One consists of spherical magnetite nanoparticles dispersed in oil and the other of cubic magnetite nanoparticles embedded on polymeric nanospheres. We also introduce a simple technique to address the presence of the dipolar interaction in a given sample, based on the height of the AC susceptibility peaks for different driving frequencies. - Highlights: We discuss the importance of the dipolar interaction in magnetic nanoparticle samples. It is shown that AC susceptibility may be used to estimate the extent of this interaction. We develop a model that accounts for particle aggregation. The theoretical model is then fitted to distinct magnetite samples.

  10. Testing physical models for dipolar asymmetry with CMB polarization

    Science.gov (United States)

    Contreras, D.; Zibin, J. P.; Scott, D.; Banday, A. J.; Górski, K. M.

    2017-12-01

    The cosmic microwave background (CMB) temperature anisotropies exhibit a large-scale dipolar power asymmetry. To determine whether this is due to a real, physical modulation or is simply a large statistical fluctuation requires the measurement of new modes. Here we forecast how well CMB polarization data from Planck and future experiments will be able to confirm or constrain physical models for modulation. Fitting several such models to the Planck temperature data allows us to provide predictions for polarization asymmetry. While for some models and parameters Planck polarization will decrease error bars on the modulation amplitude by only a small percentage, we show, importantly, that cosmic-variance-limited (and in some cases even Planck) polarization data can decrease the errors by considerably better than the expectation of √{2 } based on simple ℓ-space arguments. We project that if the primordial fluctuations are truly modulated (with parameters as indicated by Planck temperature data) then Planck will be able to make a 2 σ detection of the modulation model with 20%-75% probability, increasing to 45%-99% when cosmic-variance-limited polarization is considered. We stress that these results are quite model dependent. Cosmic variance in temperature is important: combining statistically isotropic polarization with temperature data will spuriously increase the significance of the temperature signal with 30% probability for Planck.

  11. Classical and quantum phases of low-dimensional dipolar systems

    Energy Technology Data Exchange (ETDEWEB)

    Cartarius, Florian

    2016-09-22

    In this thesis we present a detailed study of the phase diagram of ultracold bosonic atoms confined along a tight atomic wave guide, along which they experience an optical lattice potential. In this quasi-one dimensional model we analyse the interplay between interactions and quantum fluctuations in (i) determining the non-equilibrium steady state after a quench and (ii) giving rise to novel equilibrium phases, when the interactions combine the s-wave contact interaction and the anisotropic long range dipole-dipole interactions. In detail, in the first part of the thesis we study the depinning of a gas of impenetrable bosons following the sudden switch of of the optical lattice. By means of a Bose-Fermi mapping we infer the exact quantum dynamical evolution and show that in the thermodynamic limit the system is in a non-equilibrium steady state without quasi-long range order. In the second part of the thesis, we study the effect of quantum fluctuations on the linear-zigzag instability in the ground state of ultracold dipolar bosons, as a function of the strength of the transverse confinement. We first analyse the linear-zigzag instability in the classical regime, and then use our results to develop a multi-mode Bose-Hubbard model for the system. We then develop several numerical methods, to determine the ground state.

  12. Morpholino spin-labeling for base-pair sequencing of a 3'-terminal RNA stem by proton homonuclear Overhauser enhancements: yeast ribosomal 5S RNA

    International Nuclear Information System (INIS)

    Lee, K.M.; Marshall, A.G.

    1987-01-01

    Base-pair sequences for 5S and 5.8S RNAs are not readily extracted from proton homonuclear nuclear Overhauser enhancement (NOE) connectivity experiments alone, due to extensive peak overlap in the downfield (11-15 ppm) proton NMR spectrum. In this paper, we introduce a new method for base-pair proton peak assignment for ribosomal RNAs, based upon the distance-dependent broadening of the resonances of base-pair protons spatially proximal to a paramagnetic group. Introduction of a nitroxide spin-label covalently attached to the 3'-terminal ribose provides an unequivocal starting point for base-pair hydrogen-bond proton NMR assignment. Subsequent NOE connectivities then establish the base-pair sequence for the terminal stem of a 5S RNA. Periodate oxidation of yeast 5S RNA, followed by reaction with 4-amino-2,2,6,6-tetramethylpiperidinyl-1-oxy (TEMPO-NH2) and sodium borohydride reduction, produces yeast 5S RNA specifically labeled with a paramagnetic nitroxide group at the 3'-terminal ribose. Comparison of the 500-MHz 1H NMR spectra of native and 3'-terminal spin-labeled yeast 5S RNA serves to identify the terminal base pair (G1 . C120) and its adjacent base pair (G2 . U119) on the basis of their proximity to the 3'-terminal spin-label. From that starting point, we have then identified (G . C, A . U, or G . U) and sequenced eight of the nine base pairs in the terminal helix via primary and secondary NOE's

  13. Response of energetic particles to local magnetic dipolarization inside geosynchronous orbit

    Science.gov (United States)

    Motoba, T.; Ohtani, S.; Gkioulidou, M.; Takahashi, K.

    2017-12-01

    Magnetic field dipolarization and energetic particle injections are the most distinct phenomena observed in the inner magnetosphere during the substorm expansion phase. Compared to a wealth of knowledge about the phenomenology of magnetic dipolarizations and particle injections at/outside geosynchronous orbit (GEO), our understanding of them inside GEO remains incomplete because of a very limited number of previous studies. In the present study, we statistically examine the response of 1-1000 keV energetic particles to local magnetic dipolarization by performing a superposed epoch analysis of energetic particle fluxes with the zero epoch defined as the dipolarization onset times. Based on data from the Van Allen Probes tail seasons in 2012-2016, we identified a total of 97 magnetic dipolarization events which occurred closer to the magnetic equator (i.e., BH, which is antiparallel to the Earth's dipole axis, is the dominant component of the local magnetic field at least for 5 min before the onset). For major ion species (hydrogen, helium, and oxygen ions), the relative flux intensity to the pre-onset level increases at > 50 keV and decreases at inverse energy dispersion. For dipolarizations with strong impulsive westward electric fields, the relative electron flux intensity increases up to 5-10 times, in particular most significant at several tens of keV. This result suggests that the impulsive electric field acts as an efficient factor in the rapid energization of the tens-of-keV electrons. We also discuss how the response of energetic particles to dipolarization depends on MLT, radial distance, and pitch angle.

  14. Physics of Substorm Growth Phase, Onset, and Dipolarization

    Energy Technology Data Exchange (ETDEWEB)

    C.Z. Cheng

    2003-10-22

    A new scenario of substorm growth phase, onset, and depolarization during expansion phase and the corresponding physical processes are presented. During the growth phase, as a result of enhanced plasma convection, the plasma pressure and its gradient are continued to be enhanced over the quiet-time values in the plasma sheet. Toward the late growth phase, a strong cross-tail current sheet is formed in the near-Earth plasma sheet region, where a local magnetic well is formed, the plasma beta can reach a local maximum with value larger than 50 and the cross-tail current density can be enhanced to over 10nA/m{sup 2} as obtained from 3D quasi-static magnetospheric equilibrium solutions for the growth phase. The most unstable kinetic ballooning instabilities (KBI) are expected to be located in the tailward side of the strong cross-tail current sheet region. The field lines in the most unstable KBI region map to the transition region between the region-1 and region-2 currents in the ionosphere, which is consistent with the observed initial brightening location of the breakup arc in the intense proton precipitation region. The KBI explains the AMPTE/CCE observations that a low-frequency instability with a wave period of 50-75 seconds is excited about 2-3 minutes prior to substorm onset and grows exponentially to a large amplitude at the onset of current disruption (or current reduction). At the current disruption onset higher frequency instabilities are excited so that the plasma and electromagnetic field fluctuations form a strong turbulent state. Plasma transport takes place due to the strong turbulence to relax the ambient plasma pressure profile so that the plasma pressure and current density are reduced and the ambient magnetic field intensity increases by more than a factor of 2 in the high-beta(sub)eq region and the field line geometry recovers from tail-like to dipole-like dipolarization.

  15. Physics of Substorm Growth Phase, Onset, and Dipolarization

    International Nuclear Information System (INIS)

    Cheng, C.Z.

    2003-01-01

    A new scenario of substorm growth phase, onset, and depolarization during expansion phase and the corresponding physical processes are presented. During the growth phase, as a result of enhanced plasma convection, the plasma pressure and its gradient are continued to be enhanced over the quiet-time values in the plasma sheet. Toward the late growth phase, a strong cross-tail current sheet is formed in the near-Earth plasma sheet region, where a local magnetic well is formed, the plasma beta can reach a local maximum with value larger than 50 and the cross-tail current density can be enhanced to over 10nA/m 2 as obtained from 3D quasi-static magnetospheric equilibrium solutions for the growth phase. The most unstable kinetic ballooning instabilities (KBI) are expected to be located in the tailward side of the strong cross-tail current sheet region. The field lines in the most unstable KBI region map to the transition region between the region-1 and region-2 currents in the ionosphere, which is consistent with the observed initial brightening location of the breakup arc in the intense proton precipitation region. The KBI explains the AMPTE/CCE observations that a low-frequency instability with a wave period of 50-75 seconds is excited about 2-3 minutes prior to substorm onset and grows exponentially to a large amplitude at the onset of current disruption (or current reduction). At the current disruption onset higher frequency instabilities are excited so that the plasma and electromagnetic field fluctuations form a strong turbulent state. Plasma transport takes place due to the strong turbulence to relax the ambient plasma pressure profile so that the plasma pressure and current density are reduced and the ambient magnetic field intensity increases by more than a factor of 2 in the high-beta(sub)eq region and the field line geometry recovers from tail-like to dipole-like dipolarization

  16. The structure of the interface in the solvent mediated interaction of dipolar surfaces

    International Nuclear Information System (INIS)

    Dzhavakhidze, P.G.; Levadny, V.G.

    1987-08-01

    Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dipolar layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note we discuss the role of solvation of surface dipolar groups. We propose an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance if the surface dipolar groups are immersed deep enough in the solvent and how the long-range oscillative mode disappears when the surface is but weakly solvated. (author). 35 refs, 5 figs

  17. Rapid measurement of residual dipolar couplings for fast fold elucidation of proteins

    Energy Technology Data Exchange (ETDEWEB)

    Rasia, Rodolfo M. [Jean-Pierre Ebel CNRS/CEA/UJF, Institut de Biologie Structurale (France); Lescop, Ewen [CNRS, Institut de Chimie des Substances Naturelles (France); Palatnik, Javier F. [Universidad Nacional de Rosario, Instituto de Biologia Molecular y Celular de Rosario, Facultad de Ciencias Bioquimicas y Farmaceuticas (Argentina); Boisbouvier, Jerome, E-mail: jerome.boisbouvier@ibs.fr; Brutscher, Bernhard, E-mail: Bernhard.brutscher@ibs.fr [Jean-Pierre Ebel CNRS/CEA/UJF, Institut de Biologie Structurale (France)

    2011-11-15

    It has been demonstrated that protein folds can be determined using appropriate computational protocols with NMR chemical shifts as the sole source of experimental restraints. While such approaches are very promising they still suffer from low convergence resulting in long computation times to achieve accurate results. Here we present a suite of time- and sensitivity optimized NMR experiments for rapid measurement of up to six RDCs per residue. Including such an RDC data set, measured in less than 24 h on a single aligned protein sample, greatly improves convergence of the Rosetta-NMR protocol, allowing for overnight fold calculation of small proteins. We demonstrate the performance of our fast fold calculation approach for ubiquitin as a test case, and for two RNA-binding domains of the plant protein HYL1. Structure calculations based on simulated RDC data highlight the importance of an accurate and precise set of several complementary RDCs as additional input restraints for high-quality de novo structure determination.

  18. Experimental implementation of a quantum random-walk search algorithm using strongly dipolar coupled spins

    International Nuclear Information System (INIS)

    Lu Dawei; Peng Xinhua; Du Jiangfeng; Zhu Jing; Zou Ping; Yu Yihua; Zhang Shanmin; Chen Qun

    2010-01-01

    An important quantum search algorithm based on the quantum random walk performs an oracle search on a database of N items with O(√(phN)) calls, yielding a speedup similar to the Grover quantum search algorithm. The algorithm was implemented on a quantum information processor of three-qubit liquid-crystal nuclear magnetic resonance (NMR) in the case of finding 1 out of 4, and the diagonal elements' tomography of all the final density matrices was completed with comprehensible one-dimensional NMR spectra. The experimental results agree well with the theoretical predictions.

  19. Experimental test of renormalization group theory on the uniaxial, dipolar coupled ferromagnet LiTbf4

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage

    1976-01-01

    The transverse correlation range ξ and the susceptibility in the critical region has been measured by neutron scattering. A special technique required to resolve the superdiverging longitudinal correlation range has been utilized. The results for ξ together with existing specific-heat data are in...... are in remarkable agreement with the renormalization group theory of systems with marginal dimensionality. The ratio between the susceptibility amplitudes above and below Tc was found to be 2 in accordance with renormalization-group and meanfield theory....

  20. Characterization and modeling of multi-dipolar microwave plasmas: application to multi-dipolar plasma assisted sputtering; Caracterisation et modelisation des plasmas micro-onde multi-dipolaires: application a la pulverisation assistee par plasma multi-dipolaire

    Energy Technology Data Exchange (ETDEWEB)

    Tran, T.V

    2006-12-15

    The scaling up of plasma processes in the low pressure range remains a question to be solved for their rise at the industrial level. One solution is the uniform distribution of elementary plasma sources where the plasma is produced via electron cyclotron resonance (ECR) coupling. These elementary plasma sources are made up of a cylindrical permanent magnet (magnetic dipole) set at the end of a coaxial microwave line. Although of simple concept, the optimisation of these dipolar plasma sources is in fact a complex problem. It requires the knowledge, on one hand, of the configurations of static magnetic fields and microwave electric fields, and, on the other hand, of the mechanisms of plasma production in the region of high intensity magnetic field (ECR condition), and of plasma diffusion. Therefore, the experimental characterisation of the operating ranges and plasma parameters has been performed by Langmuir probes and optical emission spectroscopy on different configurations of dipolar sources. At the same time, in a first analytical approach, calculations have been made on simple magnetic field configurations, motion and trajectory of electrons in these magnetic fields, and the acceleration of electrons by ECR coupling. Then, the results have been used for the validation of the numerical modelling of the electron trajectories by using a hybrid PIC (particle-in-cell) / MC (Monte Carlo) method. The experimental study has evidenced large operating domains, between 15 and 200 W of microwave power, and from 0.5 to 15 mtorr argon pressure. The analysis of plasma parameters has shown that the region of ECR coupling is localised near the equatorial plane of the magnet and dependent on magnet geometry. These characterizations, applied to a cylindrical reactor using 48 sources, have shown that densities between 10{sup 11} and 10{sup 12} cm{sup -3} could be achieved in the central part of the volume at a few mtorr argon pressures. The modelling of electron trajectories near

  1. Tunnel-induced Dipolar Resonances in a Double-well Potential.

    Science.gov (United States)

    Schulz, Bruno; Saenz, Alejandro

    2016-11-18

    A system of two dipolar particles that are confined in a double-well potential and interact via a realistic isotropic interaction potential is investigated as a protoype for ultracold atoms with a magnetic dipole moment or ultracold dipolar heteronuclear diatomic molecules in double-well traps or in optical lattices. The resulting energy spectrum is discussed as a function of the dipole-dipole interaction strength. The variation of the strength of the dipole-dipole interaction is found to lead to various resonance phenomena. Among those are the previously discussed inelastic confinement-induced resonances as well as the dipole-induced resonances. It is found that the double-well potential gives rise to a new type of resonances, tunnel-induced dipolar ones. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Pitch angle distributions of electrons at dipolarization sites during geomagnetic activity: THEMIS observations

    Science.gov (United States)

    Wang, Kaiti; Lin, Ching-Huei; Wang, Lu-Yin; Hada, Tohru; Nishimura, Yukitoshi; Turner, Drew L.; Angelopoulos, Vassilis

    2014-12-01

    Changes in pitch angle distributions of electrons with energies from a few eV to 1 MeV at dipolarization sites in Earth's magnetotail are investigated statistically to determine the extent to which adiabatic acceleration may contribute to these changes. Forty-two dipolarization events from 2008 and 2009 observed by Time History of Events and Macroscale Interactions during Substorms probes covering the inner plasma sheet from 8 RE to 12 RE during geomagnetic activity identified by the AL index are analyzed. The number of observed events with cigar-type distributions (peaks at 0° and 180°) decreases sharply below 1 keV after dipolarization because in many of these events, electron distributions became more isotropized. From above 1 keV to a few tens of keV, however, the observed number of cigar-type events increases after dipolarization and the number of isotropic events decreases. These changes can be related to the ineffectiveness of Fermi acceleration below 1 keV (at those energies, dipolarization time becomes comparable to electron bounce time). Model-calculated pitch angle distributions after dipolarization with the effect of betatron and Fermi acceleration tested indicate that these adiabatic acceleration mechanisms can explain the observed patterns of event number changes over a large range of energies for cigar events and isotropic events. Other factors still need to be considered to assess the observed increase in cigar events around 2 keV. Indeed, preferential directional increase/loss of electron fluxes, which may contribute to the formation of cigar events, was observed. Nonadiabatic processes to accelerate electrons in a parallel direction may also be important for future study.

  3. The structure of ions and zwitterionic lipids regulates the charge of dipolar membranes.

    Science.gov (United States)

    Szekely, Or; Steiner, Ariel; Szekely, Pablo; Amit, Einav; Asor, Roi; Tamburu, Carmen; Raviv, Uri

    2011-06-21

    In pure water, zwitterionic lipids form lamellar phases with an equilibrium water gap on the order of 2 to 3 nm as a result of the dominating van der Waals attraction between dipolar bilayers. Monovalent ions can swell those neutral lamellae by a small amount. Divalent ions can adsorb onto dipolar membranes and charge them. Using solution X-ray scattering, we studied how the structure of ions and zwitterionic lipids regulates the charge of dipolar membranes. We found that unlike monovalent ions that weakly interact with all of the examined dipolar membranes, divalent and trivalent ions adsorb onto membranes containing lipids with saturated tails, with an association constant on the order of ∼10 M(-1). One double bond in the lipid tail is sufficient to prevent divalent ion adsorption. We suggest that this behavior is due to the relatively loose packing of lipids with unsaturated tails that increases the area per lipid headgroup, enabling their free rotation. Divalent ion adsorption links two lipids and limits their free rotation. The ion-dipole interaction gained by the adsorption of the ions onto unsaturated membranes is insufficient to compensate for the loss of headgroup free-rotational entropy. The ion-dipole interaction is stronger for cations with a higher valence. Nevertheless, polyamines behave as monovalent ions near dipolar interfaces in the sense that they interact weakly with the membrane surface, whereas in the bulk their behavior is similar to that of multivalent cations. Advanced data analysis and comparison with theory provide insight into the structure and interactions between ion-induced regulated charged interfaces. This study models biologically relevant interactions between cell membranes and various ions and the manner in which the lipid structure governs those interactions. The ability to monitor these interactions creates a tool for probing systems that are more complex and forms the basis for controlling the interactions between dipolar

  4. Stepwise π-extension of meso-alkylidenyl porphyrins through sequential 1,3-dipolar cycloaddition and redox reactions.

    Science.gov (United States)

    Park, Dowoo; Jeong, Seung Doo; Ishida, Masatoshi; Lee, Chang-Hee

    2014-08-25

    Several regioselectively π-extended, pyrrole fused porphyrinoids have been synthesized by the 1,3-dipolar cycloaddition of meso-alkylidene-(benzi)porphyrins. Pd(II) complexes gave oxidation resistant, bis-pyrrole fused adducts. The repeated 1,3-dipolar cycloaddition followed by oxidation-reduction of pentaphyrin analogs afforded π-extended porphyrin analogs.

  5. Diazo Compounds as Highly Tunable Reactants in 1,3-Dipolar Cycloaddition Reactions with Cycloalkynes†

    Science.gov (United States)

    McGrath, Nicholas A.

    2012-01-01

    Diazo compounds, which can be accessed directly from azides by deimidogenation, are shown to be extremely versatile dipoles in 1,3-dipolar cycloaddition reactions with a cyclooctyne. The reactivity of a diazo compound can be much greater or much less than its azide analog, and is enhanced markedly in polar-protic solvents. These reactivities are predictable from frontier molecular orbital energies. The most reactive diazo compound exhibited the highest known second-order rate constant to date for a dipolar cycloaddition with a cycloalkyne. These data provide a new modality for effecting chemoselective reactions in a biological context. PMID:23227302

  6. 1,3-Dipolar Cycloadditions of Diazo Compounds in the Presence of Azides.

    Science.gov (United States)

    Aronoff, Matthew R; Gold, Brian; Raines, Ronald T

    2016-04-01

    The diazo group has untapped utility in chemical biology. The tolerance of stabilized diazo groups to cellular metabolism is comparable to that of azido groups. However, chemoselectivity has been elusive, as both groups undergo 1,3-dipolar cycloadditions with strained alkynes. Removing strain and tuning dipolarophile electronics yields diazo group selective 1,3-dipolar cycloadditions that can be performed in the presence of an azido group. For example, diazoacetamide but not its azido congener react with dehydroalanine residues, as in the natural product nisin.

  7. Simulation of transverse beam splitting using time-dependent dipolar or quadrupolar kicks

    CERN Document Server

    Capoani, Federico

    2017-01-01

    Two simple systems with high relevance for accelerator physics have been studied in detail in the context of this Summer Student Project. These systems describe the motion under the influence of detuning with amplitude due to non-linear magnets and an external, time-dependent force of dipolar or quadrupolar nature.Two simple systems with high relevance for accelerator physics have been studied in detail in the context of this Summer Student Project. These systems describe the motion under the influence of detuning with amplitude due to non-linear magnets and an external, time-dependent force of dipolar or quadrupolar nature.

  8. An initial boundary value problem for modeling a piezoelectric dipolar body

    Science.gov (United States)

    Marin, Marin; Öchsner, Andreas

    2018-03-01

    This study deals with the first initial boundary value problem in elasticity of piezoelectric dipolar bodies. We consider the most general case of an anisotropic and inhomogeneous elastic body having a dipolar structure. For two different types of restrictions imposed on the problem data, we prove two results regarding the uniqueness of solution, by using a different but accessible method. Then, the mixed problem is transformed in a temporally evolutionary equation on a Hilbert space, conveniently constructed based on the problem data. With the help of a known result from the theory of semigroups of operators, the existence and uniqueness of the weak solution for this equation are proved.

  9. Dipolar Quinoidal Acene Analogues as Stable Isoelectronic Structures of Pentacene and Nonacene

    KAUST Repository

    Shi, Xueliang

    2015-10-08

    Quinoidal thia-acene analogues, as the respective isoelectronic structures of pentacene and nonacene, were synthesized and an unusual 1,2-sulfur migration was observed during the Friedel-Crafts alkylation reaction. The analogues display a closed-shell quinoidal structure in the ground state with a distinctive dipolar character. In contrast to their acene isoelectronic structures, both compounds are stable because of the existence of more aromatic sextet rings, a dipolar character, and kinetic blocking. They exhibit unique packing in single crystals resulting from balanced dipole-dipole and [C-H⋯π]/[C-H⋯S] interactions.

  10. Ground-state candidate for the classical dipolar kagome Ising antiferromagnet

    Science.gov (United States)

    Chioar, I. A.; Rougemaille, N.; Canals, B.

    2016-06-01

    We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.

  11. Wave Vector Dependent Susceptibility at T>Tc in a Dipolar Ising Ferromagnet

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Holmes, L. M:; Guggenheim, H. J.

    1974-01-01

    The wave-vector-dependent susceptibility of LiTbF4 has been investigated by means of neutron scattering. The observations show a singularity of the susceptibility near wave vector Q=0 which is characteristic of the dipolar Coulomb interaction and good agreement with theory is obtained...

  12. A kinetic study of 1,3-dipolar cycloadditions in micellar media

    NARCIS (Netherlands)

    Rispens, T; Engberts, JBFN

    2003-01-01

    The kinetics of the 1,3-dipolar cycloadditions (DC) of benzonitrile oxide with a series of N-substituted maleimides in micellar media have been investigated. Surfactants studied include anionic sodium dodecyl sulfate, cationic cetyltrimethylammonium bromide, and a series of nonionic alkyl

  13. Electron dynamics during substorm dipolarization in Mercury's magnetosphere

    Directory of Open Access Journals (Sweden)

    D. C. Delcourt

    2005-11-01

    Full Text Available We examine the nonlinear dynamics of electrons during the expansion phase of substorms at Mercury using test particle simulations. A simple model of magnetic field line dipolarization is designed by rescaling a magnetic field model of the Earth's magnetosphere. The results of the simulations demonstrate that electrons may be subjected to significant energization on the time scale (several seconds of the magnetic field reconfiguration. In a similar manner to ions in the near-Earth's magnetosphere, it is shown that low-energy (up to several tens of eV electrons may not conserve the second adiabatic invariant during dipolarization, which leads to clusters of bouncing particles in the innermost magnetotail. On the other hand, it is found that, because of the stretching of the magnetic field lines, high-energy electrons (several keVs and above do not behave adiabatically and possibly experience meandering (Speiser-type motion around the midplane. We show that dipolarization of the magnetic field lines may be responsible for significant, though transient, (a few seconds precipitation of energetic (several keVs electrons onto the planet's surface. Prominent injections of energetic trapped electrons toward the planet are also obtained as a result of dipolarization. These injections, however, do not exhibit short-lived temporal modulations, as observed by Mariner-10, which thus appear to follow from a different mechanism than a simple convection surge.

  14. On the Gross–Pitaevskii equation for trapped dipolar quantum gases

    KAUST Repository

    Carles, Ré mi; Markowich, Peter A; Sparber, Christof

    2008-01-01

    We study the time-dependent Gross-Pitaevskii equation describing Bose-Einstein condensation of trapped dipolar quantum gases. Existence and uniqueness as well as the possible blow-up of solutions are studied. Moreover, we discuss the problem of dimension reduction for this nonlinear and nonlocal Schrödinger equation. © 2008 IOP Publishing Ltd and London Mathematical Society.

  15. Exploring strain-promoted 1,3-dipolar cycloadditions of end functionalized polymers

    NARCIS (Netherlands)

    Ledin, Petr A; Kolishetti, Nagesh; Hudlikar, Manish S; Boons, Geert-Jan

    2014-01-01

    Strain-promoted 1,3-dipolar cycloaddition of cyclooctynes with 1,3-dipoles such as azides, nitrones, and nitrile oxides, are of interest for the functionalization of polymers. In this study, we have explored the use of a 4-dibenzocyclooctynol (DIBO)-containing chain transfer agent in reversible

  16. Inclusion Compound Based Approach to Arrays of Artificial Dipolar Molecular Rotors. A Surface Inclusion

    Czech Academy of Sciences Publication Activity Database

    Kobr, L.; Zhao, K.; Shen, K.; Comotti, A.; Bracco, S.; Shoemaker, R. K.; Sozzani, P.; Clark, N.A.; Price, J. C.; Rogers, C. T.; Michl, Josef

    2012-01-01

    Roč. 134, č. 24 (2012), s. 10122-10131 ISSN 0002-7863 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional research plan: CEZ:AV0Z40550506 Keywords : controlled rotary motion * solid-state dynamics * aromatic nanochannels * NMR-spectroscopy * single-molecule Subject RIV: CC - Organic Chemistry Impact factor: 10.677, year: 2012

  17. Inclusion Compound Based Approach to Arrays of Artificial Dipolar Molecular Rotors: Bulk Inclusions

    Czech Academy of Sciences Publication Activity Database

    Kobr, L.; Zhao, K.; Shen, Y.; Polívková, Kateřina; Shoemaker, R. K.; Clark, N.A.; Price, J. C.; Rogers, C. T.; Michl, Josef

    2013-01-01

    Roč. 78, č. 5 (2013), s. 1768-1777 ISSN 0022-3263 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : solid-state dynamics * phosphonitrilic compounds * aromatic nanochannels * triethylamine Subject RIV: CC - Organic Chemistry Impact factor: 4.638, year: 2013

  18. Tris-o-phenylenedioxycyclotriphosphazene (TPP) Inclusion Compounds Containing a Dipolar Molecular Rotor

    Czech Academy of Sciences Publication Activity Database

    Kobr, L.; Zhao, K.; Shen, Y.; Shoemaker, R. K.; Rogers, C. T.; Michl, Josef

    2014-01-01

    Roč. 14, č. 2 (2014), s. 559-568 ISSN 1528-7483 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : aromatic nanochannels * single-molecule * dynamics Subject RIV: CC - Organic Chemistry Impact factor: 4.891, year: 2014

  19. Numerical simulation of trapped dipolar quantum gases: Collapse studies and vortex dynamics

    KAUST Repository

    Sparber, Christof; Markowich, Peter; Huang, Zhongyi

    2010-01-01

    We numerically study the three dimensional Gross-Pitaevskii equation for dipolar quantum gases using a time-splitting algorithm. We are mainly concerned with numerical investigations of the possible blow-up of solutions, i.e. collapse of the condensate, and the dynamics of vortices. © American Institute of Mathematical Sciences.

  20. Nonlinear localized modes in dipolar Bose–Einstein condensates in two-dimensional optical lattices

    International Nuclear Information System (INIS)

    Rojas-Rojas, Santiago; Naether, Uta; Delgado, Aldo; Vicencio, Rodrigo A.

    2016-01-01

    Highlights: • We study discrete two-dimensional breathers in dipolar Bose–Einstein Condensates. • Important differences in the properties of three fundamental modes are found. • Norm threshold for existence of 2D breathers varies with dipolar interaction. • The Effective Potential Method is implemented for stability analysis. • Uncommon mobility of 2D discrete solitons is observed. - Abstract: We analyze the existence and properties of discrete localized excitations in a Bose–Einstein condensate loaded into a periodic two-dimensional optical lattice, when a dipolar interaction between atoms is present. The dependence of the Number of Atoms (Norm) on the energy of solutions is studied, along with their stability. Two important features of the system are shown, namely, the absence of the Norm threshold required for localized solutions to exist in finite 2D systems, and the existence of regions in the parameter space where two fundamental solutions are simultaneously unstable. This feature enables mobility of localized solutions, which is an uncommon feature in 2D discrete nonlinear systems. With attractive dipolar interaction, a non-trivial behavior of the Norm dependence is obtained, which is well described by an analytical model.

  1. Nonlinear localized modes in dipolar Bose–Einstein condensates in two-dimensional optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Rojas-Rojas, Santiago, E-mail: srojas@cefop.cl [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Naether, Uta [Instituto de Ciencia de Materiales de Aragón and Departamento de Física de la Materia Condensada, CSIC-Universidad de Zaragoza, 50009 Zaragoza (Spain); Delgado, Aldo [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Vicencio, Rodrigo A. [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile)

    2016-09-16

    Highlights: • We study discrete two-dimensional breathers in dipolar Bose–Einstein Condensates. • Important differences in the properties of three fundamental modes are found. • Norm threshold for existence of 2D breathers varies with dipolar interaction. • The Effective Potential Method is implemented for stability analysis. • Uncommon mobility of 2D discrete solitons is observed. - Abstract: We analyze the existence and properties of discrete localized excitations in a Bose–Einstein condensate loaded into a periodic two-dimensional optical lattice, when a dipolar interaction between atoms is present. The dependence of the Number of Atoms (Norm) on the energy of solutions is studied, along with their stability. Two important features of the system are shown, namely, the absence of the Norm threshold required for localized solutions to exist in finite 2D systems, and the existence of regions in the parameter space where two fundamental solutions are simultaneously unstable. This feature enables mobility of localized solutions, which is an uncommon feature in 2D discrete nonlinear systems. With attractive dipolar interaction, a non-trivial behavior of the Norm dependence is obtained, which is well described by an analytical model.

  2. The structure of the interface in the solvent-mediated interaction of dipolar surfaces

    International Nuclear Information System (INIS)

    Dzhavakhidze, P.G.; Kornyshev, A.A.; Levadny, V.G.

    1988-01-01

    Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar-surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dypolar-layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so-called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note it is discussed the role of solvation of surface dipolar groups. It is proposed an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance, if the surface dipolar groups are immersed deep enough in the solvent, and how the long-range oscillative mode disappears when the surface is but weakly solvated

  3. On the Gross–Pitaevskii equation for trapped dipolar quantum gases

    KAUST Repository

    Carles, Rémi

    2008-09-29

    We study the time-dependent Gross-Pitaevskii equation describing Bose-Einstein condensation of trapped dipolar quantum gases. Existence and uniqueness as well as the possible blow-up of solutions are studied. Moreover, we discuss the problem of dimension reduction for this nonlinear and nonlocal Schrödinger equation. © 2008 IOP Publishing Ltd and London Mathematical Society.

  4. Anisotropic relaxation dynamics in a dipolar Fermi gas driven out of equilibrium

    DEFF Research Database (Denmark)

    Aikawa, K.; Frisch, A.; Mark, M.

    2014-01-01

    We report on the observation of a large anisotropy in the rethermalization dynamics of an ultracold dipolar Fermi gas driven out of equilibrium. Our system consists of an ultracold sample of strongly magnetic $^{167}$Er fermions, spin-polarized in the lowest Zeeman sublevel. In this system, elastic...

  5. Simulating three dimensional self-assembly of shape modified particles using magnetic dipolar forces

    NARCIS (Netherlands)

    Alink, Laurens; Marsman, G.H. (Mathijs); Woldering, L.A.; Abelmann, Leon

    2011-01-01

    The feasibility of 3D self-assembly of milli-magnetic particles that interact via magnetic dipolar forces is investigated. Typically magnetic particles, such as isotropic spheres, self-organize in stable 2D configurations. By modifying the shape of the particles, 3D self-assembly may be enabled. The

  6. Micellar dipolar rearrangement is sensitive to hydrophobic chain length: Implication for structural switchover of piroxicam.

    Science.gov (United States)

    Sethy, Dasaratha; Chakraborty, Hirak

    2016-10-01

    The interfacial properties of the membrane are exceptionally vital in drug-membrane interaction. They not only select out a particular prototropic form of the drug molecule for incorporation, but are also potent enough to induce structural switchover of these drugs in several cases. In this work, we quantitatively monitored the change in dipolar rearrangement of the micellar interface (as a simplified membrane mimic) by measuring the dielectric constant and dipole potential with the micellization of SDS at pH 3.6. The dielectric constant and dipole potential were measured utilizing the fluorescence of polarity sensitive probe, pyrene and potential-sensitive probe, di-8-ANEPPS, respectively. Our study demonstrates that the change in dipolar rearrangement directly influences the switchover equilibrium between the anionic and neutral from of piroxicam. We have further extended our work to evaluate the effect of hydrophobic chain length of the surfactants on the dipolar rearrangement and its effect on the structural switchover of piroxicam. It is interesting that the extent of switchover of piroxicam is directly correlated with the dipolar rearrangement induced bythe varying hydrophobic chain length of the surfactants. To the best of our knowledge, our results constitute the first report to show the dependence of dipole potential on the hydrophobic chain length of the surfactant and demonstrate that the dipolar rearrangement directly tunes the extent of structural switchover of piroxicam, which was so far only intuitive. We consider that this new finding would have promising implication in drug distribution and drug efficacy. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  7. The Plasma Sheet as Natural Symmetry Plane for Dipolarization Fronts in the Earth's Magnetotail

    Science.gov (United States)

    Frühauff, D.; Glassmeier, K.-H.

    2017-11-01

    In this work, observations of multispacecraft mission Time History of Events and Macroscale Interactions during Substorms are used for statistical investigation of dipolarization fronts in the near-Earth plasma sheet of the magnetotail. Using very stringent criteria, 460 events are detected in almost 10 years of mission data. Minimum variance analysis is used to determine the normal directions of the phase fronts, providing evidence for the existence of a natural symmetry of these phenomena, given by the neutral sheet of the magnetotail. This finding enables the definition of a local coordinate system based on the Tsyganenko model, reflecting the intrinsic orientation of the neutral sheet and, therefore, the dipolarization fronts. In this way, the comparison of events with very different background conditions is improved. Through this study, the statistical results of Liu, Angelopoulos, Runov, et al. (2013) are both confirmed and extended. In a case study, the knowledge of this plane of symmetry helps to explain the concave curvature of dipolarization fronts in the XZ plane through phase propagation speeds of magnetoacoustic waves. A second case study is presented to determine the central current system of a passing dipolarization front through a constellation of three spacecraft. With this information, a statistical analysis of spacecraft observations above and below the neutral sheet is used to provide further evidence for the neutral sheet as the symmetry plane and the central current system. Furthermore, it is shown that the signatures of dipolarization fronts are under certain conditions closely related to that of flux ropes, indicating a possible relationship between these two transient phenomena.

  8. Contrasting dynamics of electrons and protons in the near-Earth plasma sheet during dipolarization

    Science.gov (United States)

    Malykhin, Andrey Y.; Grigorenko, Elena E.; Kronberg, Elena A.; Koleva, Rositza; Ganushkina, Natalia Y.; Kozak, Ludmila; Daly, Patrick W.

    2018-05-01

    The fortunate location of Cluster and the THEMIS P3 probe in the near-Earth plasma sheet (PS) (at X ˜ -7-9 RE) allowed for the multipoint analysis of properties and spectra of electron and proton injections. The injections were observed during dipolarization and substorm current wedge formation associated with braking of multiple bursty bulk flows (BBFs). In the course of dipolarization, a gradual growth of the BZ magnetic field lasted ˜ 13 min and it was comprised of several BZ pulses or dipolarization fronts (DFs) with duration ≤ 1 min. Multipoint observations have shown that the beginning of the increase in suprathermal ( > 50 keV) electron fluxes - the injection boundary - was observed in the PS simultaneously with the dipolarization onset and it propagated dawnward along with the onset-related DF. The subsequent dynamics of the energetic electron flux was similar to the dynamics of the magnetic field during the dipolarization. Namely, a gradual linear growth of the electron flux occurred simultaneously with the gradual growth of the BZ field, and it was comprised of multiple short ( ˜ few minutes) electron injections associated with the BZ pulses. This behavior can be explained by the combined action of local betatron acceleration at the BZ pulses and subsequent gradient drifts of electrons in the flux pile up region through the numerous braking and diverting DFs. The nonadiabatic features occasionally observed in the electron spectra during the injections can be due to the electron interactions with high-frequency electromagnetic or electrostatic fluctuations transiently observed in the course of dipolarization. On the contrary, proton injections were detected only in the vicinity of the strongest BZ pulses. The front thickness of these pulses was less than a gyroradius of thermal protons that ensured the nonadiabatic acceleration of protons. Indeed, during the injections in the energy spectra of protons the pronounced bulge was clearly observed in a

  9. Spin-orbit-coupled Bose-Einstein condensates of rotating polar molecules

    Science.gov (United States)

    Deng, Y.; You, L.; Yi, S.

    2018-05-01

    An experimental proposal for realizing spin-orbit (SO) coupling of pseudospin 1 in the ground manifold 1Σ (υ =0 ) of (bosonic) bialkali polar molecules is presented. The three spin components are composed of the ground rotational state and two substates from the first excited rotational level. Using hyperfine resolved Raman processes through two select excited states resonantly coupled by a microwave, an effective coupling between the spin tensor and linear momentum is realized. The properties of Bose-Einstein condensates for such SO-coupled molecules exhibiting dipolar interactions are further explored. In addition to the SO-coupling-induced stripe structures, the singly and doubly quantized vortex phases are found to appear, implicating exciting opportunities for exploring novel quantum physics using SO-coupled rotating polar molecules with dipolar interactions.

  10. 1,3-Dipolar cycloaddition reactions of nitrile oxides in the synthesis of natural compounds and their analogues

    International Nuclear Information System (INIS)

    Kotyatkina, Anna I; Zhabinsky, Vladimir N; Khripach, Vladimir A

    2001-01-01

    The published data on the use of 1,3-dipolar cycloaddition reactions of nitrile oxides in the synthesis of natural compounds and their analogues are systematised and reviewed. The bibliography includes 145 references.

  11. Multicomponent synthesis of spiropyrrolidine analogues derived from vinylindole/indazole by a 1,3-dipolar cycloaddition reaction

    Directory of Open Access Journals (Sweden)

    Manjunatha Narayanarao

    2016-12-01

    Full Text Available A new series of spiropyrrolidine compounds containing indole/indazole moieties as side chains have been accomplished via a one-pot multicomponent synthesis. The method uses the 1,3-dipolar cycloaddition reaction between N-alkylvinylindole/indazole and azomethine ylides, prepared in situ from cyclic/acyclic amino acids. The 1,3-dipolar cycloaddition proceeds efficiently under thermal conditions to afford the regio- and stereospecific cyclic adducts.

  12. Arrays of dipolar molecular rotors in Tris(o-phenylenedioxy) cyclotriphosphazene.

    Science.gov (United States)

    Zhao, Ke; Dron, Paul I; Kaleta, Jiří; Rogers, Charles T; Michl, Josef

    2014-01-01

    Regular two-dimensional or three-dimensional arrays of mutually interacting dipolar molecular rotors represent a worthy synthetic objective. Their dielectric properties, including possible collective behavior, will be a sensitive function of the location of the rotors, the orientation of their axes, and the size of their dipoles. Host-guest chemistry is one possible approach to gaining fine control over these factors. We describe the progress that has been achieved in recent years using tris (o-phenylenedioxy)cyclotriphosphazene as a host and a series of rod-shaped dipolar molecular rotors as guests. Structures of both surface and bulk inclusion compounds have been established primarily by solid-state nuclear magnetic resonance (NMR) and powder X-ray diffraction (XRD) techniques. Low-temperature dielectric spectroscopy revealed rotational barriers as low as 1.5 kcal/mol, but no definitive evidence for collective behavior has been obtained so far.

  13. Strongly scale-dependent CMB dipolar asymmetry from super-curvature fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Byrnes, Christian [Department of Physics and Astronomy, University of Sussex, Brighton BN1 9QH (United Kingdom); Domènech, Guillem; Sasaki, Misao [Center for Gravitational Physics, Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Takahashi, Tomo, E-mail: C.Byrnes@sussex.ac.uk, E-mail: guillem.domenech@yukawa.kyoto-u.ac.jp, E-mail: misao@yukawa.kyoto-u.ac.jp, E-mail: tomot@cc.saga-u.ac.jp [Department of Physics, Saga University, Saga 840-8502 (Japan)

    2016-12-01

    We reconsider the observed CMB dipolar asymmetry in the context of open inflation, where a supercurvature mode might survive the bubble nucleation. If such a supercurvature mode modulates the amplitude of the curvature power spectrum, it would easily produce an asymmetry in the power spectrum. We show that current observational data can be accommodated in a three-field model, with simple quadratic potentials and a non-trivial field-space metric. Despite the presence of three fields, we believe this model is so far the simplest that can match current observations. We are able to match the observed strong scale dependence of the dipolar asymmetry, without a fine tuning of initial conditions, breaking slow roll or adding a feature to the evolution of any field.

  14. Low-loss metamaterial electromagnetically induced transparency based on electric toroidal dipolar response

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hai-ming; Liu, Shao-bin, E-mail: lsb@nuaa.edu.cn; Liu, Si-yuan; Ding, Guo-wen; Yang, Hua; Yu, Zhi-yang; Zhang, Hai-feng [Key Laboratory of Radar Imaging and Microwave Photonics, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016 (China); Wang, Shen-yun [Research Center of Applied Electromagnetic, Nanjing University of Information Science and Technology, Nanjing, 210044 (China)

    2015-02-23

    In this paper, a low-loss and high transmission analogy of electromagnetically induced transparency based on electric toroidal dipolar response is numerically and experimentally demonstrated. It is obtained by the excitation of the low-loss electric toroidal dipolar response, which confines the magnetic field inside a dielectric substrate with toroidal geometry. The metamaterial electromagnetically induced transparency (EIT) structure is composed of the cut wire and asymmetric split-ring resonators. The transmission level is as high as 0.88, and the radiation loss is greatly suppressed, which can be proved by the surface currents distributions, the magnetic field distributions, and the imaginary parts of the effective permeability and permittivity. It offers an effective way to produce low-loss and high transmission metamaterial EIT.

  15. Quantum-well exciton dipolar interaction: Polarization-dependence and Z-LT splitting

    International Nuclear Information System (INIS)

    Nguyen Ba An.

    1996-12-01

    We calculate the exciton dipolar interaction in a semiconductor quantum well. The explicit polarization-dependence, i.e, the dependence on both the exciton dipole moment μ-vector and its inplane wavevector k-vector is derived. The obtained results for the three modes (L, T and Z modes) of the long-range part of the dipolar interaction satisfy the polarization sum rule for any parameters. In the long wavelength limit there is a Z-LT splitting which decreases as the well width increases reflecting a crossover from strict 2D to quasi-2D. A rough crossover from quasi-2D to 3D is also described. (author). 18 refs, 4 figs

  16. Critical behaviour of nanocrystalline gadolinium: evidence for random uniaxial dipolar universality class

    International Nuclear Information System (INIS)

    Ferdinand, A; Probst, A-C; Birringer, R; Michels, A; Kaul, S N

    2014-01-01

    We report on how nanocrystal size affects the critical behaviour of the rare-earth metal Gd near the ferromagnetic-to-paramagnetic phase transition. The asymptotic critical behaviour of the coarse-grained polycrystalline sample (with an average crystallite size of L≅100 μm) is that of a (pure) uniaxial dipolar ferromagnet, as is the case with single crystal Gd, albeit the width of the asymptotic critical region (ACR) is reduced. As the grain size approaches ∼30 nm, the ACR is so narrow that it could not be accessed in the present experiments. Inaccessibly narrow ACR for L ∼ 30 nm and continuous increase in the width of the ACR as L decreases from 16 to 9.5 nm basically reflect a crossover to the random uniaxial dipolar fixed point caused by the quenched random exchange disorder prevalent at the internal interfaces (grain boundaries). (paper)

  17. Bound states of Dipolar Bosons in One-dimensional Systems

    DEFF Research Database (Denmark)

    G. Volosniev, A.; R. Armstrong, J.; V. Fedorov, D.

    2013-01-01

    that in the weakly-coupled limit the inter-tube interaction is similar to a zero-range term with a suitable rescaled strength. This allows us to address the corresponding many-body physics of the system by constructing a model where bound chains with one molecule in each tube are the effective degrees of freedom......We consider one-dimensional tubes containing bosonic polar molecules. The long-range dipole-dipole interactions act both within a single tube and between different tubes. We consider arbitrary values of the externally aligned dipole moments with respect to the symmetry axis of the tubes. The few....... This model can be mapped onto one-dimensional Hamiltonians for which exact solutions are known....

  18. A facile regioselective synthesis of novel spiroacenaphthene pyrroloisoquinolines through 1,3-dipolar cycloaddition reactions

    International Nuclear Information System (INIS)

    Sarrafi, Yaghoub; Asghari, Asieh; Sadatshahabi, Marzieh; Hamzehloueian, Mahshid; Alimohammadi, Kamal

    2013-01-01

    An efficient one-pot three-component procedure for the synthesis of novel spiroacenaphthene pyrroloisoquinolines with high regioselectivity is described. These compounds were prepared from 1,3-dipolar cycloaddition of an azomethine ylide generated from acenaphthenequinone and 1,2,3,4-tetrahydroisoquinoline via [1,5]-H shift, with chalcone and nitrostyrene derivatives as dipolarophiles. The structure and stereochemistry of the cycloadducts have been established by single crystal X-ray structure and spectroscopic techniques. (author)

  19. Scaling parallels in the non-Debye dielectric relaxation of ionic glasses and dipolar supercooled liquids

    International Nuclear Information System (INIS)

    Sidebottom, D.L.; Green, P.F.; Brow, R.K.

    1997-01-01

    We compare the dielectric response of ionic glasses and dipolar liquids near the glass transition. Our work is divided into two parts. In the first section we examine ionic glasses and the two prominent approaches to analyzing the dielectric response. The conductivity of ion-conducting glasses displays a power law dispersion σ(ω)∝ω n , where n∼0.67, but frequently the dielectric response is analyzed using the electrical modulus M * (ω)=1/var-epsilon * (ω), where var-epsilon * (ω)=var-epsilon(ω)-iσ(ω)/ω is the complex permittivity. We reexamine two specific examples where the shape of M * (ω) changes in response to changes in (a) temperature and (b) ion concentration, to suggest fundamental changes in ion dynamics are occurring. We show, however, that these changes in the shape of M * (ω) occur in the absence of changes in the scaling properties of σ(ω), for which n remains constant. In the second part, we examine the dielectric relaxation found in dipolar liquids, for which var-epsilon * (ω) likewise exhibits changes in shape on approach to the glass transition. Guided by similarities of M * (ω) in ionic glasses and var-epsilon * (ω) in dipolar liquids, we demonstrate that a recent scaling approach proposed by Dixon and co-workers for var-epsilon * (ω) of dipolar relaxation also appears valid for M * (ω) in the ionic case. While this suggests that the Dixon scaling approach is more universal than previously recognized, we demonstrate how the dielectric response can be scaled in a linear manner using an alternative data representation. copyright 1997 The American Physical Society

  20. Enantioselective 1,3-dipolar cycloadditions of diazoacetates with electron-deficient olefins.

    Science.gov (United States)

    Sibi, Mukund P; Stanley, Levi M; Soeta, Takahiro

    2007-04-12

    [reaction: see text] A general strategy for highly enantioselective 1,3-dipolar cycloaddition of diazoesters to beta-substituted, alpha-substituted, and alpha,beta-disubstituted alpha,beta-unsaturated pyrazolidinone imides is described. Cycloadditions utilizing less reactive alpha,beta-disubstituted dipolarophiles require elevated reaction temperatures, but still provide the corresponding pyrazolines with excellent enantioselectivities. Finally, an efficient synthesis of (-)-manzacidin A employing this cycloaddition methodology as a key step is illustrated.

  1. NMR studies on 1,3-dipolar cycloaddition of nitrile oxides to norbornenes

    International Nuclear Information System (INIS)

    Gucma, Mirosław; Gołębiewski, W. Marek; Krawczyk, Maria

    2013-01-01

    The 1,3-dipolar cycloaddition reaction of nitrile oxides to norbornenes substituted with an acrylate-derived moiety was examined. Only adducts to norbornene system were formed with a good exo selectivity and complete site-selectivity. Structures of the products were elucidated by an extensive application of electrospray ionization-mass spectrometry (ESI-MS) and 2D 1 H and 13 C nuclear magnetic resonance (NMR). (author)

  2. The role of magnetic field fluctuations in nonadiabatic acceleration of ions during dipolarization

    Science.gov (United States)

    Ono, Y.; Nosé, M.; Christon, S. P.; Lui, A. T. Y.

    2009-05-01

    We statistically examine changes in the composition of two different ion species, proton and oxygen ions, in the near-Earth plasma sheet (X = -16 R E ˜ -6 R E ) during substorm-associated dipolarization. We use 10 years of energetic (9-212 keV/e) ion data obtained by the suprathermal ion composition spectrometer (STICS) sensor of the energetic particles and ion composition (EPIC) instrument on board the Geotail spacecraft. The results are as follows: (1) Although the percentage increase in the energy density of O+ ions before and after a dipolarization exceeds that of H+ ions in the low-energy range (9-36 keV/e), this property is not evident in the high-energy range (56-212 keV/e); (2) the energy spectrum of H+ and that of O+ become harder after dipolarization in almost all events; and (3) in some events the energy spectrum of O+ becomes harder than that of H+ as reported by previous studies, and, importantly, in other events, the spectrum of H+ becomes harder than that of O+. In order to investigate what mechanism causes these observational results, we focus on magnetic field fluctuations during dipolarization. It is found that the increase of the spectrum slope is positively correlated with the power of waves whose frequencies are close to the gyrofrequency of H+ or O+, respectively (the correlation coefficient is 0.48 for H+ and 0.68 for O+). In conclusion, ions are nonadiabatically accelerated by the electric field induced by the magnetic field fluctuations whose frequencies are close to their gyrofrequencies.

  3. Long-range dipolar order and dispersion forces in polar liquids

    Science.gov (United States)

    Besford, Quinn Alexander; Christofferson, Andrew Joseph; Liu, Maoyuan; Yarovsky, Irene

    2017-11-01

    Complex solvation phenomena, such as specific ion effects, occur in polar liquids. Interpretation of these effects in terms of structure and dispersion forces will lead to a greater understanding of solvation. Herein, using molecular dynamics, we probe the structure of polar liquids through specific dipolar pair correlation functions that contribute to the potential of mean force that is "felt" between thermally rotating dipole moments. It is shown that unique dipolar order exists at separations at least up to 20 Å for all liquids studied. When the structural order is compared with a dipolar dispersion force that arises from local co-operative enhancement of dipole moments, a strong agreement is found. Lifshitz theory of dispersion forces was compared with the structural order, where the theory is validated for all liquids that do not have significant local dipole correlations. For liquids that do have significant local dipole correlations, specifically liquid water, Lifshitz theory underestimates the dispersion force by a factor of 5-10, demonstrating that the force that leads to the increased structure in liquid water is missed by Lifshitz theory of van der Waals forces. We apply similar correlation functions to an ionic aqueous system, where long-range order between water's dipole moment and a single chloride ion is found to exist at 20 Å of separation, revealing a long-range perturbation of water's structure by an ion. Furthermore, we found that waters within the 1st, 2nd, and 3rd solvation shells of a chloride ion exhibit significantly enhanced dipolar interactions, particularly with waters at larger distances of separation. Our results provide a link between structures, dispersion forces, and specific ion effects, which may lead to a more robust understanding of solvation.

  4. NMR studies on 1,3-dipolar cycloaddition of nitrile oxides to norbornenes

    Energy Technology Data Exchange (ETDEWEB)

    Gucma, Miroslaw; Golebiewski, W. Marek; Krawczyk, Maria, E-mail: golebiewski@ipo.waw.pl [Institute of Industrial Organic Chemistry, Warsaw (Poland)

    2013-05-15

    The 1,3-dipolar cycloaddition reaction of nitrile oxides to norbornenes substituted with an acrylate-derived moiety was examined. Only adducts to norbornene system were formed with a good exo selectivity and complete site-selectivity. Structures of the products were elucidated by an extensive application of electrospray ionization-mass spectrometry (ESI-MS) and 2D {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR). (author)

  5. Observation of plasmonic dipolar anti-bonding mode in silver nanoring structures

    International Nuclear Information System (INIS)

    Ye Jian; Van Dorpe, Pol; Lagae, Liesbet; Borghs, Gustaaf; Maes, Guido

    2009-01-01

    We report on a clear experimental observation of the plasmonic dipolar anti-bonding resonance in silver nanorings. The data can be explained effectively by the plasmon hybridization model, which is confirmed by the numerical calculations of the electromagnetic field and surface charge distribution profiles. The experimental demonstration of the plasmon hybridization model indicates its usefulness as a valuable tool to understand, design and predict optical properties of metallic nanostructures.

  6. Observation of plasmonic dipolar anti-bonding mode in silver nanoring structures

    Energy Technology Data Exchange (ETDEWEB)

    Ye Jian; Van Dorpe, Pol; Lagae, Liesbet; Borghs, Gustaaf [Interuniversity Microelectronics Center (IMEC), Kapeldreef 75, B-3001 Leuven (Belgium); Maes, Guido, E-mail: Jian.Ye@imec.b [Chemistry Department, Katholieke Universiteit Leuven, Celestijnenlaan 200 F, B-3001 Leuven (Belgium)

    2009-11-18

    We report on a clear experimental observation of the plasmonic dipolar anti-bonding resonance in silver nanorings. The data can be explained effectively by the plasmon hybridization model, which is confirmed by the numerical calculations of the electromagnetic field and surface charge distribution profiles. The experimental demonstration of the plasmon hybridization model indicates its usefulness as a valuable tool to understand, design and predict optical properties of metallic nanostructures.

  7. Observation of plasmonic dipolar anti-bonding mode in silver nanoring structures

    Science.gov (United States)

    Ye, Jian; Van Dorpe, Pol; Lagae, Liesbet; Maes, Guido; Borghs, Gustaaf

    2009-11-01

    We report on a clear experimental observation of the plasmonic dipolar anti-bonding resonance in silver nanorings. The data can be explained effectively by the plasmon hybridization model, which is confirmed by the numerical calculations of the electromagnetic field and surface charge distribution profiles. The experimental demonstration of the plasmon hybridization model indicates its usefulness as a valuable tool to understand, design and predict optical properties of metallic nanostructures.

  8. A facile regioselective synthesis of novel spiroacenaphthene pyrroloisoquinolines through 1,3-dipolar cycloaddition reactions

    Energy Technology Data Exchange (ETDEWEB)

    Sarrafi, Yaghoub; Asghari, Asieh; Sadatshahabi, Marzieh, E-mail: ysarrafi@umz.ac.ir [Department of Organic Chemistry, Faculty of Chemistry, University of Mazandaran (Iran, Islamic Republic of); Hamzehloueian, Mahshid [Department of Chemistry, Jouybar Branch, Islamic Azad University, Jouybar (Iran, Islamic Republic of); Alimohammadi, Kamal [Department of Chemistry, Dr. Shariati Branch, University of Farhangian, Sari (Iran, Islamic Republic of)

    2013-12-01

    An efficient one-pot three-component procedure for the synthesis of novel spiroacenaphthene pyrroloisoquinolines with high regioselectivity is described. These compounds were prepared from 1,3-dipolar cycloaddition of an azomethine ylide generated from acenaphthenequinone and 1,2,3,4-tetrahydroisoquinoline via [1,5]-H shift, with chalcone and nitrostyrene derivatives as dipolarophiles. The structure and stereochemistry of the cycloadducts have been established by single crystal X-ray structure and spectroscopic techniques. (author)

  9. Absence of Long-Range Order in a Triangular Spin System with Dipolar Interactions

    Science.gov (United States)

    Keleş, Ahmet; Zhao, Erhai

    2018-05-01

    The antiferromagnetic Heisenberg model on the triangular lattice is perhaps the best known example of frustrated magnets, but it orders at low temperatures. Recent density matrix renormalization group (DMRG) calculations find that the next nearest neighbor interaction J2 enhances the frustration, and it leads to a spin liquid for J2/J1∈(0.08 ,0.15 ). In addition, a DMRG study of a dipolar Heisenberg model with longer range interactions gives evidence for a spin liquid at a small dipole tilting angle θ ∈[0 ,1 0 ° ). In both cases, the putative spin liquid region appears to be small. Here, we show that for the triangular lattice dipolar Heisenberg model, a robust quantum paramagnetic phase exists in a surprisingly wide region, θ ∈[0 ,5 4 ° ) , for dipoles tilted along the lattice diagonal direction. We obtain the phase diagram of the model by functional renormalization group (RG), which treats all magnetic instabilities on equal footing. The quantum paramagnetic phase is characterized by a smooth continuous flow of vertex functions and spin susceptibility down to the lowest RG scale, in contrast to the apparent breakdown of RG flow in phases with stripe or spiral order. Our finding points to a promising direction to search for quantum spin liquids in ultracold dipolar molecules.

  10. Topological defect formation in rotating binary dipolar Bose–Einstein condensate

    International Nuclear Information System (INIS)

    Zhang, Xiao-Fei; Han, Wei; Jiang, Hai-Feng; Liu, Wu-Ming; Saito, Hiroki; Zhang, Shou-Gang

    2016-01-01

    We investigate the topological defects and spin structures of a rotating binary Bose–Einstein condensate, which consists of both dipolar and scalar bosonic atoms confined in spin-dependent optical lattices, for an arbitrary orientation of the dipoles with respect to their plane of motion. Our results show that the tunable dipolar interaction, especially the orientation of the dipoles, can be used to control the direction of stripe phase and its related half-vortex sheets. In addition, it can also be used to obtain a regular arrangement of various topological spin textures, such as meron, circular and cross disgyration spin structures. We point out that such topological defects and regular arrangement of spin structures arise primarily from the long-range and anisotropic nature of dipolar interaction and its competition with the spin-dependent optical lattices and rotation. - Highlights: • Effects of both strength and orientation of the dipoles are discussed. • Various topological defects can be formed in different parameter regions. • Present one possible way to obtain regular arrangements of spin textures.

  11. Quasi-parallel whistler mode waves observed by THEMIS during near-earth dipolarizations

    Science.gov (United States)

    Le Contel, O.; Roux, A.; Jacquey, C.; Robert, P.; Berthomier, M.; Chust, T.; Grison, B.; Angelopoulos, V.; Sibeck, D.; Chaston, C. C.; Cully, C. M.; Ergun, B.; Glassmeier, K.-H.; Auster, U.; McFadden, J.; Carlson, C.; Larson, D.; Bonnell, J. W.; Mende, S.; Russell, C. T.; Donovan, E.; Mann, I.; Singer, H.

    2009-06-01

    We report on quasi-parallel whistler emissions detected by the near-earth satellites of the THEMIS mission before, during, and after local dipolarization. These emissions are associated with an electron temperature anisotropy α=T⊥e/T||e>1 consistent with the linear theory of whistler mode anisotropy instability. When the whistler mode emissions are observed the measured electron anisotropy varies inversely with β||e (the ratio of the electron parallel pressure to the magnetic pressure) as predicted by Gary and Wang (1996). Narrow band whistler emissions correspond to the small α existing before dipolarization whereas the broad band emissions correspond to large α observed during and after dipolarization. The energy in the whistler mode is leaving the current sheet and is propagating along the background magnetic field, towards the Earth. A simple time-independent description based on the Liouville's theorem indicates that the electron temperature anisotropy decreases with the distance along the magnetic field from the equator. Once this variation of α is taken into account, the linear theory predicts an equatorial origin for the whistler mode. The linear theory is also consistent with the observed bandwidth of wave emissions. Yet, the anisotropy required to be fully consistent with the observations is somewhat larger than the measured one. Although the discrepancy remains within the instrumental error bars, this could be due to time-dependent effects which have been neglected. The possible role of the whistler waves in the substorm process is discussed.

  12. Quasi-parallel whistler mode waves observed by THEMIS during near-earth dipolarizations

    Directory of Open Access Journals (Sweden)

    O. Le Contel

    2009-06-01

    Full Text Available We report on quasi-parallel whistler emissions detected by the near-earth satellites of the THEMIS mission before, during, and after local dipolarization. These emissions are associated with an electron temperature anisotropy α=T⊥e/T||e>1 consistent with the linear theory of whistler mode anisotropy instability. When the whistler mode emissions are observed the measured electron anisotropy varies inversely with β||e (the ratio of the electron parallel pressure to the magnetic pressure as predicted by Gary and Wang (1996. Narrow band whistler emissions correspond to the small α existing before dipolarization whereas the broad band emissions correspond to large α observed during and after dipolarization. The energy in the whistler mode is leaving the current sheet and is propagating along the background magnetic field, towards the Earth. A simple time-independent description based on the Liouville's theorem indicates that the electron temperature anisotropy decreases with the distance along the magnetic field from the equator. Once this variation of α is taken into account, the linear theory predicts an equatorial origin for the whistler mode. The linear theory is also consistent with the observed bandwidth of wave emissions. Yet, the anisotropy required to be fully consistent with the observations is somewhat larger than the measured one. Although the discrepancy remains within the instrumental error bars, this could be due to time-dependent effects which have been neglected. The possible role of the whistler waves in the substorm process is discussed.

  13. Bose-Einstein condensation and study of inelastic collisions due to dipolar interactions

    International Nuclear Information System (INIS)

    Beaufils, Q.

    2009-01-01

    Its large magnetic moment in the ground state makes chromium a good candidate for the study of dipolar interactions in a degenerate gas. We have built an experimental setup for trapping and cooling atoms of "5"2Cr down to Bose-Einstein condensation (BEC). Evaporative cooling takes place in a purely optical trap, which is loaded from the magneto-optical trap using a novel process of continuous accumulation of metastable states. We produce a condensate of typically 15000 atoms in a time of 15 s. We have studied the possibility to bring all the Zeeman substates of a chromium BEC to degeneracy in a non-zero static magnetic field, using a radiofrequency (rf) magnetic field, and demonstrated a new process of rf-assisted dipolar relaxation. We have also studied a narrow Feshbach resonance induced by dipolar interaction, which implies a d-wave collisional channel. We analyzed this resonance in the presence of a rf magnetic field and we reinterpreted rf association of molecules as a mere Feshbach resonance between rf dressed states. Finally, we have set up an optical lattice in the perspective of studying the effects of dipole-dipole interactions in reduced dimension. (author)

  14. Nonlinear localized modes in dipolar Bose-Einstein condensates in optical lattices

    International Nuclear Information System (INIS)

    Rojas-Rojas, S.; Vicencio, R. A.; Molina, M. I.; Abdullaev, F. Kh.

    2011-01-01

    Modulational instability and discrete matter wave solitons in dipolar BECs, loaded into a deep optical lattice, are investigated analytically and numerically. The process of modulational instability of nonlinear plane matter waves in a dipolar nonlinear lattice is studied and the regions of instability are established. The existence and stability of bulk discrete solitons are analyzed analytically and confirmed by numerical simulations. In marked contrast with the usual discrete nonlinear Schroedinger behavior (no dipolar interactions), we found a region where the two fundamental modes are simultaneously unstable, allowing enhanced mobility across the lattice for large norm values. To study the existence and properties of surface discrete solitons, an analysis of the dimer configuration is performed. The properties of symmetric and antisymmetric modes including stability diagrams and bifurcations are investigated in closed form. For the case of a bulk medium, properties of fundamental on-site and intersite localized modes are analyzed. On-site and intersite surface localized modes are studied, and we find that they do not exist when nonlocal interactions predominate with respect to local ones.

  15. Phase transitions to dipolar clusters and charge density waves in high T{sub c} superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Saarela, M., E-mail: Mikko.Saarela@oulu.fi [Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014 (Finland); Kusmartsev, F.V. [Department of Physics, Loughborough University, LE11 3TU (United Kingdom)

    2017-02-15

    We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.

  16. Tuning dipolar magnetic interactions by controlling individual silica coating of iron oxide nanoparticles

    Science.gov (United States)

    Rivas Rojas, P. C.; Tancredi, P.; Moscoso Londoño, O.; Knobel, M.; Socolovsky, L. M.

    2018-04-01

    Single and fixed size core, core-shell nanoparticles of iron oxides coated with a silica layer of tunable thickness were prepared by chemical routes, aiming to generate a frame of study of magnetic nanoparticles with controlled dipolar interactions. The batch of iron oxides nanoparticles of 4.5 nm radii, were employed as cores for all the coated samples. The latter was obtained via thermal decomposition of organic precursors, resulting on nanoparticles covered with an organic layer that was subsequently used to promote the ligand exchange in the inverse microemulsion process, employed to coat each nanoparticle with silica. The amount of precursor and times of reaction was varied to obtain different silica shell thicknesses, ranging from 0.5 nm to 19 nm. The formation of the desired structures was corroborated by TEM and SAXS measurements, the core single-phase spinel structure was confirmed by XRD, and superparamagnetic features with gradual change related to dipolar interaction effects were obtained by the study of the applied field and temperature dependence of the magnetization. To illustrate that dipolar interactions are consistently controlled, the main magnetic properties are presented and analyzed as a function of center to center minimum distance between the magnetic cores.

  17. Phase transitions to dipolar clusters and charge density waves in high T_c superconductors

    International Nuclear Information System (INIS)

    Saarela, M.; Kusmartsev, F.V.

    2017-01-01

    We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.

  18. Covalent Coupling of Nanoparticles with Low-Density Functional Ligands to Surfaces via Click Chemistry

    NARCIS (Netherlands)

    Rianasari, I.; de Jong, Machiel Pieter; Huskens, Jurriaan; van der Wiel, Wilfred Gerard

    2013-01-01

    We demonstrate the application of the 1,3-dipolar cycloaddition (“click‿ reaction) to couple gold nanoparticles (Au NPs) functionalized with low densities of functional ligands. The ligand coverage on the citrate-stabilized Au NPs was adjusted by the ligand:Au surface atom ratio, while maintaining

  19. Anisotropic semivortices in dipolar spinor condensates controlled by Zeeman splitting

    Science.gov (United States)

    Liao, Bingjin; Li, Shoubo; Huang, Chunqing; Luo, Zhihuan; Pang, Wei; Tan, Haishu; Malomed, Boris A.; Li, Yongyao

    2017-10-01

    Spatially anisotropic solitary vortices, i.e., bright anisotropic vortex solitons (AVSs), supported by anisotropic dipole-dipole interactions, were recently predicted in spin-orbit-coupled binary Bose-Einstein condensates (BECs), in the form of two-dimensional semivortices (complexes built of zero-vorticity and vortical components). We demonstrate that the shape of the AVSs—horizontal or vertical, with respect to the in-plane polarization of the atomic dipole moments in the underlying BEC—may be effectively controlled by the strength Ω of the Zeeman splitting (ZS). A transition from the horizontal to vertical shape with the increase of Ω is found numerically and explained analytically. At the transition point, the AVS assumes the shape of an elliptical ring. The mobility of horizontal AVSs is studied, too, with the conclusion that, with the increase of Ω , their negative effective mass changes the sign to positive via a point at which the effective mass diverges. Lastly, we report a new species of inverted AVSs, with the zero-vorticity and vortex component placed in lower- and higher-energy components, as defined by the ZS. They are excited states, with respect to the ground states provided by the usual AVSs. Quite surprisingly, inverted AVSs are stable in a large parameter region.

  20. Spin Diffusion and Spin Lattice Relaxation of Dipolar Order in Solids Containing Paramagnetic Impurities

    International Nuclear Information System (INIS)

    Furman, G.B.; Panich, A.M.; Goren, S.D.

    1998-01-01

    The phenomena of spin diffusion and spin lattice relaxation of nuclear dipolar order in solids containing paramagnetic impurities (PI) is considered. We show that at the beginning of the relaxation process the diffusion vanishing regime realizes with non-exponential time dependence, R(t) ∼ exp [- (t/T 1d ) α ], where T 1d ∼ C p -1/α , C p is PI's concentration. For a homogeneous distribution of Pis and nuclear spins, α=Q/6, where Q is the sample dimensionality; for an inhomogeneous distribution, the sample is divided into q-dimensional subsystems, each containing one PI, yield- ing α= (Q + q) /6. This result coincides with experimental data for CaF 2 doped with 0.8 - 10 -3 ωt % of Mn 2+ , where the non-exponential decay of the dipolar signal with α= 0.83 has been observed [3]. Fitting the experimental data yields a good agreement with T 1d = 66 ms . For another independent check of the obtained results we use dependence of the relaxation time on impurities concentration. In accordance that 1/α=1.2 , we have T 1d ∼ C p -1 '. 2 . Exactly this dependence on impurity concentration of the relaxation time has been found in the experiment. Then the relaxation regime starts as a non-exponential time dependent, proceed asymptotically to an to an exponential function of time, to so called diffusion limited relaxation regime with relaxation time T 1d D is inversely depends on impurities concentration. This kind of relaxation behavior of the dipolar order takes place in the experiment [2]. Using experimental results [2] from this two regime we can estimate the diffusion coefficient of the nuclear dipolar order in CaF 2 , which gives for typical values of impurity concentration C p ∼ 10 18 cm 3 the diffusion coefficient of dipolar order in the interval D ∼ 10 -11 -i- 10 -12 cm 2 /sec which is coincide to the case of Zeeman energy spin diffusion

  1. Generalized valence bond description of the ground states (X(1)Σg(+)) of homonuclear pnictogen diatomic molecules: N2, P2, and As2.

    Science.gov (United States)

    Xu, Lu T; Dunning, Thom H

    2015-06-09

    The ground state, X1Σg+, of N2 is a textbook example of a molecule with a triple bond consisting of one σ and two π bonds. This assignment, which is usually rationalized using molecular orbital (MO) theory, implicitly assumes that the spins of the three pairs of electrons involved in the bonds are singlet-coupled (perfect pairing). However, for a six-electron singlet state, there are five distinct ways to couple the electron spins. The generalized valence bond (GVB) wave function lifts this restriction, including all of the five spin functions for the six electrons involved in the bond. For N2, we find that the perfect pairing spin function is indeed dominant at Re but that it becomes progressively less so from N2 to P2 and As2. Although the perfect pairing spin function is still the most important spin function in P2, the importance of a quasi-atomic spin function, which singlet couples the spins of the electrons in the σ orbitals while high spin coupling those of the electrons in the π orbitals on each center, has significantly increased relative to N2 and, in As2, the perfect pairing and quasi-atomic spin couplings are on essentially the same footing. This change in the spin coupling of the electrons in the bonding orbitals down the periodic table may contribute to the rather dramatic decrease in the strengths of the Pn2 bonds from N2 to As2 as well as in the increase in their chemical reactivity and should be taken into account in more detailed analyses of the bond energies in these species. We also compare the spin coupling in N2 with that in C2, where the quasi-atomic spin coupling dominants around Re.

  2. Quasi-parallel whistler mode waves observed by THEMIS during near-earth dipolarizations

    Directory of Open Access Journals (Sweden)

    O. Le Contel

    2009-06-01

    Full Text Available We report on quasi-parallel whistler emissions detected by the near-earth satellites of the THEMIS mission before, during, and after local dipolarization. These emissions are associated with an electron temperature anisotropy α=Te/T||e>1 consistent with the linear theory of whistler mode anisotropy instability. When the whistler mode emissions are observed the measured electron anisotropy varies inversely with β||e (the ratio of the electron parallel pressure to the magnetic pressure as predicted by Gary and Wang (1996. Narrow band whistler emissions correspond to the small α existing before dipolarization whereas the broad band emissions correspond to large α observed during and after dipolarization. The energy in the whistler mode is leaving the current sheet and is propagating along the background magnetic field, towards the Earth. A simple time-independent description based on the Liouville's theorem indicates that the electron temperature anisotropy decreases with the distance along the magnetic field from the equator. Once this variation of α is taken into account, the linear theory predicts an equatorial origin for the whistler mode. The linear theory is also consistent with the observed bandwidth of wave emissions. Yet, the anisotropy required to be fully consistent with the observations is somewhat larger than the measured one. Although the discrepancy remains within the instrumental error bars, this could be due to time-dependent effects which have been neglected. The possible role of the whistler waves in the substorm process is discussed.

  3. Different approaches to analyze the dipolar interaction effects on diluted and concentrated granular superparamagnetic systems

    Energy Technology Data Exchange (ETDEWEB)

    Moscoso-Londoño, O., E-mail: omoscoso@ifi.unicamp.br [Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas (UNICAMP), CEP13083-859 Campinas, São Paulo (Brazil); Tancredi, P. [Laboratorio de Sólidos Amorfos, INTECIN, Facultad de Ingeniería, Universidad de Buenos Aires (UBA), CONICET, C1063ACV Buenos Aires (Argentina); Muraca, D. [Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas (UNICAMP), CEP13083-859 Campinas, São Paulo (Brazil); Centro de Ciencias Naturais e Humanas, Universidade Federal do ABC (UFABC), Av. Dos Estados, 5001, Santo André, SP (Brazil); Mendoza Zélis, P.; Coral, D.; Fernández van Raap, M.B. [Instituto de Física, Universidad Nacional de La Plata (UNLP), CONICET, CC.67, 1900 La Plata, Buenos Aires (Argentina); Wolff, U.; Neu, V.; Damm, C. [IFW Dresden, Leibniz Institute for Solid State and Materials Research, Dresden, Helmholtzstrasse 20, 01069 Dresden (Germany); Oliveira, C.L.P. de [Instituto de Física, Universidade de São Paulo, São Paulo 05314970 (Brazil); Pirota, K.R. [Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas (UNICAMP), CEP13083-859 Campinas, São Paulo (Brazil); and others

    2017-04-15

    Controlled magnetic granular materials with different concentrations of magnetite nanoparticles immersed in a non-conducting polymer matrix were synthesized and, their macroscopic magnetic observables analyzed in order to advance towards a better understanding of the magnetic dipolar interactions and its effects on the obtained magnetic parameters. First, by means of X-ray diffraction, transmission electron microscopy, small angle X-ray scattering and X-ray absorption fine structure an accurate study of the structural properties was carried out. Then, the magnetic properties were analyzed by means of different models, including those that consider the magnetic interactions through long-range dipolar forces as: the Interacting Superparamagnetic Model (ISP) and the Vogel-Fulcher law (V-F). In systems with larger nanoparticle concentrations, magnetic results clearly indicate that the role played by the dipolar interactions affects the magnetic properties, giving rise to obtaining magnetic and structural parameters without physical meaning. Magnetic parameters as the effective anisotropic constant, magnetic moment relaxation time and mean blocking temperature, extracted from the application of the ISP model and V-F Law, were used to simulate the zero-field-cooling (ZFC) and field-cooling curves (FC). A comparative analysis of the simulated, fitted and experimental ZFC/FC curves suggests that the current models depict indeed our dilute granular systems. Notwithstanding, for concentrated samples, the ISP model infers that clustered nanoparticles are being interpreted as single entities of larger magnetic moment and volume, effect that is apparently related to a collective and complex magnetic moment dynamics within the cluster. - Highlights: • Nanoparticle architecture into matrices determines the composite magnetic response. • Magnetically diluted or compacted systems are useful to study magnetism at nanoscale. • Particle aggregation into the matrices was examined

  4. Ultrafast responses of dipolar and octupolar compounds with dipicolinate as an electron acceptor

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yaochuan, E-mail: ycwang@dlmu.edu.cn [Department of Physics, Dalian Maritime University, Dalian 116026 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Liu, Siyuan; Liu, Dajun; Wang, Guiqiu [Department of Physics, Dalian Maritime University, Dalian 116026 (China); Xiao, Haibo [Department of Chemistry, Shanghai Normal University, Shanghai 200234 (China)

    2016-11-01

    Two dipolar compounds with dipicolinate as electron acceptor group named trans-dimethyl-4-[4’-(N,N-dimethylamino)-styry1]-pyridin-2,6-dicarboxylate (M-1), trans-dimethyl-4-[4'-(N,N-diphenylamino)-styry1]-pyridin-2,6-dicarboxylate (P-1) as well as a P-1 based multi-branched octupolar compound {4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl) vinyl]}-N,N-bis{4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl)vinylphenyl]} aniline (P-3) with intense two-photon fluorescence emission properties are systematically investigated by using steady-state absorption and fluorescence spectroscopy, Z-scan, and two-photon excited fluorescence (TPF) method. The two-photon absorption cross section of octupolar compound P-3 in THF solution is determined to be 376 GM, which is approximately 12 times greater than that of dipolar counterpart P-1 (32 GM). Transient absorption spectroscopy is employed to investigate the excited state dynamics of the dipolar and octupolar compounds. The formation and relaxation lifetimes of the intra-molecular charge transfer (ICT) state are determined to be in the ranges of several picoseconds and several-hundreds of picoseconds, respectively, for all the three compounds in THF solutions. An extended π-conjugated system and increased intra-molecular cooperative effect are responsible for the observed large two-photon absorption character. - Highlights: • Octupolar compound gain 12-fold enhancement of two photon absorption. • Dynamic properties of intra-molecular charge transfer state are determined. • Cooperative effect is responsible for great increase of two photon character.

  5. Off-equatorial current-driven instabilities ahead of approaching dipolarization fronts

    Science.gov (United States)

    Zhang, Xu; Angelopoulos, V.; Pritchett, P. L.; Liu, Jiang

    2017-05-01

    Recent kinetic simulations have revealed that electromagnetic instabilities near the ion gyrofrequency and slightly away from the equatorial plane can be driven by a current parallel to the magnetic field prior to the arrival of dipolarization fronts. Such instabilities are important because of their potential contribution to global electromagnetic energy conversion near dipolarization fronts. Of the several instabilities that may be consistent with such waves, the most notable are the current-driven electromagnetic ion cyclotron instability and the current-driven kink-like instability. To confirm the existence and characteristics of these instabilities, we used observations by two Time History of Events and Macroscale Interactions during Substorms satellites, one near the neutral sheet observing dipolarization fronts and the other at the boundary layer observing precursor waves and currents. We found that such instabilities with monochromatic signatures are rare, but one of the few cases was selected for further study. Two different instabilities, one at about 0.3 Hz and the other at a much lower frequency, 0.02 Hz, were seen in the data from the off-equatorial spacecraft. A parallel current attributed to an electron beam coexisted with the waves. Our instability analysis attributes the higher-frequency instability to a current-driven ion cyclotron instability and the lower frequency instability to a kink-like instability. The current-driven kink-like instability we observed is consistent with the instabilities observed in the simulation. We suggest that the currents needed to excite these low-frequency instabilities are so intense that the associated electron beams are easily thermalized and hence difficult to observe.

  6. Absolute carrier phase effects in the two-color excitation of dipolar molecules

    International Nuclear Information System (INIS)

    Brown, Alex; Meath, W.J.; Kondo, A.E.

    2002-01-01

    The pump-probe excitation of a two-level dipolar (d≠0) molecule, where the pump frequency is tuned to the energy level separation while the probe frequency is extremely small, is examined theoretically as an example of absolute phase control of excitation processes. The state populations depend on the probe field's absolute carrier phase but are independent of the pump field's absolute carrier phase. Interestingly, the absolute phase effects occur for pulse durations much longer and field intensities much weaker than those required to see such effects in single pulse excitation

  7. Fluctuation-dissipation theorem in an isolated system of quantum dipolar bosons after a quench.

    Science.gov (United States)

    Khatami, Ehsan; Pupillo, Guido; Srednicki, Mark; Rigol, Marcos

    2013-08-02

    We examine the validity of fluctuation-dissipation relations in isolated quantum systems taken out of equilibrium by a sudden quench. We focus on the dynamics of trapped hard-core bosons in one-dimensional lattices with dipolar interactions whose strength is changed during the quench. We find indications that fluctuation-dissipation relations hold if the system is nonintegrable after the quench, as well as if it is integrable after the quench if the initial state is an equilibrium state of a nonintegrable Hamiltonian. On the other hand, we find indications that they fail if the system is integrable both before and after quenching.

  8. Synthesis and 1,3-Dipolar Cycloaddition Reactions of Chiral Maleimides

    Directory of Open Access Journals (Sweden)

    Lubor Fisera

    1997-02-01

    Full Text Available New routes to the synthesis of various novel chiral maleimides are described. The oxabicyclic anhydride 2 readily available exo-Diels-Alder adduct of furan and maleic anhydride was used as a vehicle, which in turn reacted with hydrochlorides of amino acids 3a-f in the presence of Et3N with release of furan to give the requisite novel chiral imides 4a-f in good to moderate yields. The stereoselectivity of 1,3-dipolar cycloaddition of nitrile oxides with prepared chiral imides 4a-f is investigated.

  9. Triazol-substituted titanocenes by strain-driven 1,3-dipolar cycloadditions

    Directory of Open Access Journals (Sweden)

    Andreas Gansäuer

    2014-07-01

    Full Text Available An operationally simple, convenient, and mild strategy for the synthesis of triazole-substituted titanocenes via strain-driven 1,3-dipolar cycloadditions between azide-functionalized titanocenes and cyclooctyne has been developed. It features the first synthesis of titanocenes containing azide groups. These compounds constitute ‘second-generation’ functionalized titanocene building blocks for further synthetic elaboration. Our synthesis is modular and large numbers of the complexes can in principle be prepared in short periods of time. Some of the triazole-substituted titanocenes display high cyctotoxic activity against BJAB cells. Comparison of the most active complexes allows the identification of structural features essential for biological activity.

  10. Characteristics of ion distribution functions in dipolarizing flux bundles: Event studies

    Science.gov (United States)

    Runov, A.; Angelopoulos, V.; Artemyev, A.; Birn, J.; Pritchett, P. L.; Zhou, X.-Z.

    2017-06-01

    Taking advantage of multipoint observations from a repeating configuration of the five Time History of Events and Macroscale Interactions during Substorms (THEMIS) probes separated by 1 to 2 Earth radii (RE) along X, Y, and Z in the geocentric solar magnetospheric system (GSM), we study ion distribution functions collected by the probes during three dipolarizing flux bundle (DFB) events observed at geocentric distances 9 energy and twice the thermal energy, although the distribution in the ambient plasma sheet was isotropic. The anisotropic ion distribution in DFBs injected toward the inner magnetosphere may provide the free energy for waves and instabilities, which are important elements of particle energization.

  11. Fluctuation and dipolar interaction effects on the pinning of domain walls

    International Nuclear Information System (INIS)

    Chui, S.T.

    2001-01-01

    We discuss the effect of the dipolar interaction on the pinning of domain walls. Domain walls are usually pinned near the boundaries between grains. Magnetic charges accumulated at the domain wall make the wall more unstable and easier to depin. We discuss how the grain-orientation and thermal fluctuations affect these magnetic charges and hence the depinning of the domain walls. Our results are illustrated by finite temperature Monte Carlo simulation on periodic arrays of large cells separated by walls consisting of faces of pyramids

  12. New fluorescent dipolar pyrazine derivatives for non-doped red organic light-emitting diodes

    International Nuclear Information System (INIS)

    Gao Baoxiang; Zhou Quanguo; Geng Yanhou; Cheng Yanxiang; Ma Dongge; Xie Zhiyuan; Wang Lixiang; Wang Fosong

    2006-01-01

    Dipolar fluorescent compounds containing electron-accepting pyrazine-2,3-dicarbonitrile and electron-donating arylamine moiety have been designed and synthesized. The optical and electrochemical properties of these compounds can be adjusted by changing π-bridge length and the donor (D) strength. Organic light-emitting devices based on these compounds are fabricated. Saturated red emission of (0.67, 0.33) and the external quantum efficiency as high as 1.41% have been demonstrated for one of these compounds

  13. Anisotropic properties of phase separation in two-component dipolar Bose-Einstein condensates

    Science.gov (United States)

    Wang, Wei; Li, Jinbin

    2018-03-01

    Using Crank-Nicolson method, we calculate ground state wave functions of two-component dipolar Bose-Einstein condensates (BECs) and show that, due to dipole-dipole interaction (DDI), the condensate mixture displays anisotropic phase separation. The effects of DDI, inter-component s-wave scattering, strength of trap potential and particle numbers on the density profiles are investigated. Three types of two-component profiles are present, first cigar, along z-axis and concentric torus, second pancake (or blood cell), in xy-plane, and two non-uniform ellipsoid, separated by the pancake and third two dumbbell shapes.

  14. S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments

    Czech Academy of Sciences Publication Activity Database

    Novák, P.; Žídek, L.; Motáčková, V.; Padrta, P.; Švenková, Alžběta; Nuzillard, J.-M.; Krásný, Libor; Sklenář, V.

    2010-01-01

    Roč. 46, č. 2 (2010), s. 191-197 ISSN 0925-2738 R&D Projects: GA ČR GA204/09/0583 Institutional research plan: CEZ:AV0Z50200510 Keywords : Software * Sparky * Residual dipolar couplings Subject RIV: EE - Microbiology, Virology Impact factor: 3.047, year: 2010

  15. Dispersion characteristics of electromagnetic waves in dipolar (m=±1) modes travelling along a magnetized plasma column

    International Nuclear Information System (INIS)

    Benova, E.; Ghanashev, I.; Zhelyazkov, I.

    1992-01-01

    The modelling of isotropic plasma columns sustained by travelling electromagnetic waves in the dipolar mode (angular dependence exp imφ, m=±1) shows that the m=±1 modes have identical dispersion characteristics. In the presence of an external static magnetic field, however, the modes behave rather differently. This observation arose in studying the axial structures of magnetized plasma columns surrounded by vacuum and produced by travelling electromagnetic waves in the dipolar modes. We examine the propagation of electromagnetic waves along a homogeneous cold plasma column of radius R and electron number density n immersed in an axial constant magnetic field. (author) 3 refs., 3 figs

  16. Energy conversion and dissipation at dipolarization fronts: Theory, modeling and MMS observations

    Science.gov (United States)

    Sitnov, M. I.; Motoba, T.; Merkin, V. G.; Ohtani, S.; Cohen, I. J.; Mauk, B.; Vines, S. K.; Anderson, B. J.; Moore, T. E.; Torbert, R. B.; Giles, B. L.; Burch, J. L.

    2017-12-01

    Magnetic reconnection is one of the most important energy conversion mechanisms in space plasmas. In the classical picture it converts the energy of antiparallel magnetic fields into the kinetic and thermal energy of accelerated plasma particles in reconnection exhausts. It also involves energy dissipation near the X-line. This classical picture may be substantially modified in real space plasma configurations, such as the dayside magnetopause and the magnetotail. In particular, in the magnetotail the flows of accelerated particles may be strongly asymmetric along the tail with the domination of earthward flows. At the same time, strong energy conversion and even dissipation may occur away from the X-line, in particular, at dipolarization fronts. Here we present a theoretical picture of spontaneous magnetotail reconnection based on 3-D PIC simulations with the focus on plasma bulk flows, energy conversion and dissipation. This picture is compared with some observations from the MMS tail season. An important finding from these observations is that dipolarizations fronts may not only be regions of the total energy conversion with jE>0, but they may also be the sites of energy dissipation, both positive (jE'>0, E' is the electric field E in the system moving with one of the plasma species) and negative (jE'braking).

  17. Dipolar flow theory of the universe in relation to astronomical observations and universe axis

    International Nuclear Information System (INIS)

    Mullick, U.P.

    1975-01-01

    An attempt has been made to establish Dipolar continuous flow theory of the universe through corroborations from astronomical observations of the positions of nebulae made earlier by astronomers. It is shown that the line through groups of nebulae in Nubecula Major in Southern Sky Region 5, passing through Earth points towards the near side pole A of the universe. Also the angles the plane parallel to universe polar plane x-x and passing through Earth, makes with the Milky Way disc is about 70 0 towards universe pole B, and about 110 0 towards nearside universe pole A. It is also shown that the two nebulae M 31 and M 33 and the groups of nebulae in Megallenic clouds, in Nebecula Major are between planes passing through universe equatorial axis y-y and plant Ysub(E)-Ysub(E) passing through Earth and parallel to universe equatorial plane Y-Y. Besides, the huge red star Betelgeux and the great Nebula in Orion in sky Region 9 are also between these two planes. These observations the author claims accord with his Dipolar Theory. (author)

  18. Effect of Dipolar Interactions on the Magnetization of Single-Molecule Magnets in a cubic lattice

    Science.gov (United States)

    Alcantara Ortigoza, Marisol

    2005-03-01

    Since the one-body tunnel picture of single-molecule magnets (SMM) is not always sufficient to explain the fine structure of experimental hysteresis loops, the effect of intermolecular dipolar interactions has been investigated on an ensemble of 100 3D-systems of 5X5X4 particles, each with spin S = 5, arranged in a cubic lattice. We have solved the Landau-Lifshitz-Gilbert equation for several values of the damping constant, the field sweep rate and the lattice constant. We find that the smaller the damping constant is, the stronger the maximum field needs to be to produce hysteresis. Furthermore, the shape of the hysteresis loops also depends on the damping constant. We also find that the system magnetizes and demagnetizes faster with decreasing sweep rates, resulting in smaller hysteresis loops. Variations of the lattice constant within realistic values (1.5nm and 2.5nm) show that the dipolar interaction plays an important role in magnetic hysteresis by controlling the relaxation process. Examination of temperature dependencies (0.1K and 0.7K) of the above will be presented and compared with recent experimental data on SMM.

  19. Characteristics of high-latitude precursor flows ahead of dipolarization fronts

    Science.gov (United States)

    Li, Jia-Zheng; Zhou, Xu-Zhi; Runov, Andrei; Angelopoulos, Vassilis; Liu, Jiang; Pan, Dong-Xiao; Zong, Qiu-Gang

    2017-05-01

    Dipolarization fronts (DFs), earthward propagating structures in the magnetotail current sheet characterized by sharp enhancements of northward magnetic field, are capable of converting electromagnetic energy into particle kinetic energy. The ions previously accelerated and reflected at the DFs can contribute to plasma flows ahead of the fronts, which have been identified as DF precursor flows in both the near-equatorial plasma sheet and far from it, near the plasma sheet boundary. Using observations from the THEMIS (Time History of Events and Macroscale Interactions during Substorms) spacecraft, we show that the earthward particle and energy flux enhancements ahead of DFs are statistically larger farther away from the neutral sheet (at high latitudes) than in the near-equatorial region. High-latitude particle and energy fluxes on the DF dawnside are found to be significantly greater than those on the duskside, which is opposite to the dawn-dusk asymmetries previously found near the equatorial region. Using forward and backward tracing test-particle simulations, we then explain and reproduce the observed latitude-dependent characteristics of DF precursor flows, providing a better understanding of ion dynamics associated with dipolarization fronts.

  20. Supra Arcade Downflows with XRT Informed by Dipolarization Fronts with THEMIS

    Science.gov (United States)

    Kobelski, Adam; Savage, Sabrina L.; Malaspina, David M.

    2016-01-01

    Magnetic reconnection can rapidly reconfigure the magnetic field of the corona, accelerating plasma through the site of reconnection. Ambiguities due to the nature of remote sensing have complicated the interpretation of observations of the inflowing and outflowing plasma in reconnecting regions. In particular, the interpretation of sunward moving density depletions above flare arcades (known as Supra Arcade Downflows - SADs) is still debated. Hinode/XRT has provided a wealth of observations for SADs and helped inform our current understanding of these structures. SADs have been interpreted as wakes behind newly reconnected and outflowing loops (Supra Arcade Downflowing Loops - SADLs). Models have shown the plausibility of this interpretation, though this interpretation has not yet been fully accepted. We present here observations of newly reconnected outflowing loops observed via in situ instruments in the magnetosphere. These observations, provided by five THEMIS spacecraft, show that around retracting loops (dipolarization fronts in this context) similar dynamic temperature and density structures are found as seen in SADs. We compare data from multiple SADs and dipolarization fronts to show that the observational signatures implied in the corona can be directly observed in similar plasma regimes in the magnetosphere, strongly favoring the interpretation of SADs as wakes behind retracting loops.

  1. Hexa pyranoside homologation: use of spectral width narrowing, and the chemical shift homonuclear correlation for characterization of the 4,6-0-benzylidene-2,3-di des oxy-3-C-hydroxymethyl-{alpha}-D-methyl ribopyranoside; Homologacao de hexopiranosideos: utilizacao de reducao da largura espectral e de correlacao homonuclear de deslocamentos quimicos para a caracterizacao do 4,6-O-benzilideno-2,3-didesoxi-3-C-hidroximetil-{alpha}-D- ribopiranosideo de metila (7)

    Energy Technology Data Exchange (ETDEWEB)

    Souza Filho, J D; Silva, L.G. Fonseca e; Oliveira, A Braga de; Alves, R Jose [Minas Gerais Univ., Belo Horizonte, MG (Brazil); Lukacs, G [Centre National de la Recherche Scientifique (CNRS), 91 - Gif-sur-Yvette (France). Inst. de Chimie des Substances Naturelles

    1992-12-31

    The discovery of ramified sugars as various antibiotics constituents, leads to the development of various preparation technologies. In the framework of hexapiranose analogues synthesis, the alcohol-7 was the intermediary on which functional group interconversion reactions were performed. The carbonyl group reduction with Na B H{sub 4} in MeOH{sup 5} was performed, for obtaining the ethyl alcohol-6 a (99%). Later on, the reaction of stereoselective reduction of the double binding between C-2 and C-3 was conducted in presence of Ni-Ra in Ac O Et, allowing to obtain the two epimer 7 and 7 a alcohols, with 86.9 and 7.5% yield respectively. The 7 {sup 1} H NMR signals were easily assigned by analysing the extended spectrum obtained by narrowing the spectral line. In accordance with predictable multiplicity and H-6{alpha} (Triplet at 3.7 ppm) patterns, the triple doublet H-5, at 4.1 ppm has been assigned. The assignments were confirmed by a chemical shift homonuclear correlation experiment (COSY H-H). H-7, H-7{sup `} and H-4 have been assigned through the H-3. The use of hydroxyl proton as reference (d d, 2.72 ppm) allowed the confirmation of the chemical shift assigned to H-7 and H-7{sup `} 5 refs., 6 figs.

  2. Dynamic effects of dipolar interactions on the magnetic behavior of magnetite nanoparticles

    Science.gov (United States)

    Allia, Paolo; Tiberto, Paola

    2011-12-01

    Isothermal magnetization and initial dc susceptibility of spheroidal, nearly monodisperse magnetite nanoparticles (typical diameter: 8 nm) prepared by a standard thermo-chemical route have been measured between 10 and 300 K. The samples contained magnetite nanoparticles in the form of either a dried powder (each nanoparticle being surrounded by a stable oleic acid shell as a result of the preparation procedure) or a solid dispersion in PEGDA-600 polymer; different nanoparticle (NP) concentrations in the polymer were studied. In all samples the NPs were not tightly agglomerated nor their ferromagnetic cores were directly touching. The high-temperature inverse magnetic susceptibility is always found to follow a linear law as a function of T, crossing the horizontal axis at negative temperatures ranging from 175 to about 1,000 K. The deviation from the standard superparamagnetic behavior is related to dipolar interaction among NPs; however, a careful analysis makes it hard to conclude that such a behavior originates from a dominant antiferromagnetic character of the interaction. The results are well explained considering that the studied samples are in the interacting superparamagnetic (ISP) regime. The ISP model is basically a mean field theory which allows one to straightforwardly account for the role of magnetic dipolar interaction in a NP system. The model predicts the existence of specific scaling laws for the reduced magnetization which have been confirmed in all studied samples. The interaction of each magnetic dipole moment with the local, random dipolar field produced by the other dipoles results in the presence of a large fluctuating energy term whose magnitude is comparable to the static barrier for magnetization reversal/rotation related to magnetic anisotropy. On the basis of the existing theories on thermal crossing of a barrier whose height randomly fluctuates in time it is predicted that the rate of barrier crossing is substantially driven by the rate

  3. Asymmetric 1,3-Dipolar Cycloadditions to 5-(R)-Menthyloxy-2(5H)-Furanone

    NARCIS (Netherlands)

    Rispens, Minze T.; Keller, Erik; Lange, Ben de; Zijlstra, Robert W.J.; Feringa, Bernard

    Various diazo compounds, nitrile oxides, nitrones and azomethine ylides were examined in 1,3-dipolar cycloadditions to enantiomerically pure 5-(R)-menthyloxy-2(5H)-furanone 1a. Pyrazoline 9 was obtained in 100% c.y. as a mixture of 2 diastereoisomers in ratios up to 72 : 28, whereas pyrazoline 16

  4. Minute splitting of magnetic excitations in CsFeCl{sub 3} due to dipolar interaction observed by polarised neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Dorner, B [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France); Baehr, M [HMI, Berlin (Germany); Petitgrand, D [Laboratoire Leon Brillouin (LLB) - Centre d` Etudes de Saclay, 91 - Gif-sur-Yvette (France)

    1997-04-01

    Using inelastic neutron scattering with polarisation analysis it was possible, for the first time, to observe simultaneously the two magnetic modes split due to dipolar interaction. This would not have been possible with energy resolution only. An analysis of eigenvectors was also performed. (author). 4 refs.

  5. Inclusion Compound Based Approach to Forming Arrays of Artificial Dipolar Molecular Rotors: A Search for Optimal Rotor Structures

    Czech Academy of Sciences Publication Activity Database

    Kobr, L.; Zhao, K.; Shen, X.; Shoemaker, R. K.; Rogers, C. T.; Michl, Josef

    2013-01-01

    Roč. 25, č. 3 (2013), s. 443-448 ISSN 0935-9648 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Grant - others:NSF(US) CHE 0848663 Institutional support: RVO:61388963 Keywords : inclusion compounds * molecular rotors * ferroelectricity * two-dimensional arrays Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 15.409, year: 2013

  6. Relaxation of coupled nuclear spin systems

    International Nuclear Information System (INIS)

    Koenigsberger, E.

    1985-05-01

    The subject of the present work is the relaxation behaviour of scalarly coupled spin-1/2 systems. In the theoretical part the semiclassical Redfield equations are used. Dipolar (D), Chemical Shift Anisotropy (CSA) and Random Field (RF) interactions are considered as relaxation mechanisms. Cross correlations of dipolar interactions of different nuclei pairs and those between the D and the CSA mechanisms are important. The model of anisotropic molecular rotational relaxation and the extreme narrowing approximation are used to obtain the spectral density functions. The longitudinal relaxation data are analyzed into normal modes following Werbelow and Grant. The time evolution of normal modes is derived for the AX system with D-CSA cross terms. In the experimental part the hypothesis of dimerization in the cinnamic acid and the methyl cinnamate - AMX systems with DD cross terms - is corroborated by T 1 -time measurements and a calculation of the diffusion constants. In pentachlorobenzene - an AX system - taking into account of D-CSA cross terms enables the complete determination of movements anosotropy and the determination of the sign of the indirect coupling constant 1 Jsub(CH). (G.Q.)

  7. Strong Interlayer Magnon-Magnon Coupling in Magnetic Metal-Insulator Hybrid Nanostructures

    Science.gov (United States)

    Chen, Jilei; Liu, Chuanpu; Liu, Tao; Xiao, Yang; Xia, Ke; Bauer, Gerrit E. W.; Wu, Mingzhong; Yu, Haiming

    2018-05-01

    We observe strong interlayer magnon-magnon coupling in an on-chip nanomagnonic device at room temperature. Ferromagnetic nanowire arrays are integrated on a 20-nm-thick yttrium iron garnet (YIG) thin film strip. Large anticrossing gaps up to 1.58 GHz are observed between the ferromagnetic resonance of the nanowires and the in-plane standing spin waves of the YIG film. Control experiments and simulations reveal that both the interlayer exchange coupling and the dynamical dipolar coupling contribute to the observed anticrossings. The coupling strength is tunable by the magnetic configuration, allowing the coherent control of magnonic devices.

  8. Efficient dipolar double quantum filtering under magic angle spinning without a (1)H decoupling field.

    Science.gov (United States)

    Courtney, Joseph M; Rienstra, Chad M

    2016-08-01

    We present a systematic study of dipolar double quantum (DQ) filtering in (13)C-labeled organic solids over a range of magic-angle spinning rates, using the SPC-n recoupling sequence element with a range of n symmetry values from 3 to 11. We find that efficient recoupling can be achieved for values n⩾7, provided that the (13)C nutation frequency is on the order of 100kHz or greater. The decoupling-field dependence was investigated and explicit heteronuclear decoupling interference conditions identified. The major determinant of DQ filtering efficiency is the decoupling interference between (13)C and (1)H fields. For (13)C nutation frequencies greater than 75kHz, optimal performance is observed without an applied (1)H field. At spinning rates exceeding 20kHz, symmetry conditions as low as n=3 were found to perform adequately. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Density functional theory investigation of two-dimensional dipolar fermions in a harmonic trap

    International Nuclear Information System (INIS)

    Ustunel, Hande; Abedinpour, Saeed H; Tanatar, B

    2014-01-01

    We investigate the behavior of polarized dipolar fermions in a two-dimensional harmonic trap in the framework of the density functional theory (DFT) formalism using the local density approximation. We treat only a few particles interacting moderately. Important results were deduced concerning key characteristics of the system such as total energy and particle density. Our results indicate that, at variance with Coulombic systems, the exchange- correlation component was found to provide a large contribution to the total energy for a large range of interaction strengths and particle numbers. In addition, the density profiles of the dipoles are shown to display important features around the origin that is not possible to capture by earlier, simpler treatments of such systems

  10. High electronegativity multi-dipolar electron cyclotron resonance plasma source for etching by negative ions

    DEFF Research Database (Denmark)

    Stamate, Eugen; Draghici, M.

    2012-01-01

    A large area plasma source based on 12 multi-dipolar ECR plasma cells arranged in a 3 x 4 matrix configuration was built and optimized for silicon etching by negative ions. The density ratio of negative ions to electrons has exceeded 300 in Ar/SF6 gas mixture when a magnetic filter was used...... to reduce the electron temperature to about 1.2 eV. Mass spectrometry and electrostatic probe were used for plasma diagnostics. The new source is free of density jumps and instabilities and shows a very good stability for plasma potential, and the dominant negative ion species is F-. The magnetic field...... in plasma volume is negligible and there is no contamination by filaments. The etching rate by negative ions measured in Ar/SF6/O-2 mixtures was almost similar with that by positive ions reaching 700 nm/min. (C) 2012 American Institute of Physics...

  11. Dipolar magnetism in ordered and disordered low-dimensional nanoparticle assemblies

    DEFF Research Database (Denmark)

    Varón, M.; Beleggia, M; Kasama, T

    2013-01-01

    order at ambient temperature in assemblies of closely-spaced nanoparticles with magnetic moments of ≥ 100 μ(B). Here we use electron holography with sub-particle resolution to reveal the correlation between particle arrangement and magnetic order in self-assembled 1D and quasi-2D arrangements of 15 nm...... cobalt nanoparticles. In the initial states, we observe dipolar ferromagnetism, antiferromagnetism and local flux closure, depending on the particle arrangement. Surprisingly, after magnetic saturation, measurements and numerical simulations show that overall ferromagnetic order exists in the present...... nanoparticle assemblies even when their arrangement is completely disordered. Such direct quantification of the correlation between topological and magnetic order is essential for the technological exploitation of magnetic quasi-2D nanoparticle assemblies....

  12. Singular Value Decomposition Method to Determine Distance Distributions in Pulsed Dipolar Electron Spin Resonance.

    Science.gov (United States)

    Srivastava, Madhur; Freed, Jack H

    2017-11-16

    Regularization is often utilized to elicit the desired physical results from experimental data. The recent development of a denoising procedure yielding about 2 orders of magnitude in improvement in SNR obviates the need for regularization, which achieves a compromise between canceling effects of noise and obtaining an estimate of the desired physical results. We show how singular value decomposition (SVD) can be employed directly on the denoised data, using pulse dipolar electron spin resonance experiments as an example. Such experiments are useful in measuring distances and their distributions, P(r) between spin labels on proteins. In noise-free model cases exact results are obtained, but even a small amount of noise (e.g., SNR = 850 after denoising) corrupts the solution. We develop criteria that precisely determine an optimum approximate solution, which can readily be automated. This method is applicable to any signal that is currently processed with regularization of its SVD analysis.

  13. Simulation study of localization of electromagnetic waves in two-dimensional random dipolar systems

    International Nuclear Information System (INIS)

    Wang, Ken Kang-Hsin; Ye Zhen

    2003-01-01

    We study the propagation and scattering of electromagnetic waves by random arrays of dipolar cylinders in a uniform medium. A set of self-consistent equations, incorporating all orders of multiple scattering of the electromagnetic waves, is derived from first principles and then solved numerically for electromagnetic fields. For certain ranges of frequencies, spatially localized electromagnetic waves appear in such a simple but realistic disordered system. Dependence of localization on the frequency, radiation damping, and filling factor is shown. The spatial behavior of the total, coherent, and diffusive waves is explored in detail, and found to comply with a physical intuitive picture. A phase diagram characterizing localization is presented, in agreement with previous investigations on other systems

  14. Simulation study of localization of electromagnetic waves in two-dimensional random dipolar systems.

    Science.gov (United States)

    Wang, Ken Kang-Hsin; Ye, Zhen

    2003-12-01

    We study the propagation and scattering of electromagnetic waves by random arrays of dipolar cylinders in a uniform medium. A set of self-consistent equations, incorporating all orders of multiple scattering of the electromagnetic waves, is derived from first principles and then solved numerically for electromagnetic fields. For certain ranges of frequencies, spatially localized electromagnetic waves appear in such a simple but realistic disordered system. Dependence of localization on the frequency, radiation damping, and filling factor is shown. The spatial behavior of the total, coherent, and diffusive waves is explored in detail, and found to comply with a physical intuitive picture. A phase diagram characterizing localization is presented, in agreement with previous investigations on other systems.

  15. Dynamical Properties of a Diluted Dipolar-Interaction Heisenberg Spin Glass

    International Nuclear Information System (INIS)

    Zhang Kai-Cheng; Liu Yong; Chi Feng

    2014-01-01

    Up to now the chirality is seldom studied in the diluted spin glass although many investigations have been performed on the site-ordered Edwards—Anderson model. By simulation, we investigate the dynamical properties of both the spin-glass and the chiral-glass phases in a diluted dipolar system, which was manifested to have a spin-glass transition by recent numerical study. By scaling we find that both phases have the same aging behavior and closer aging parameter μ. Similarly, the domains grow in the same way and both phases have a closer barrier exponent Ψ. It means that both the spins and the chirality have the same dynamical properties and they may freeze at the same temperature. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  16. Magnetospheric Multiscale (MMS) Observations of Energetic Ion Response to Magnetotail Dipolarization Events

    Science.gov (United States)

    Cohen, I. J.; Mauk, B.; Anderson, B. J.; Sitnov, M. I.; Motoba, T.; Ohtani, S.; Gkioulidou, M.; Fuselier, S. A.; Giles, B. L.; Strangeway, R. J.; Torbert, R. B.; Burch, J. L.

    2017-12-01

    Observations from the Energetic Ion Spectrometer (EIS) instruments aboard MMS have shown angular (pitch, elevation, azimuthal) asymmetries of energetic (>10s of keV) ions corresponding to dipolarization events in the near-Earth and distant magnetotail. In particular, EIS distinguishes the species composition of these ions (protons, helium, oxygen) and reveals apparent species-based differences in their response. This study presents analysis of the dynamic injection and mass-dependent response of energetic ions that likely result from the kinetic response of the ions to the time-varying electric and magnetic fields associated with injection process. Analysis is focused on discriminating between truly kinetic responses to the dynamics and the features that arise from large gyro-radii particles in the vicinity of strong spatial gradients. The study will focus on EIS measurements and include supplementary data from the FIELDS, FPI, and HPCA instruments.

  17. Mutual capture of dipolar molecules at low and very low energies. I. Approximate analytical treatment.

    Science.gov (United States)

    Nikitin, E E; Troe, J

    2010-09-16

    Approximate analytical expressions are derived for the low-energy rate coefficients of capture of two identical dipolar polarizable rigid rotors in their lowest nonresonant (j(1) = 0 and j(2) = 0) and resonant (j(1) = 0,1 and j(2) = 1,0) states. The considered range extends from the quantum, ultralow energy regime, characterized by s-wave capture, to the classical regime described within fly wheel and adiabatic channel approaches, respectively. This is illustrated by the table of contents graphic (available on the Web) that shows the scaled rate coefficients for the mutual capture of rotors in the resonant state versus the reduced wave vector between the Bethe zero-energy (left arrows) and classical high-energy (right arrow) limits for different ratios δ of the dipole-dipole to dispersion interaction.

  18. Long-range transverse Ising model built with dipolar condensates in two-well arrays

    International Nuclear Information System (INIS)

    Li, Yongyao; Pang, Wei; Xu, Jun; Lee, Chaohong; Malomed, Boris A; Santos, Luis

    2017-01-01

    Dipolar Bose–Einstein condensates in an array of double-well potentials realize an effective transverse Ising model with peculiar inter-layer interactions, that may result under proper conditions in an anomalous first-order ferromagnetic–antiferromagnetic phase transition, and non-trivial phases due to frustration. The considered setup allows as well for the study of Kibble–Zurek defect formation, whose kink statistics follows that expected from the universality class of the mean-field one-dimensional transverse Ising model. Furthermore, random occupation of each layer of the stack leads to random effective Ising interactions and local transverse fields, that may lead to the Anderson-like localization of imbalance perturbations. (paper)

  19. Compressibility, zero sound, and effective mass of a fermionic dipolar gas at finite temperature

    International Nuclear Information System (INIS)

    Kestner, J. P.; Das Sarma, S.

    2010-01-01

    The compressibility, zero-sound dispersion, and effective mass of a gas of fermionic dipolar molecules is calculated at finite temperature for one-, two-, and three-dimensional uniform systems, and in a multilayer quasi-two-dimensional system. The compressibility is nonmonotonic in the reduced temperature, T/T F , exhibiting a maximum at finite temperature. This effect might be visible in a quasi-low-dimensional experiment, providing a clear signature of the onset of many-body quantum degeneracy effects. The collective mode dispersion and effective mass show similar nontrivial temperature and density dependence. In a quasi-low-dimensional system, the zero-sound mode may propagate at experimentally attainable temperatures.

  20. Influence of static and dynamic dipolar fields in bulk YIG/thin film NiFe systems probed via spin rectification effect

    Energy Technology Data Exchange (ETDEWEB)

    Soh, Wee Tee, E-mail: a0046479@u.nus.edu [Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Tay, Z.J. [Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Yakovlev, N.L. [Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Peng, Bin [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Ong, C.K. [Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Temasek Laboratories, National University of Singapore, 5A Engineering Drive 2, Singapore 117411 (Singapore)

    2017-03-15

    The characteristics of the static and dynamic components of the dipolar fields originating from a bulk polycrystalline yttrium iron garnet (YIG) substrate are probed by depositing a NiFe (Permalloy) layer on it, which acts as a detector. By measuring dc voltages generated via spin rectification effect (SRE) within the NiFe layer under microwave excitation, we characterize the influence of dipolar fields from bulk YIG on the NiFe layer. It is found that the dynamic YIG dipolar fields modify the self-SRE of NiFe, driving its own rectification voltages within the NiFe layer, an effect we term as non-local SRE. This non-local SRE only occurs near the simultaneous resonance of both YIG and NiFe. On the other hand, the static dipolar field from YIG manifests itself as a negative anisotropy in the NiFe layer which shifts the latter’s ferromagnetic resonance frequency. - Highlights: • We demonstrate the quantification of both the static and dynamic components of the dipolar fields due to a YIG slab. • The detection and characterisation of such dipolar fields are important in many magnetic applications such as magnonics. • The dipolar fields can pose potential pitfalls if not properly considered in certain spin-electronics systems.

  1. Stacking of purines in water: the role of dipolar interactions in caffeine.

    Science.gov (United States)

    Tavagnacco, L; Di Fonzo, S; D'Amico, F; Masciovecchio, C; Brady, J W; Cesàro, A

    2016-05-11

    During the last few decades it has been ascertained that base stacking is one of the major contributions stabilizing nucleic acid conformations. However, the understanding of the nature of the interactions involved in the stacking process remains under debate and it is a subject of theoretical and experimental studies. Structural similarity between purine bases (guanine and adenine) in DNA and the caffeine molecule makes caffeine an excellent model for the purine bases. The present study clearly shows that dipolar interactions play a fundamental role in determining stacking of purine molecules in solution. In order to reach this achievement, polarized ultraviolet Raman resonant scattering experiments have been carried out on caffeine aqueous solutions as a function of concentration and temperature. The investigation pointed out at the aggregation and solvation properties, particularly at elevated temperatures. Kubo-Anderson theory was used as a framework to investigate the non-coincidence effect (NCE) occurring in the totally symmetric breathing modes of the purine rings, and in the bending modes of the methyl groups of caffeine. The NCE concentration dependence shows that caffeine aggregation at 80 °C occurs by planar stacking of the hydrophobic faces. The data clearly indicate that dipolar interactions determine the reorientational motion of the molecules in solution and are the driving force for the stacking of caffeine. In parallel, the observed dephasing times imply a change in caffeine interactions as a function of temperature and concentration. A decrease, at low water content, of the dephasing time for the ring breathing vibration mode indicates that self-association alters the solvation structure that is detectable at low concentration. These results are in agreement with simulation predictions and serve as an important validation of the models used in those calculations.

  2. Low temperature structural transitions in dipolar hard spheres: The influence on magnetic properties

    International Nuclear Information System (INIS)

    Ivanov, A.O.; Kantorovich, S.S.; Rovigatti, L.; Tavares, J.M.; Sciortino, F.

    2015-01-01

    We investigate the structural chain-to-ring transition at low temperature in a gas of dipolar hard spheres (DHS). Due to the weakening of entropic contribution, ring formation becomes noticeable when the effective dipole–dipole magnetic interaction increases. It results in the redistribution of particles from usually observed flexible chains into flexible rings. The concentration (ρ) of DHS plays a crucial part in this transition: at a very low ρ only chains and rings are observed, whereas even a slight increase of the volume fraction leads to the formation of branched or defect structures. As a result, the fraction of DHS aggregated in defect-free rings turns out to be a non-monotonic function of ρ. The average ring size is found to be a slower increasing function of ρ when compared to that of chains. Both theory and computer simulations confirm the dramatic influence of the ring formation on the ρ-dependence of the initial magnetic susceptibility (χ) when the temperature decreases. The rings due to their zero total dipole moment are irresponsive to a weak magnetic field and drive to the strong decrease of the initial magnetic susceptibility. - Highlights: • Found structural chain-to-ring transition at low temperature sheds the light on the no-man's-land of the phase diagram of dipolar hard sphere gas. • Particle concentration plays a crucial part: at high dilution only chains and rings are observed, otherwise different branched structures occur. • The dramatic influence of the ring formation on the concentration dependence of the initial magnetic susceptibility when temperature decreases

  3. Exchange bias properties of 140 nm-sized dipolarly interacting circular dots with ultrafine IrMn and NiFe layers

    Energy Technology Data Exchange (ETDEWEB)

    Spizzo, F., E-mail: spizzo@fe.infn.it [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy); Tamisari, M. [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy); Dipartimento di Fisica e Geologia and CNISM, Università di Perugia, I-06123 Perugia (Italy); Chinni, F.; Bonfiglioli, E. [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy); Gerardino, A. [Istituto di Fotonica e Nanotecnologie, CNR, I-00156 Roma (Italy); Barucca, G. [Dipartimento SIMAU, Università Politecnica delle Marche, I-60131 Ancona (Italy); Bisero, D.; Fin, S.; Del Bianco, L. [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy)

    2016-02-15

    Confinement of IrMn magnetic correlation length affecting dots' exchange coupling. • Study of the effects of interdot dipolar interaction on the exchange bias properties. • Micromagnetic model to relate dots' exchange field to IrMn phase pinning strength.

  4. Exchange bias properties of 140 nm-sized dipolarly interacting circular dots with ultrafine IrMn and NiFe layers

    International Nuclear Information System (INIS)

    Spizzo, F.; Tamisari, M.; Chinni, F.; Bonfiglioli, E.; Gerardino, A.; Barucca, G.; Bisero, D.; Fin, S.; Del Bianco, L.

    2016-01-01

    correlation length affecting dots' exchange coupling. • Study of the effects of interdot dipolar interaction on the exchange bias properties. • Micromagnetic model to relate dots' exchange field to IrMn phase pinning strength.

  5. The effect of noncollinearity of 15N-1H dipolar and 15N CSA tensors and rotational anisotropy on 15N relaxation, CSA/dipolar cross correlation, and TROSY

    International Nuclear Information System (INIS)

    Fushman, David; Cowburn, David

    1999-01-01

    Current approaches to 15N relaxation in proteins assume that the 15N-1H dipolar and 15N CSA tensors are collinear. We show theoretically that, when there is significant anisotropy of molecular rotation, different orientations of the two tensors, experimentally observed in proteins, nucleic acids, and small peptides, will result in differences in site- specific correlation functions and spectral densities. The standard treatments of the rates of longitudinal and transverse relaxation of amide 15N nuclei, of the 15N CSA/15N-1H dipolar cross correlation, and of the TROSY experiment are extended to account for the effect of noncollinearity of the 15N-1H dipolar and 15N CSA (chemical shift anisotropy) tensors. This effect, proportional to the degree of anisotropy of the overall motion, (D-parallel /D-perpendicular -1), is sensitive to the relative orientation of the two tensors and to the orientation of the peptide plane with respect to the diffusion coordinate frame. The effect is negligible at small degrees of anisotropy, but is predicted to become significant for D-parallel /D-perpendicular ≥1.5, and at high magnetic fields. The effect of noncollinearity of 15N CSA and 15N-1H dipolar interaction is sensitive to both gross (hydrodynamic) properties and atomic-level details of protein structure. Incorporation of this effect into relaxation data analysis is likely to improve both precision and accuracy of the derived characteristics of protein dynamics, especially at high magnetic fields and for molecules with a high degree of anisotropy of the overall motion. The effect will also make TROSY efficiency dependent on local orientation in moderately anisotropic systems

  6. Synthesis with Perfect Atom Economy: Generation of Furan Derivatives by 1,3-Dipolar Cycloaddition of Acetylenedicarboxylates at Cyclooctynes

    Directory of Open Access Journals (Sweden)

    Klaus Banert

    2014-09-01

    Full Text Available Cyclooctyne and cycloocten-5-yne undergo, at room temperature, a 1,3-dipolar cycloaddition with dialkyl acetylenedicarboxylates 1a,b to generate furan-derived short-lived intermediates 2, which can be trapped by two additional equivalents of 1a,b or alternatively by methanol, phenol, water or aldehydes to yield polycyclic products 3b–d, orthoesters 4a–c, ketones 5 or epoxides 6a,b, respectively. Treatment of bis(trimethylsilyl acetylenedicarboxylate (1c with cyclooctyne leads to the ketone 7 via retro-Brook rearrangement of the dipolar intermediate 2c. In all cases, the products are formed with perfect atom economy.

  7. The MMS observation of an off-equatorial dipolarization front and associated wave characteristics in the near-Earth magnetotail

    Science.gov (United States)

    Li, H.; Guo, L.; Zhou, M.; Cheng, Q.; Yu, X.; Huang, S.; Pang, Y.

    2017-12-01

    In this paper, we report the observation of the off-equatorial depolarization front structures by Magnetospheric Multiscale (MMS) mission at around X -8Re in the Earth's magnetotail. The dipolarization front was located at the flow rebounce region associated with a parallel electron beam. A large lower frequency electromagnetic wave fluctuation at the depolarization front is observed with the frequency near the ion gyrofrequency, left-handed polarization and a parallel propagation. A parallel current attributed to an electron beam coexist with the wave. The wave is believed to be generated by the current-driven ion cyclotron instability. Such instability is important because of its potential contribution to global electromagnetic energy conversion at the dipolarization front.

  8. Van-der-Waals interaction of atoms in dipolar Rydberg states

    Science.gov (United States)

    Kamenski, Aleksandr A.; Mokhnenko, Sergey N.; Ovsiannikov, Vitaly D.

    2018-02-01

    An asymptotic expression for the van-der-Waals constant C 6( n) ≈ -0.03 n 12 K p ( x) is derived for the long-range interaction between two highly excited hydrogen atoms A and B in their extreme Stark states of equal principal quantum numbers n A = n B = n ≫ 1 and parabolic quantum numbers n 1(2) = n - 1, n 2(1) = m = 0 in the case of collinear orientation of the Stark-state dipolar electric moments and the interatomic axis. The cubic polynomial K 3( x) in powers of reciprocal values of the principal quantum number x = 1/ n and quadratic polynomial K 2( y) in powers of reciprocal values of the principal quantum number squared y = 1/ n 2 were determined on the basis of the standard curve fitting polynomial procedure from the calculated data for C 6( n). The transformation of attractive van-der-Waals force ( C 6 > 0) for low-energy states n < 23 into repulsive force ( C 6 < 0) for all higher-energy states of n ≥ 23, is observed from the results of numerical calculations based on the second-order perturbation theory for the operator of the long-range interaction between neutral atoms. This transformation is taken into account in the asymptotic formulas (in both cases of p = 2, 3) by polynomials K p tending to unity at n → ∞ ( K p (0) = 1). The transformation from low- n attractive van-der-Waals force into high- n repulsive force demonstrates the gradual increase of the negative contribution to C 6( n) from the lower-energy two-atomic states, of the A(B)-atom principal quantum numbers n'A(B) = n-Δ n (where Δ n = 1, 2, … is significantly smaller than n for the terms providing major contribution to the second-order series), which together with the states of n″B(A) = n+Δ n make the joint contribution proportional to n 12. So, the hydrogen-like manifold structure of the energy spectrum is responsible for the transformation of the power-11 asymptotic dependence C 6( n) ∝ n 11of the low-angular-momenta Rydberg states in many-electron atoms into the power

  9. Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects

    International Nuclear Information System (INIS)

    Urban, Jeffry Todd

    2004-01-01

    Experimental and theoretical research conducted in two areas in the field of nuclear magnetic resonance (NMR) spectroscopy is presented: (1) studies of the coherent quantum-mechanical control of the angular momentum dynamics of quadrupolar (spin I > 1/2) nuclei and its application to the determination of molecular structure; and (2) applications of the long-range nuclear dipolar field to novel NMR detection methodologies.The dissertation is organized into six chapters. The first two chapters and associated appendices are intended to be pedagogical and include an introduction to the quantum mechanical theory of pulsed NMR spectroscopy and the time dependent theory of quantum mechanics. The third chapter describes investigations of the solid-state multiple-quantum magic angle spinning (MQMAS) NMR experiment applied to I 5/2 quadrupolar nuclei. This work reports the use of rotary resonance-matched radiofrequency irradiation for sensitivity enhancement of the I = 5/2 MQMAS experiment. These experiments exhibited certain selective line narrowing effects which were investigated theoretically.The fourth chapter extends the discussion of multiple quantum spectroscopy of quadrupolar nuclei to a mostly theoretical study of the feasibility of enhancing the resolution of nitrogen-14 NMR of large biomolecules in solution via double-quantum spectroscopy. The fifth chapter continues to extend the principles of multiple quantum NMR spectroscopy of quadrupolar nuclei to make analogies between experiments in NMR/nuclear quadrupolar resonance (NQR) and experiments in atomic/molecular optics (AMO). These analogies are made through the Hamiltonian and density operator formalism of angular momentum dynamics in the presence of electric and magnetic fields.The sixth chapter investigates the use of the macroscopic nuclear dipolar field to encode the NMR spectrum of an analyte nucleus indirectly in the magnetization of a sensor nucleus. This technique could potentially serve as an encoding

  10. Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects

    Energy Technology Data Exchange (ETDEWEB)

    Urban, Jeffry Todd [Univ. of California, Berkeley, CA (United States)

    2004-01-01

    Experimental and theoretical research conducted in two areas in the field of nuclear magnetic resonance (NMR) spectroscopy is presented: (1) studies of the coherent quantum-mechanical control of the angular momentum dynamics of quadrupolar (spin I > 1/2) nuclei and its application to the determination of molecular structure; and (2) applications of the long-range nuclear dipolar field to novel NMR detection methodologies.The dissertation is organized into six chapters. The first two chapters and associated appendices are intended to be pedagogical and include an introduction to the quantum mechanical theory of pulsed NMR spectroscopy and the time dependent theory of quantum mechanics. The third chapter describes investigations of the solid-state multiple-quantum magic angle spinning (MQMAS) NMR experiment applied to I = 5/2 quadrupolar nuclei. This work reports the use of rotary resonance-matched radiofrequency irradiation for sensitivity enhancement of the I = 5/2 MQMAS experiment. These experiments exhibited certain selective line narrowing effects which were investigated theoretically.The fourth chapter extends the discussion of multiple quantum spectroscopy of quadrupolar nuclei to a mostly theoretical study of the feasibility of enhancing the resolution of nitrogen-14 NMR of large biomolecules in solution via double-quantum spectroscopy. The fifth chapter continues to extend the principles of multiple quantum NMR spectroscopy of quadrupolar nuclei to make analogies between experiments in NMR/nuclear quadrupolar resonance (NQR) and experiments in atomic/molecular optics (AMO). These analogies are made through the Hamiltonian and density operator formalism of angular momentum dynamics in the presence of electric and magnetic fields.The sixth chapter investigates the use of the macroscopic nuclear dipolar field to encode the NMR spectrum of an analyte nucleus indirectly in the magnetization of a sensor nucleus. This technique could potentially serve as an

  11. Dipolar sources of the early scalp somatosensory evoked potentials to upper limb stimulation. Effect of increasing stimulus rates.

    Science.gov (United States)

    Valeriani, M; Restuccia, D; Di Lazzaro, V; Le Pera, D; Barba, C; Tonali, P; Mauguiere, F

    1998-06-01

    Brain electrical source analysis (BESA) of the scalp electroencephalographic activity is well adapted to distinguish neighbouring cerebral generators precisely. Therefore, we performed dipolar source modelling in scalp medium nerve somatosensory evoked potentials (SEPs) recorded at 1.5-Hz stimulation rate, where all the early components should be identifiable. We built a four-dipole model, which was issued from the grand average, and applied it also to recordings from single individuals. Our model included a dipole at the base of the skull and three other perirolandic dipoles. The first of the latter dipoles was tangentially oriented and was active at the same latencies as the N20/P20 potential and, with opposite polarity, the P24/N24 response. The second perirolandic dipole showed an initial peak of activity slightly earlier than that of the N20/P20 dipolar source and, later, it was active at the same latency as the central P22 potential. Lastly, the third perirolandic dipole explaining the fronto-central N30 potential scalp distribution was constantly more posterior than the first one. In order to evaluate the effect of an increasing repetition frequency on the activity of SEP dipolar sources, we applied the model built from 1.5-Hz SEPs to traces recorded at 3-Hz and 10-Hz repetition rates. We found that the 10-Hz stimulus frequency reduced selectively the later of the two activity phases of the first perirolandic dipole. The decrement in strength of this dipolar source can be explained if we assume that: (a) the later activity of the first perirolandic dipole can represent the inhibitory phase of a "primary response"; (b) two different clusters of cells generate the opposite activities of the tangential perirolandic dipole. An additional finding in our model was that two different perirolandic dipoles contribute to the centro-parietal N20 potential generation.

  12. Evidence of magnetic dipolar interaction in micrometric powders of the Fe50Mn10Al40 system: Melted alloys

    International Nuclear Information System (INIS)

    Pérez Alcázar, G.A.; Zamora, L.E.; Tabares, J.A.; Piamba, J.F.; González, J.M.; Greneche, J.M.; Martinez, A.; Romero, J.J.; Marco, J.F.

    2013-01-01

    Powders of melted disordered Fe 50 Mn 10 Al 40 alloy were separated at different mean particle sizes as well as magnetically and structurally characterized. All the samples are BCC and show the same nanostructure. Particles larger than 250 μm showed a lamellar shape compared to smaller particles, which exhibited a more regular form. All the samples are ferromagnetic at room temperature and showed reentrant spin-glass (RSG) and superparamagnetic (SP)-like behaviors between 30 and 60 K and 265 and > 280 K, respectively, as a function of frequency and particle size. The freezing temperature increases with increasing particle size while the blocking one decreases with particle size. The origin of these magnetic phenomena relies in the internal disordered character of samples and the competitive interaction of Fe and Mn atoms. The increase of their critical freezing temperature with increasing mean particle size is due to the increase of the magnetic dipolar interaction between the magnetic moment of each particle with the field produced by the other magnetic moments of their surrounding particles. - Highlights: ► The effect of particle size in microsized powders of Fe 50 Mn 10 Al 40 melted disordered alloy is studied. ► Dipolar magnetic interaction between particles exists and this changes with the particle size. ► For all the particle sizes the reentrant spin- glass and the superparamagnetic-like phases exist. ► RSG and SP critical temperatures increase with increasing the dipolar magnetic interaction (the mean particle size).

  13. Decreasing Distortion Energies without Strain: Diazo-Selective 1,3-Dipolar Cycloadditions.

    Science.gov (United States)

    Gold, Brian; Aronoff, Matthew R; Raines, Ronald T

    2016-07-15

    The diazo group has attributes that complement those of the azido group for applications in chemical biology. Here, we use computational analyses to provide insights into the chemoselectivity of the diazo group in 1,3-dipolar cycloadditions. Dipole distortion energies are responsible for ∼80% of the overall energetic barrier for these reactions. Here, we show that diazo compounds, unlike azides, provide an opportunity to decrease that barrier substantially without introducing strain into the dipolarophile. The ensuing rate enhancement is due to the greater nucleophilic character of a diazo group compared to that of an azido group, which can accommodate decreased distortion energies without predistortion. The tuning of distortion energies with substituents in a diazo compound or dipolarophile can enhance reactivity and selectivity in a predictable manner. Notably, these advantages of diazo groups are amplified in water. Our findings provide a theoretical framework that can guide the design and application of both diazo compounds and azides in "orthogonal" contexts, especially for biological investigations.

  14. Differential Membrane Dipolar Orientation Induced by Acute and Chronic Cholesterol Depletion.

    Science.gov (United States)

    Sarkar, Parijat; Chakraborty, Hirak; Chattopadhyay, Amitabha

    2017-06-30

    Cholesterol plays a crucial role in cell membrane organization, dynamics and function. Depletion of cholesterol represents a popular approach to explore cholesterol-sensitivity of membrane proteins. An emerging body of literature shows that the consequence of membrane cholesterol depletion often depends on the actual process (acute or chronic), although the molecular mechanism underlying the difference is not clear. Acute depletion, using cyclodextrin-type carriers, is faster relative to chronic depletion, in which inhibitors of cholesterol biosynthesis are used. With the overall goal of addressing molecular differences underlying these processes, we monitored membrane dipole potential under conditions of acute and chronic cholesterol depletion in CHO-K1 cells, using a voltage-sensitive fluorescent dye in dual wavelength ratiometric mode. Our results show that the observed membrane dipole potential exhibits difference under acute and chronic cholesterol depletion conditions, even when cholesterol content was identical. To the best of our knowledge, these results provide, for the first time, molecular insight highlighting differences in dipolar reorganization in these processes. A comprehensive understanding of processes in which membrane cholesterol gets modulated would provide novel insight in its interaction with membrane proteins and receptors, thereby allowing us to understand the role of cholesterol in cellular physiology associated with health and disease.

  15. Determination of ground and excited state dipole moments of dipolar laser dyes by solvatochromic shift method.

    Science.gov (United States)

    Patil, S K; Wari, M N; Panicker, C Yohannan; Inamdar, S R

    2014-04-05

    The absorption and fluorescence spectra of three medium sized dipolar laser dyes: coumarin 478 (C478), coumarin 519 (C519) and coumarin 523 (C523) have been recorded and studied comprehensively in various solvents at room temperature. The absorption and fluorescence spectra of C478, C519 and C523 show a bathochromic and hypsochromic shifts with increasing solvent polarity indicate that the transitions involved are π→π(∗) and n→π(∗). Onsager radii determined from ab initio calculations were used in the determination of dipole moments. The ground and excited state dipole moments were evaluated by using solvatochromic correlations. It is observed that the dipole moment values of excited states (μe) are higher than corresponding ground state values (μg) for the solvents studied. The ground and excited state dipole moments of these probes computed from ab initio calculations and those determined experimentally are compared and the results are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. A new dipolar potential for numerical simulations of polar fluids on the 4D hypersphere

    International Nuclear Information System (INIS)

    Caillol, Jean-Michel; Trulsson, Martin

    2014-01-01

    We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three-dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The point dipoles are constrained to remain tangent to the sphere and their interactions are derived from the basic laws of electrostatics in this geometry. The dipole-dipole potential has two singularities which correspond to the following boundary conditions: when a dipole leaves the northern hemisphere at some point of the equator, it reappears at the antipodal point bearing the same dipole moment. We derive all the formal expressions needed to obtain the thermodynamic and structural properties of a polar liquid at thermal equilibrium in actual numerical simulation. We notably establish the expression of the static dielectric constant of the fluid as well as the behavior of the pair correlation at large distances. We report and discuss the results of extensive numerical Monte Carlo simulations for two reference states of a fluid of dipolar hard spheres and compare these results with previous methods with a special emphasis on finite size effects

  17. Cluster-cluster aggregation of Ising dipolar particles under thermal noise

    KAUST Repository

    Suzuki, Masaru

    2009-08-14

    The cluster-cluster aggregation processes of Ising dipolar particles under thermal noise are investigated in the dilute condition. As the temperature increases, changes in the typical structures of clusters are observed from chainlike (D1) to crystalline (D2) through fractal structures (D1.45), where D is the fractal dimension. By calculating the bending energy of the chainlike structure, it is found that the transition temperature is associated with the energy gap between the chainlike and crystalline configurations. The aggregation dynamics changes from being dominated by attraction to diffusion involving changes in the dynamic exponent z=0.2 to 0.5. In the region of temperature where the fractal clusters grow, different growth rates are observed between charged and neutral clusters. Using the Smoluchowski equation with a twofold kernel, this hetero-aggregation process is found to result from two types of dynamics: the diffusive motion of neutral clusters and the weak attractive motion between charged clusters. The fact that changes in structures and dynamics take place at the same time suggests that transitions in the structure of clusters involve marked changes in the dynamics of the aggregation processes. © 2009 The American Physical Society.

  18. Manipulation and control of the interfacial polarization in organic light-emitting diodes by dipolar doping

    Directory of Open Access Journals (Sweden)

    Lars Jäger

    2016-09-01

    Full Text Available Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl-N-phenylamino]-biphenyl (NPB with the polar electron transporting material tris-(8-hydroxyquinolate aluminum (Alq3. Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.

  19. Manipulation and control of the interfacial polarization in organic light-emitting diodes by dipolar doping

    Science.gov (United States)

    Jäger, Lars; Schmidt, Tobias D.; Brütting, Wolfgang

    2016-09-01

    Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl)-N-phenylamino]-biphenyl (NPB) with the polar electron transporting material tris-(8-hydroxyquinolate) aluminum (Alq3). Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.

  20. Dipolar-Biased Tunneling of Magnetization in Crystals of Single Molecule Magnets

    Science.gov (United States)

    Awaga, Kunio

    2007-03-01

    The molecular cluster Mn12 has attracted much interest as a single-molecule magnet (SMM) and as a multi-redox system. It has a high-spin ground state of S=10 and a strong uniaxial magnetic anisotropy, and the combination of the two natures makes an effective potential barrier between the up and down spin states. At low temperatures, the magnetization curve exhibited a hysteresis loop and the quantum tunneling of magnetization (QTM). In the present work, we studied the structure and magnetic properties of the mixed-metal SMM, Mn11Cr, through the analysis of Mn11Cr/Mn12 mixed crystal. High-frequency EPR spectra were well explained by assuming that Mn11Cr was in a ground spin-state of S=19/2 with nearly the same EPR parameter set as for Mn12. QTM in Mn11Cr was observed with the same field interval as for Mn12. The magnetization of Mn11Cr and Mn12 in the mixed crystal can be independently manipulated by utilizing the difference between their coercive fields. The resonance fields of QTM in Mn11Cr are significantly affected by the magnetization direction of Mn12, suggesting the effect of dipolar-biased tunneling. Besides SMM, we would also like to report the unusual magnetic properties of spherical hollow nanomagnets, the electrical properties of heterocyclic thiazyl radicals, and their possible applications in spintronics and organic electronics.

  1. Structural and dipolar properties of the voltage-dependent pore former alamethicin in octanol/dioxane.

    Science.gov (United States)

    Schwarz, G; Savko, P

    1982-01-01

    Dielectric constant and loss of the membrane-active peptide alamethicin in octanol/dioxane mixtures have been measured at frequencies between 5 kHz and 50 MHz. On the basis of a rotational mechanism of dipolar orientation, the observed dispersion provides information regarding size, shape, and dipole moment of the structural entities which the solute may assume in media of diverse lipophilicity. Particularly detailed results are obtained in a pure octanol solvent where an apparent molecular weight of alamethicin could be determined. It turns out that in this quite lipophilic medium most of the peptide material exists as a monomer particle that has approximate length and diameter of 35 and 13 A, respectively. It carries a dipole moment of approximately 75 Debye units (directed nearly parallel to the long axis). At our concentrations of a few milligrams per milliliters, appreciable formation of dimers by head-to-tail linkage is indicated. When the octanol content is reduced by adding greater amounts of dioxane, larger particles are encountered. This is accompanied by a decrease of the effective polarity. The inherent increase of hydrophilicity in the dioxane-enriched solvent apparently favors another monomer conformation that has a low dipole moment and easily aggregates to some kind of micelle. PMID:7115881

  2. Nanoscale smoothing and the analysis of interfacial charge and dipolar densities

    International Nuclear Information System (INIS)

    Junquera, Javier; Cohen, Morrel H; Rabe, Karin M

    2007-01-01

    The interface properties of interest in multilayers include interfacial charge densities, dipole densities, band offsets, and screening lengths, among others. Most such properties are inaccessible to direct measurements, but are key to understanding the physics of the multilayers. They are contained within first-principles electronic structure computations but are buried within the vast amount of quantitative information those computations generate. Thus far, they have been extracted from the numerical data by heuristic nanosmoothing procedures which do not necessarily provide results independent of the smoothing process. In the present paper we develop the theory of nanosmoothing, establishing procedures for both unpolarized and polarized systems which yield interfacial charge and dipole densities and band offsets invariant to the details of the smoothing procedures when the criteria we have established are met. We show also that dipolar charge densities, i.e. the densities of charge transferred across the interface, and screening lengths are not invariant. We illustrate our procedure with a toy model in which real, transversely averaged charge densities are replaced by sums of Gaussians. (topical review)

  3. Role of lower hybrid waves in ion heating at dipolarization fronts

    Science.gov (United States)

    Greco, A.; Artemyev, A.; Zimbardo, G.; Angelopoulos, V.; Runov, A.

    2017-05-01

    One of the important sources of hot ions in the magnetotail is the bursty bulk flows propagating away from the reconnection region and heating the ambient plasma. Charged particles interact with nonlinear magnetic field pulses (dipolarization fronts, DFs) embedded into these flows. The convection electric fields associated with DF propagation are known to reflect and accelerate ambient ions. Moreover, a wide range of waves is observed within/near these fronts, the electric field fluctuations being dominated by the lower hybrid drift (LHD) instability. Here we investigate the potential role of these waves in the further acceleration of ambient ions. We use a LHD wave emission profile superimposed on the leading edge of a two-dimensional model profile of a DF and a test particle approach. We show that LHD waves with realistic amplitudes can significantly increase the upper limit of energies gained by ions. Wave-particle interaction near the front is more effective in producing superthermal ions than in increasing the flux of thermal ions. Comparison of test particle simulations and Time History of Events and Macroscale Interactions during Substorms observations show that ion acceleration by LHD waves is more important for slower DFs.

  4. Formation of classical crystals of dipolar particles in a helical geometry

    International Nuclear Information System (INIS)

    Pedersen, J K; Fedorov, D V; Jensen, A S; Zinner, N T

    2014-01-01

    We consider crystal formation of particles with dipole–dipole interactions that are confined to move in a one-dimensional helical geometry with their dipole moments oriented along the symmetry axis of the confining helix. The stable classical lowest-energy configurations are found to be chain structures for a large range of pitch-to-radius ratios for a relatively low density of dipoles and a moderate total number of particles. The classical normal mode spectra support the chain interpretation through both structure and distinct degeneracies, depending discretely on the number of dipoles per revolution. A larger total number of dipoles leads to a clusterization where the dipolar chains move closer to each other. This implies a change in the local density and the emergence of two length scales, one for the cluster size and one for the inter-cluster distance along the helix. Starting from three dipoles per revolution, this implies a breaking of the initial periodicity to form a cluster of two chains close together and a third chain removed from the cluster. This is driven by the competition between in-chain and out-of-chain interactions, or alternatively by the side-by-side repulsion and the head-to-tail attraction in the system. The speed of sound propagates along the chains. It is independent of the number of chains, although it does depend on the geometry. (paper)

  5. Dipolar interaction induced band gaps and flat modes in surface-modulated magnonic crystals

    Science.gov (United States)

    Gallardo, R. A.; Schneider, T.; Roldán-Molina, A.; Langer, M.; Fassbender, J.; Lenz, K.; Lindner, J.; Landeros, P.

    2018-04-01

    Theoretical results for the magnetization dynamics of a magnonic crystal formed by grooves on the surface of a ferromagnetic film, called a surface-modulated magnonic crystal, are presented. For such a system, the role of the periodic dipolar field induced by the geometrical modulation is addressed by using the plane-wave method. The results reveal that, under the increasing of the depth of the grooves, zones with magnetizing and demagnetizing fields act on the system in such a way that magnonic band gaps are observed in both Damon-Eshbach and backward volume geometries. Particularly, in the backward volume configuration, high-frequency band gaps and low-frequency flat modes are obtained. By taking into account the properties of the internal field induced by the grooves, the flattening of the modes and their shift towards low frequencies are discussed and explained. To test the validity of the model, the theoretical results of this work are confirmed by micromagnetic simulations, and good agreement between both methods is achieved. The theoretical model allows for a detailed understanding of the physics underlying these kinds of systems, thereby providing an outlook for potential applications on magnonic devices.

  6. Magnetic history dependence of metastable states in thin films with dipolar interactions

    International Nuclear Information System (INIS)

    Iglesias, Oscar; Labarta, Amilcar

    2000-01-01

    We present the results of a Monte Carlo simulation of the ground state and magnetic relaxation of a model of a thin film consisting of a two-dimensional square lattice of Heisenberg spins with perpendicular anisotropy K, exchange J and long-range dipolar interactions g. We have studied the ground state configurations of this system for a wide range of the interaction parameters J/g, K/g by means of the simulated annealing procedure, showing that the model is able to reproduce the different magnetic configurations found in real samples. We have found the existence of a certain range of K/g, J/g values for which in-plane and out-of-plane configurations are quasi-degenerated in energy. We show that when a system in this region of parameters is perturbed by an external force that is subsequently removed, different kinds of ordering may be induced depending on the followed procedure. In particular, simulations of relaxations from saturation under an AC demagnetizing field or in zero field are in qualitative agreement with recent experiments on epitaxial and granular alloy thin films, which show a wide variety of magnetic patterns depending on their magnetic history

  7. Spin-locking and cross-polarization under magic-angle spinning of uniformly labeled solids.

    Science.gov (United States)

    Hung, Ivan; Gan, Zhehong

    2015-07-01

    Spin-locking and cross-polarization under magic-angle spinning are investigated for uniformly (13)C and (15)N labeled solids. In particular, the interferences from chemical shift anisotropy, and (1)H heteronuclear and (13)C homonuclear dipolar couplings are identified. The physical origin of these interferences provides guidelines for selecting the best (13)C and (15)N polarization transfer rf fields. Optimal settings for both the zero- and double-quantum cross-polarization transfer mechanisms are recommended. Copyright © 2015 Elsevier Inc. All rights reserved.

  8. Cα chemical shift tensors in helical peptides by dipolar-modulated chemical shift recoupling NMR

    International Nuclear Information System (INIS)

    Yao Xiaolan; Yamaguchi, Satoru; Hong Mei

    2002-01-01

    The Cα chemical shift tensors of proteins contain information on the backbone conformation. We have determined the magnitude and orientation of the Cα chemical shift tensors of two peptides with α-helical torsion angles: the Ala residue in G*AL (φ=-65.7 deg., ψ=-40 deg.), and the Val residue in GG*V (φ=-81.5 deg., ψ=-50.7 deg.). The magnitude of the tensors was determined from quasi-static powder patterns recoupled under magic-angle spinning, while the orientation of the tensors was extracted from Cα-Hα and Cα-N dipolar modulated powder patterns. The helical Ala Cα chemical shift tensor has a span of 36 ppm and an asymmetry parameter of 0.89. Its σ 11 axis is 116 deg. ± 5 deg. from the Cα-Hα bond while the σ 22 axis is 40 deg. ± 5 deg. from the Cα-N bond. The Val tensor has an anisotropic span of 25 ppm and an asymmetry parameter of 0.33, both much smaller than the values for β-sheet Val found recently (Yao and Hong, 2002). The Val σ 33 axis is tilted by 115 deg. ± 5 deg. from the Cα-Hα bond and 98 deg. ± 5 deg. from the Cα-N bond. These represent the first completely experimentally determined Cα chemical shift tensors of helical peptides. Using an icosahedral representation, we compared the experimental chemical shift tensors with quantum chemical calculations and found overall good agreement. These solid-state chemical shift tensors confirm the observation from cross-correlated relaxation experiments that the projection of the Cα chemical shift tensor onto the Cα-Hα bond is much smaller in α-helices than in β-sheets

  9. The Effect of Combined Magnetic Geometries on Thermally Driven Winds. II. Dipolar, Quadrupolar, and Octupolar Topologies

    Science.gov (United States)

    Finley, Adam J.; Matt, Sean P.

    2018-02-01

    During the lifetime of Sun-like or low-mass stars a significant amount of angular momentum is removed through magnetized stellar winds. This process is often assumed to be governed by the dipolar component of the magnetic field. However, observed magnetic fields can host strong quadrupolar and/or octupolar components, which may influence the resulting spin-down torque on the star. In Paper I, we used the MHD code PLUTO to compute steady-state solutions for stellar winds containing a mixture of dipole and quadrupole geometries. We showed the combined winds to be more complex than a simple sum of winds with these individual components. This work follows the same method as Paper I, including the octupole geometry, which not only increases the field complexity but also, more fundamentally, looks for the first time at combining the same symmetry family of fields, with the field polarity of the dipole and octupole geometries reversing over the equator (unlike the symmetric quadrupole). We show, as in Paper I, that the lowest-order component typically dominates the spin-down torque. Specifically, the dipole component is the most significant in governing the spin-down torque for mixed geometries and under most conditions for real stars. We present a general torque formulation that includes the effects of complex, mixed fields, which predicts the torque for all the simulations to within 20% precision, and the majority to within ≈5%. This can be used as an input for rotational evolution calculations in cases where the individual magnetic components are known.

  10. Two-dimensional discrete solitons in dipolar Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Gligoric, Goran; Stepic, Milutin; Hadzievski, Ljupco; Maluckov, Aleksandra; Malomed, Boris A.

    2010-01-01

    We analyze the formation and dynamics of bright unstaggered solitons in the disk-shaped dipolar Bose-Einstein condensate, which features the interplay of contact (collisional) and long-range dipole-dipole (DD) interactions between atoms. The condensate is assumed to be trapped in a strong optical-lattice potential in the disk's plane, hence it may be approximated by a two-dimensional (2D) discrete model, which includes the on-site nonlinearity and cubic long-range (DD) interactions between sites of the lattice. We consider two such models, which differ by the form of the on-site nonlinearity, represented by the usual cubic term, or more accurate nonpolynomial one, derived from the underlying three-dimensional Gross-Pitaevskii equation. Similar results are obtained for both models. The analysis is focused on the effects of the DD interaction on fundamental localized modes in the lattice (2D discrete solitons). The repulsive isotropic DD nonlinearity extends the existence and stability regions of the fundamental solitons. New families of on-site, inter-site, and hybrid solitons, built on top of a finite background, are found as a result of the interplay of the isotropic repulsive DD interaction and attractive contact nonlinearity. By themselves, these solutions are unstable, but they evolve into robust breathers which exist on an oscillating background. In the presence of the repulsive contact interactions, fundamental localized modes exist if the DD interaction (attractive isotropic or anisotropic) is strong enough. They are stable in narrow regions close to the anticontinuum limit, while unstable solitons evolve into breathers. In the latter case, the presence of the background is immaterial.

  11. Characterization and modelling of microwave multi dipole plasmas. Application to multi dipolar plasma assisted sputtering; Caracterization et modelisation des plasmas micro-onde multi-dipolaires. Application a la pulverisation assistee par plasma multi-dipolaire

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Tan Vinh [Universite Joseph Fourier/CNRS-IN2P3, 53 Avenue des Martyrs, F-38026 Grenoble (France)

    2006-07-01

    The scaling up of plasma processes in the low pressure range remains a question to be solved for their rise at the industrial level. One solution is the uniform distribution of elementary plasma sources where the plasma is produced via electron cyclotron resonance (ECR) coupling. These elementary plasma sources are made up of a cylindrical permanent magnet (magnetic dipole) set at the end of a coaxial microwave line. Although of simple concept, the optimisation of these dipolar plasma sources is in fact a complex problem. It requires the knowledge, on one hand, of the configurations of static magnetic fields and microwave electric fields, and, on the other hand, of the mechanisms of plasma production in the region of high intensity magnetic field (ECR condition), and of plasma diffusion. Therefore, the experimental characterisation of the operating ranges and plasma parameters has been performed by Langmuir probes and optical emission spectroscopy on different configurations of dipolar sources. At the same time, in a first analytical approach, calculations have been made on simple magnetic field configurations, motion and trajectory of electrons in these magnetic fields, and the acceleration of electrons by ECR coupling. Then, the results have been used for the validation of the numerical modelling of the electron trajectories by using a hybrid PIC (particle-in-cell) / MC (Monte Carlo) method. The experimental study has evidenced large operating domains, between 15 and 200 W of microwave power, and from 0.5 to 15 mTorr argon pressure. The analysis of plasma parameters has shown that the region of ECR coupling is localised near the equatorial plane of the magnet and dependent on magnet geometry. These characterizations, applied to a cylindrical reactor using 48 sources, have shown that densities between 10{sup 11} and 10{sup 12} cm{sup -3} could be achieved in the central part of the volume at a few mTorr argon pressures. The modelling of electron trajectories near

  12. Free energy landscapes of electron transfer system in dipolar environment below and above the rotational freezing temperature

    International Nuclear Information System (INIS)

    Suzuki, Yohichi; Tanimura, Yoshitaka

    2007-01-01

    Electron transfer reaction in a polar solvent is modeled by a solute dipole surrounded by dipolar molecules with simple rotational dynamics posted on the three-dimensional distorted lattice sites. The interaction energy between the solute and solvent dipoles as a reaction coordinate is adopted and free energy landscapes are calculated by generating all possible states for a 26 dipolar system and by employing Wang-Landau sampling algorithm for a 92 dipolar system. For temperatures higher than the energy scale of dipole-dipole interactions, the free energy landscapes for the small reaction coordinate region have quadratic shape as predicted by Marcus [Rev. Mod. Phys. 65, 599 (1993)] whereas for the large reaction coordinate region, the landscapes exhibit a nonquadratic shape. When the temperature drops, small notched structures appear on the free energy profiles because of the frustrated interactions among dipoles. The formation of notched structure is analyzed with statistical approach and it is shown that the amplitude of notched structure depend upon the segment size of the reaction coordinate and is characterized by the interaction energy among the dipoles. Using simulated free energy landscapes, the authors calculate the reaction rates as a function of the energy gap for various temperatures. At high temperature, the reactions rates follow a bell shaped (inverted parabolic) energy gap law in the small energy gap regions, while it becomes steeper than the parabolic shape in a large energy gap regions due to the nonquadratic shape of the free energy landscape. The peak position of parabola also changes as the function of temperature. At low temperature, the profile of the reaction rates is no longer smooth because of the many local minima of the free energy landscape

  13. Photoswitchable molecular dipole antennas with tailored coherent coupling in glassy composite

    DEFF Research Database (Denmark)

    Elbahri, Mady; Zillohu, Ahnaf Usman; Gothe, Bastian

    2015-01-01

    . We also introduce the concept of 'tailored molecular photonic coupling' while highlighting the role of interferences for the design of optically active media by adjusting the photonic response of the medium with the real and imaginary refractive index of photoswitchable molecules in the 'ON' state...... alteration of photochromic molecular dipole antennas. We successfully demonstrate the concept of Brewster wavelength, which is based on the dipolar interaction between radiating dipoles and the surrounding matrix possessing a net dipole moment, as a key tool for highly localized sensing of matrix polarity....... Our results enhance our fundamental understanding of coherent dipole radiation and open a new vein of research based on glassy disordered dipolar composites that act as macroscopic antenna with cooperative action; furthermore, these results have important implications for new design rules of tailored...

  14. Regio- and Stereoselective Cascades via Aldol Condensation and 1,3-Dipolar Cycloaddition for Construction of Functional Pyrrolizidine Derivatives.

    Science.gov (United States)

    Mao, Zhuo-Ya; Liu, Yi-Wen; Han, Pan; Dong, Han-Qing; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang

    2018-02-16

    An efficient and step-economical approach to access functionalized pyrrolizidine derivatives by a one-pot tandem sequence, including an aldol condensation and subsequent 1,3-dipolar cycloaddition process, has been developed, starting from acetone, aldehyde, and proline. A number of substituted aromatic aldehydes were amenable to this transformation, and the desired products, racemic 7a-7w and chiral 9a-9m, were obtained with excellent regioselectivities and outstanding diastereoselectivities. Moreover, in situ NMR studies revealed MgSO 4 could effectively promote the aldol condensation pathway in this tandem process.

  15. Modeling liquid-vapor equilibria with an equation of state taking into account dipolar interactions and association by hydrogen bonding

    International Nuclear Information System (INIS)

    Perfetti, E.

    2006-11-01

    Modelling fluid-rock interactions as well as mixing and unmixing phenomena in geological processes requires robust equations of state (EOS) which must be applicable to systems containing water, gases over a broad range of temperatures and pressures. Cubic equations of state based on the Van der Waals theory (e. g. Soave-Redlich-Kwong or Peng-Robinson) allow simple modelling from the critical parameters of the studied fluid components. However, the accuracy of such equations becomes poor when water is a major component of the fluid since neither association trough hydrogen bonding nor dipolar interactions are accounted for. The Helmholtz energy of a fluid may be written as the sum of different energetic contributions by factorization of partition function. The model developed in this thesis for the pure H 2 O and H 2 S considers three contributions. The first contribution represents the reference Van der Waals fluid which is modelled by the SRK cubic EOS. The second contribution accounts for association through hydrogen bonding and is modelled by a term derived from Cubic Plus Association (CPA) theory. The third contribution corresponds to the dipolar interactions and is modelled by the Mean Spherical Approximation (MSA) theory. The resulting CPAMSA equation has six adjustable parameters, which three represent physical terms whose values are close to their experimental counterpart. This equation results in a better reproduction of the thermodynamic properties of pure water than obtained using the classical CPA equation along the vapour-liquid equilibrium. In addition, extrapolation to higher temperatures and pressure is satisfactory. Similarly, taking into account dipolar interactions together with the SRK cubic equation of state for calculating molar volume of H 2 S as a function of pressure and temperature results in a significant improvement compared to the SRK equation alone. Simple mixing rules between dipolar molecules are proposed to model the H 2 O-H 2 S

  16. Anisotropy of the nuclear magnetic relaxation times induced in solid 3He by modulation of the dipolar interactions

    International Nuclear Information System (INIS)

    Deville, G.

    1976-01-01

    Anisotropic nuclear relaxation times have been measured in solid 3 He samples grown at constant pressure, in the Larmor frequency range 1.5MHz-5MHz where the main relaxation mechanism is the modulation of the dipolar interaction by exchange or by motion of the vacancies. The second order calculation made by Harris for the exchange induced relaxation regime is extended to the regime where vacancy motion dominates. The theory is further refined by considering the fourth moment anisotropy effect on the spectral densities. This latter calculation yields a frequency dependent anisotropic contribution to T 1 which agrees qualitatively with the data, unlike the simpler results by Harris [fr

  17. Improving the calculation of electron paramagnetic resonance hyperfine coupling tensors for d-block metals

    DEFF Research Database (Denmark)

    Hedegård, Erik Donovan; Kongsted, Jacob; Sauer, Stephan P. A.

    2012-01-01

    Calculation of hyperfine coupling constants (HFCs) of Electron Paramagnetic Resonance from first principles can be a beneficial compliment to experimental data in cases where the molecular structure is unknown. We have recently investigated basis set convergence of HFCs in d-block complexes...... and obtained a set of basis functions for the elements Sc–Zn, which were saturated with respect to both the Fermi contact and spin-dipolar components of the hyperfine coupling tensor [Hedeg°ard et al., J. Chem. Theory Comput., 2011, 7, pp. 4077-4087]. Furthermore, a contraction scheme was proposed leading...

  18. Torsional Alfvén Waves in a Dipolar Magnetic Field

    Science.gov (United States)

    Nataf, H. C.; Tigrine, Z.; Cardin, P.; Schaeffer, N.

    2017-12-01

    The discovery of torsional Alfvén waves in the Earth's core (Gillet et al, 2010) is a strong motivation for investigating the properties of these waves. Here, we report on the first experimental study of such waves. Alfvén waves are difficult to excite and observe in liquid metals because of their high magnetic diffusivity. Nevertheless, we obtained clear signatures of such diffusive waves in our DTS experiment. In this setup, some 40 liters of liquid sodium are contained between a ro = 210 mm-radius stainless steel outer shell, and a ri = 74 mm-radius copper inner sphere. Both spherical boundaries can rotate independently around a common vertical axis. The inner sphere shells a strong permanent magnet, which produces a nearly dipolar magnetic field whose intensity falls from 175 mT at ri to 8 mT at ro in the equatorial plane. We excite Alfvén waves in the liquid sodium by applying a sudden jerk of the inner sphere. To study the effect of global rotation, which leads to the formation of geostrophic torsional Alfvén waves, we spin the experiment at rotation rates fo = fi up to 15 Hz. The Alfvén wave produces a clear azimuthal magnetic signal on magnetometers installed in a sleeve inside the fluid. We also probe the associated azimuthal velocity field using ultrasound Doppler velocimetry. Electric potentials at the surface of the outer sphere turn out to be very revealing as well. In parallel, we use the XSHELLS magnetohydrodynamics spherical code to model torsional Alfvén waves in the experimental conditions, and beyond. We explore both linear and non-linear regimes. We observe a strong excitation of inertial waves in the equatorial plane, where the wave transits from a region of strong magnetic field to a region dominated by rotation (see figure of meridian map of azimuthal velocity). These novel observations should help deciphering the dynamics of Alfvén waves in planetary cores.

  19. Role of dipolar interactions on morphologies and tunnel magnetoresistance in assemblies of magnetic nanoparticles

    Science.gov (United States)

    Anand, Manish; Carrey, Julian; Banerjee, Varsha

    2018-05-01

    We undertake comprehensive simulations of 2d arrays (Lx ×Ly) of magnetic nanoparticles (MNPs) with dipole-dipole interactions by solving LLG equations. Our primary interest is to understand the correspondence between equilibrium spin (ES) morphologies and tunnel magnetoresistance (TMR) as a function of Θ - the ratio of the dipolar to the anisotropy strength, sample size Lx , aspect ratio Ar =Ly /Lx and the direction of the applied field H → = HêH . The parameter Θ is varied by choosing three distinct particles: (i) α -Fe2O3 (Θ ≃ 0) , (ii) Co (Θ ≃ 0.37) and (iii) Fe3O4 (Θ ≃ 1.28) . Our main observations are as follows: (a) For weakly interacting spins (Θ ≃ 0) , the morphology has randomly oriented magnetic moments for all sample sizes and aspect ratios. The TMR exhibits a peak value of 50% at the coercive field Hc . It is robust with respect to Lx and Ar , and isotropic with respect to êH . (b) For strong interactions (Θ > 1) , the moments order in the plane of the sample. The ES morphology comprises of magnetically aligned regions interspersed with flux closure loops. For fields along x or y, the maximum TMR amplitude decrease to ∼30%. For êH = z ̂ , it drops to ∼3%. The TMR is robust with respect to Lx and Ar and isotropic in the x and y directions only. (c) In strongly interacting samples (Θ > 1) with Lx comparable to the size of a flux closure loop, increasing Ar creates ferromagnetic chains in the sample oriented along y or - y . Consequently, for êH = y ̂ , the TMR magnitude for Ar = 1 is ∼33% while that for Ar = 32 drops to ∼16%. For êH = x ̂ on the other hand, it is ∼30% and independent of Ar . The TMR of long ribbons of MNPs has a strong dependence on Ar and is anisotropic in all three directions.

  20. AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.

    Science.gov (United States)

    Koehl, Patrice; Delarue, Marc

    2010-02-14

    The Poisson-Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson-Boltzmann-Langevin (DPBL) formalism represents the solvent as a collection of orientable dipoles with nonuniform concentration; this leads to a nonlinear permittivity function that depends both on the position and on the local electric field at that position. The differences in the assumptions underlying these two models lead to significant differences in the equations they generate. The PB equation is a second order, elliptic, nonlinear partial differential equation (PDE). Its response coefficients correspond to the dielectric permittivity and are therefore constant within each subdomain of the system considered (i.e., inside and outside of the molecules considered). While the DPBL equation is also a second order, elliptic, nonlinear PDE, its response coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed for the PB equation; to our knowledge, none of these can be directly applied to the DPBL equation. The methods they use may adapt to the difference; their implementations however are PBE specific. We adapted the PBE solver originally developed by Holst and Saied [J. Comput. Chem. 16, 337 (1995)] to the problem of solving the DPBL equation. This solver uses a truncated Newton method with a multigrid preconditioner. Numerical evidences suggest that it converges for the DPBL equation and that the convergence is superlinear. It is found however to be slow and greedy in memory requirement for problems commonly encountered in computational biology and computational chemistry. To circumvent these problems, we propose two variants, a quasi-Newton solver based on a simplified, inexact Jacobian and an iterative self-consistent solver that is based directly on the PBE

  1. NMR polarization echoes in a nematic liquid crystal

    Science.gov (United States)

    Levstein, Patricia R.; Chattah, Ana K.; Pastawski, Horacio M.; Raya, Jésus; Hirschinger, Jérôme

    2004-10-01

    We have modified the polarization echo (PE) sequence through the incorporation of Lee-Goldburg cross polarization steps to quench the 1H-1H dipolar dynamics. In this way, the 13C becomes an ideal local probe to inject and detect polarization in the proton system. This improvement made possible the observation of the local polarization P00(t) and polarization echoes in the interphenyl proton of the liquid crystal N-(4-methoxybenzylidene)-4-butylaniline. The decay of P00(t) was well fitted to an exponential law with a characteristic time τC≈310 μs. The hierarchy of the intramolecular dipolar couplings determines a dynamical bottleneck that justifies the use of the Fermi Golden Rule to obtain a spectral density consistent with the structural parameters. The time evolution of P00(t) was reversed by the PE sequence generating echoes at the time expected by the scaling of the dipolar Hamiltonian. This indicates that the reversible 1H-1H dipolar interaction is the main contribution to the local polarization decrease and that the exponential decay for P00(t) does not imply irreversibility. The attenuation of the echoes follows a Gaussian law with a characteristic time τφ≈527 μs. The shape and magnitude of the characteristic time of the PE decay suggest that it is dominated by the unperturbed homonuclear dipolar Hamiltonian. This means that τφ is an intrinsic property of the dipolar coupled network and not of other degrees of freedom. In this case, one cannot unambiguously identify the mechanism that produces the decoherence of the dipolar order. This is because even weak interactions are able to break the fragile multiple coherences originated on the dipolar evolution, hindering its reversal. Other schemes to investigate these underlying mechanisms are proposed.

  2. Wetting behavior of nonpolar nanotubes in simple dipolar liquids for varying nanotube diameter and solute-solvent interactions

    Energy Technology Data Exchange (ETDEWEB)

    Rana, Malay Kumar; Chandra, Amalendu, E-mail: amalen@iitk.ac.in [Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208016 (India)

    2015-01-21

    Atomistic simulations of model nonpolar nanotubes in a Stockmayer liquid are carried out for varying nanotube diameter and nanotube-solvent interactions to investigate solvophobic interactions in generic dipolar solvents. We have considered model armchair type single-walled nonpolar nanotubes with increasing radii from (5,5) to (12,12). The interactions between solute and solvent molecules are modeled by the well-known Lennard-Jones and repulsive Weeks-Chandler-Andersen potentials. We have investigated the density profiles and microscopic arrangement of Stockmayer molecules, orientational profiles of their dipole vectors, time dependence of their occupation, and also the translational and rotational motion of solvent molecules in confined environments of the cylindrical nanopores and also in their external peripheral regions. The present results of structural and dynamical properties of Stockmayer molecules inside and near atomistically rough nonpolar surfaces including their wetting and dewetting behavior for varying interactions provide a more generic picture of solvophobic effects experienced by simple dipolar liquids without any specific interactions such as hydrogen bonds.

  3. Ultrafast responses of dipolar and V-shaped dipicolinate derivatives with potential applications in the labeling of biomolecules

    Science.gov (United States)

    Wang, Yaochuan; Liu, Siyuan; Liu, Dajun; Wang, Guiqiu; Xiao, Haibo

    2016-02-01

    A dipolar dipicolinate derivative, trans-dimethyl-4-[4'-(N,N-diphenylamino)-styry1]-pyridin-2,6-dicarboxylate (P-1), and a P-1based V-shaped compound, {4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl) vinyl]}-N-phenyl-N-{4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl)vinylphenyl]}aniline (P-2), with intense two-photon fluorescence emission properties were systematically investigated by using steady-state absorption and fluorescence spectroscopy, open-aperture Z-scans, and two-photon excited fluorescence (TPF). The two-photon absorption cross-section of the V-shaped compound P-2 in tetrahydrofuran (THF) was determined to be 208 GM, which represents a 6.5-fold enhancement compared with its dipolar counterpart P-1 (32 GM). Extension of the intramolecular charge transfer (ICT) in the V-shaped dipicolinate derivative has been suggested as the mechanism of enhancement. The excited state dynamics from transient absorption spectroscopy were analyzed and discussed. The formation and relaxation lifetimes of the ICT state for these dipicolinate derivatives in THF solutions were found to be several picoseconds and several hundred picoseconds, respectively. The results show an increased ICT character of the V-shaped compound and a potential application for this compound in two-photon fluorescence imaging fields.

  4. Ultrafast responses of dipolar and V-shaped dipicolinate derivatives with potential applications in the labeling of biomolecules

    Directory of Open Access Journals (Sweden)

    Yaochuan Wang

    2016-02-01

    Full Text Available A dipolar dipicolinate derivative, trans-dimethyl-4-[4′-(N,N-diphenylamino-styry1]-pyridin-2,6-dicarboxylate (P-1, and a P-1based V-shaped compound, {4-[(E-2-(2,6-dimethoxycarbonylpyridin-4-yl vinyl]}-N-phenyl-N-{4-[(E-2-(2,6-dimethoxycarbonylpyridin-4-ylvinylphenyl]}aniline (P-2, with intense two-photon fluorescence emission properties were systematically investigated by using steady-state absorption and fluorescence spectroscopy, open-aperture Z-scans, and two-photon excited fluorescence (TPF. The two-photon absorption cross-section of the V-shaped compound P-2 in tetrahydrofuran (THF was determined to be 208 GM, which represents a 6.5-fold enhancement compared with its dipolar counterpart P-1 (32 GM. Extension of the intramolecular charge transfer (ICT in the V-shaped dipicolinate derivative has been suggested as the mechanism of enhancement. The excited state dynamics from transient absorption spectroscopy were analyzed and discussed. The formation and relaxation lifetimes of the ICT state for these dipicolinate derivatives in THF solutions were found to be several picoseconds and several hundred picoseconds, respectively. The results show an increased ICT character of the V-shaped compound and a potential application for this compound in two-photon fluorescence imaging fields.

  5. Field dipolarization in Saturn's magnetotail with planetward ion flows and energetic particle flow bursts: Evidence of quasi-steady reconnection.

    Science.gov (United States)

    Jackman, C M; Thomsen, M F; Mitchell, D G; Sergis, N; Arridge, C S; Felici, M; Badman, S V; Paranicas, C; Jia, X; Hospodarksy, G B; Andriopoulou, M; Khurana, K K; Smith, A W; Dougherty, M K

    2015-05-01

    We present a case study of an event from 20 August (day 232) of 2006, when the Cassini spacecraft was sampling the region near 32 R S and 22 h LT in Saturn's magnetotail. Cassini observed a strong northward-to-southward turning of the magnetic field, which is interpreted as the signature of dipolarization of the field as seen by the spacecraft planetward of the reconnection X line. This event was accompanied by very rapid (up to ~1500 km s -1 ) thermal plasma flow toward the planet. At energies above 28 keV, energetic hydrogen and oxygen ion flow bursts were observed to stream planetward from a reconnection site downtail of the spacecraft. Meanwhile, a strong field-aligned beam of energetic hydrogen was also observed to stream tailward, likely from an ionospheric source. Saturn kilometric radiation emissions were stimulated shortly after the observation of the dipolarization. We discuss the field, plasma, energetic particle, and radio observations in the context of the impact this reconnection event had on global magnetospheric dynamics.

  6. Computing distance distributions from dipolar evolution data with overtones: RIDME spectroscopy with Gd(iii)-based spin labels.

    Science.gov (United States)

    Keller, Katharina; Mertens, Valerie; Qi, Mian; Nalepa, Anna I; Godt, Adelheid; Savitsky, Anton; Jeschke, Gunnar; Yulikov, Maxim

    2017-07-21

    Extraction of distance distributions between high-spin paramagnetic centers from relaxation induced dipolar modulation enhancement (RIDME) data is affected by the presence of overtones of dipolar frequencies. As previously proposed, we account for these overtones by using a modified kernel function in Tikhonov regularization analysis. This paper analyzes the performance of such an approach on a series of model compounds with the Gd(iii)-PyMTA complex serving as paramagnetic high-spin label. We describe the calibration of the overtone coefficients for the RIDME kernel, demonstrate the accuracy of distance distributions obtained with this approach, and show that for our series of Gd-rulers RIDME technique provides more accurate distance distributions than Gd(iii)-Gd(iii) double electron-electron resonance (DEER). The analysis of RIDME data including harmonic overtones can be performed using the MATLAB-based program OvertoneAnalysis, which is available as open-source software from the web page of ETH Zurich. This approach opens a perspective for the routine use of the RIDME technique with high-spin labels in structural biology and structural studies of other soft matter.

  7. Complete devil's staircase and crystal-superfluid transitions in a dipolar XXZ spin chain: a trapped ion quantum simulation

    International Nuclear Information System (INIS)

    Hauke, Philipp; Cucchietti, Fernando M; Lewenstein, Maciej; Mueller-Hermes, Alexander; Banuls, Mari-Carmen; Ignacio Cirac, J

    2010-01-01

    Systems with long-range interactions show a variety of intriguing properties: they typically accommodate many metastable states, they can give rise to spontaneous formation of supersolids, and they can lead to counterintuitive thermodynamic behavior. However, the increased complexity that comes with long-range interactions strongly hinders theoretical studies. This makes a quantum simulator for long-range models highly desirable. Here, we show that a chain of trapped ions can be used to quantum simulate a one-dimensional (1D) model of hard-core bosons with dipolar off-site interaction and tunneling, equivalent to a dipolar XXZ spin-1/2 chain. We explore the rich phase diagram of this model in detail, employing perturbative mean-field theory, exact diagonalization and quasi-exact numerical techniques (density-matrix renormalization group and infinite time-evolving block decimation). We find that the complete devil's staircase-an infinite sequence of crystal states existing at vanishing tunneling-spreads to a succession of lobes similar to the Mott lobes found in Bose-Hubbard models. Investigating the melting of these crystal states at increased tunneling, we do not find (contrary to similar 2D models) clear indications of supersolid behavior in the region around the melting transition. However, we find that inside the insulating lobes there are quasi-long-range (algebraic) correlations, as opposed to models with nearest-neighbor tunneling, that show exponential decay of correlations.

  8. Entrepreneurial Couples

    DEFF Research Database (Denmark)

    Dahl, Michael S.; Van Praag, Mirjam; Thompson, Peter

    2015-01-01

    We study possible motivations for co-entreprenurial couples to start up a joint firm, using a sample of 1,069 Danish couples that established a joint enterprise between 2001 and 2010. We compare their pre-entry characteristics, firm performance and post-dissolution private and financial outcomes...

  9. Effects of the competition between the exchange and dipolar interactions in the spin-wave spectrum of two-dimensional circularly magnetized nanodots

    International Nuclear Information System (INIS)

    Mamica, S; Krawczyk, M; Lévy, J-C S

    2014-01-01

    We use a microscopic theory taking into account the dipolar and nearest-neighbour exchange interactions for exploring spin-wave excitations in two-dimensional magnetic dots in the vortex state. Normal modes of different profiles are observed: azimuthal and radial modes, as well as fundamental (quasiuniform) and highly localized modes. We examine the dependence of the frequencies and profiles of these modes on the dipolar-to-exchange interaction ratio and the size of the dot. Special attention is paid to some particular modes, including the lowest mode in the spectrum and the evolution of its profile, and the fundamental mode, the frequency of which proves almost independent of the dipolar-to-exchange interaction ratio. We also provide a selective overview of the experimental, analytical and numerical results from the literature, where different profiles of the lowest mode are reported. We attribute this diversity to the competition between the dipolar and exchange interactions. Finally, we study the hybridization of the modes, show the multi-mode hybridization and explain the selection rules. (paper)

  10. Adhesion of Photon-Driven Molecular Motors to Surfaces via 1,3-Dipolar Cycloadditions : Effect of Interfacial Interactions on Molecular Motion

    NARCIS (Netherlands)

    Carroll, Gregory T.; London, Gabor; Fernández Landaluce, Tatiana; Rudolf, Petra; Feringa, Ben L.

    We report the attachment of altitudinal light-driven molecular motors to surfaces using 1,3-dipolar cycloaddition reactions. Molecular motors were designed containing azide or alkyne groups for attachment to alkyne- or azide-modified surfaces. Surface attachment was characterized by UV-vis, IR, XPS,

  11. Mono and dinuclear arene ruthenium(II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds

    Digital Repository Service at National Institute of Oceanography (India)

    Singh, K.S.; Svitlyk, V.; Mozharivskyj, Y.

    = Me, 3 or Et, 4). In contrast, a similar 1,3-dipolar cycloaddition reaction of (((Eta sup(6)-C sub(6)Me sub(6))Ru(L sub(2))N sub(3))) (2) (where; L sub(2) = tropolone) with acetylene yielded the monomeric triazole compound ((Eta sup(6)-C sub(6)Me sub(6...

  12. BaZr.sub.0.5./sub.Ti.sub.0.5./sub.O.sub.3./sub.: Lead-free relaxor ferroelectric or dipolar glass

    Czech Academy of Sciences Publication Activity Database

    Filipič, C.; Kutnjak, Z.; Pirc, R.; Canu, G.; Petzelt, Jan

    2016-01-01

    Roč. 93, č. 22 (2016), 1-7, č. článku 224105. ISSN 2469-9950 Institutional support: RVO:68378271 Keywords : relaxor ferroelectric * dipolar glass * dielectric relaxation * Edwards-Anderson parameter Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  13. Entrepreneurial Couples

    DEFF Research Database (Denmark)

    Dahl, Michael S.; Van Praag, Mirjam; Thompson, Peter

    with a selected set of comparable firms and couples. We find evidence that couples often establish a business together because one spouse – most commonly the female – has limited outside opportunities in the labor market. However, the financial benefits for each of the spouses, and especially the female......We study possible motivations for co-entrepenurial couples to start up a joint firm, using a sample of 1,069 Danish couples that established a joint enterprise between 2001 and 2010. We compare their pre-entry characteristics, firm performance and postdissolution private and financial outcomes......, are larger in co-entrepreneurial firms, both during the life of the business and post-dissolution. The start-up of co-entrepreneurial firms seems therefore a sound investment in the human capital of both spouses as well as in the reduction of income inequality in the household. We find no evidence of non...

  14. Entrepreneurial Couples

    DEFF Research Database (Denmark)

    Dahl, Michael S.; Van Praag, Mirjam; Thompson, Peter

    with a selected set of comparable firms and couples. We find evidence that couples often establish a business together because one spouse - most commonly the female - has limited outside opportunities in the labor market. However, the financial benefits for each of the spouses, and especially the female......We study possible motivations for co-entrepenurial couples to start up a joint firm, us-ing a sample of 1,069 Danish couples that established a joint enterprise between 2001 and 2010. We compare their pre-entry characteristics, firm performance and post-dissolution private and financial outcomes......, are larger in co-entrepreneurial firms, both during the life of the business and post-dissolution. The start-up of co-entrepreneurial firms seems therefore a sound in-vestment in the human capital of both spouses as well as in the reduction of income inequality in the household. We find no evidence of non...

  15. Dipolar versus octupolar triphenylamine-based fluorescent organic nanoparticles as brilliant one- and two-photon emitters for (bio)imaging.

    Science.gov (United States)

    Parthasarathy, Venkatakrishnan; Fery-Forgues, Suzanne; Campioli, Elisa; Recher, Gaëlle; Terenziani, Francesca; Blanchard-Desce, Mireille

    2011-11-18

    Two related triphenylamine-based dipolar and octupolar fluorophores are used to prepare aqueous suspensions of fluorescent organic nanoparticles (FONs) via the reprecipitation method. The obtained spherical nanoparticles (30-40 nm in diameter) are fluorescent in aqueous solution (up to 15% fluorescence quantum yield) and exhibit extremely high one- and two-photon brightness, superior to those obtained for quantum dots. Despite the two chromophores showing similar fluorescence in solution, the fluorescence of FONs made from the octupolar derivative is significantly red-shifted compared to that generated by the dipolar FONs. In addition, the maximum two-photon absorption cross section of the FONs made from the octupolar derivative is 55% larger than that of the dipolar derivative FONs. The experimental observations provide evidence that the different molecular shape (rodlike versus three-branched) and charge distribution (dipolar versus octupolar) of the two chromophores strongly affect the packing inside the nanoparticles as well as their spectroscopic properties and colloidal stability in pure water. The use of these FONs as probes for biphotonic in-vivo imaging is investigated on Xenopus laevis tadpoles to test their utilization for angiography. When using FONs made from the octupolar dye, the formation of microagglomerates (2-5 μm scale) is observed in vivo, with subsequent lethal occlusion of the blood vessels. Conversely, the nanoparticles of the dipolar dye allow acute imaging of blood vessels thanks to their suitable size and brightness, while no toxic effect is observed. Such a goal cannot be achieved with the dissolved dye, which permeates the vessel walls. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Acousto-exciton interaction in a gas of 2D indirect dipolar excitons in the presence of disorder

    Energy Technology Data Exchange (ETDEWEB)

    Kovalev, V. M.; Chaplik, A. V., E-mail: chaplik@isp.nsc.ru [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation)

    2016-03-15

    A theory for the linear and quadratic responses of a 2D gas of indirect dipolar excitons to an external surface acoustic wave perturbation in the presence of a static random potential is considered. The theory is constructed both for high temperatures, definitely greater than the exciton gas condensation temperature, and at zero temperature by taking into account the Bose–Einstein condensation effects. The particle Green functions, the density–density correlation function, and the quadratic response function are calculated by the “cross” diagram technique. The results obtained are used to calculate the absorption of Rayleigh surface waves and the acoustic exciton gas drag by a Rayleigh wave. The damping of Bogoliubov excitations in an exciton condensate due to theirs scattering by a random potential has also been determined.

  17. Study of the growth and pyroelectric properties of TGS crystals doped with aniline-family dipolar molecules

    Science.gov (United States)

    Zhang, Kecong; Song, Jiancheng; Wang, Min; Fang, Changshui; Lu, Mengkai

    1987-04-01

    TGS crystals doped with aniline-family dipolar molecules (aniline, 2-aminobenzoic acid, 3-aminobenzoic acid, 3-aminobenzene-sulphonic acid, 4-aminobenzenesulphonic acid and 4-nitroraniline) have been grown by the slow-cooling solution method. The influence of these dopants on the growth habits, crystal morphology pyroelectric properties, and structure parameters of TGS crystals has been systematically investigated. The effects of the domain structure of the seed crystal on the pyroelectric properties of the doped crystals have been studied. It is found that the spontaneous polarization (P), pyroelectric coefficient (lambda), and internal bias field of the doped crystals are slightly higher than those of the pure TGS, and the larger the dipole moment of the dopant molecule, the higher the P and lambda of the doped TGS crystal.

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

    Science.gov (United States)

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

    2015-09-28

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

  19. Electron thermal effect on linear and nonlinear coupled Shukla-Varma and convective cell modes in dust-contaminated magnetoplasma

    Science.gov (United States)

    Masood, W.; Mirza, Arshad M.

    2010-11-01

    Linear and nonlinear properties of coupled Shukla-Varma (SV) and convective cell modes in the presence of electron thermal effects are studied in a nonuniform magnetoplasma composed of electrons, ions, and extremely massive and negatively charged immobile dust grains. In the linear case, the modified dispersion relation is given and, in the nonlinear case, stationary solutions of the nonlinear equations that govern the dynamics of coupled SV and convective cell modes are obtained. It is found that electrostatic dipolar and vortex street type solutions can appear in such a plasma. The relevance of the present investigation with regard to the Earth's mesosphere as well as in ionospheric plasmas is also pointed out.

  20. Electron thermal effect on linear and nonlinear coupled Shukla-Varma and convective cell modes in dust-contaminated magnetoplasma

    International Nuclear Information System (INIS)

    Masood, W.; Mirza, Arshad M.

    2010-01-01

    Linear and nonlinear properties of coupled Shukla-Varma (SV) and convective cell modes in the presence of electron thermal effects are studied in a nonuniform magnetoplasma composed of electrons, ions, and extremely massive and negatively charged immobile dust grains. In the linear case, the modified dispersion relation is given and, in the nonlinear case, stationary solutions of the nonlinear equations that govern the dynamics of coupled SV and convective cell modes are obtained. It is found that electrostatic dipolar and vortex street type solutions can appear in such a plasma. The relevance of the present investigation with regard to the Earth's mesosphere as well as in ionospheric plasmas is also pointed out.

  1. Reactive Energetic Plasticizers Utilizing Cu-Free Azide-Alkyne 1,3-Dipolar Cycloaddition for In-Situ Preparation of Poly(THF-co-GAP-Based Polyurethane Energetic Binders

    Directory of Open Access Journals (Sweden)

    Mingyang Ma

    2018-05-01

    Full Text Available Reactive energetic plasticizers (REPs coupled with hydroxy-telechelic poly(glycidyl azide-co-tetrahydrofuran (PGT-based energetic polyurethane (PU binders for use in solid propellants and plastic-bonded explosives (PBXs were investigated. The generation of gem-dinitro REPs along with a terminal alkyne stemmed from a series of finely designed approaches to not only satisfy common demands as conventional energetic plasticizers, but also to prevent the migration of plasticizers. The miscibility and rheological behavior of a binary mixture of PGT/REP with various REP fractions were quantitatively determined by differential scanning calorimetry (DSC and rheometer, respectively, highlighting the promising performance of REPs in the formulation process. The kinetics on the distinct reactivity of propargyl vs. 3-butynyl species of REPs towards the azide group of the PGT prepolymer in terms of Cu-free azide-alkyne 1,3-dipolar cycloaddition (1,3-DPCA was studied by monitoring 1H nuclear magnetic resonance spectroscopy and analyzing the activation energies (Ea obtained using DSC. The thermal stability of the finally cured energetic binders with the incorporation of REPs indicated that the thermal stability of the REP/PGT-based PUs was maintained independently of the REP content. The tensile strength and modulus of the PUs increased with an increase in the REP content. In addition, the energetic performance and sensitivity of REP and REP triazole species was predicted.

  2. Synthesis of Functionalized Pyrazoles via 1,3-Dipolar Cycloaddition of α-Diazo-β-ketophosphonates, Sufones and Esters with Electron-Deficient Alkenes.

    Science.gov (United States)

    Baiju, T V; Namboothiri, Irishi N N

    2017-10-01

    1,3-Dipolar cycloaddition of diazo compounds with olefinic substrates is a promising atom-economic strategy for the construction of functionalized pyrazoles. Over the last few years, our group has been engaged in the synthesis of phosphonyl/sulfonylpyrazoles and pyrazole esters by employing Bestmann-Ohira Reagent (BOR) and its sulfur and ester analogs as 1,3-dipole precursors with various dipolarophiles. This account describes the novel synthetic methods developed in our laboratory, in the perspective of closely related work by others, for the synthesis of phosphonyl/sulfonylpyrazoles, pyrazole esters and the total synthesis of Withasomnine, a natural product, by using 1,3-dipolar cycloaddition as the key step. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Synthesis of novel isatin-type 5'-(4-Alkyl/Aryl-1H-1,2,3-triazoles) via 1,3-dipolar cycloaddition reactions

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Bianca N. M.; Silva, Barbara V.; Pinto, Angelo C., E-mail: biancanascimento@iq.ufrj.br [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Instituto de Quimica; Silva, Fernando C.; Gonzaga, Daniel T. G.; Ferreira, Vitor F. [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Instituto de Quimica

    2013-02-15

    Isatin and 1H-1,2,3-triazoles are two classes of compounds with great prominence in organic synthesis and medicinal chemistry as they are heterocycle nuclei with a high reactivity allowing to obtain several compounds with important biological properties. Herein, the synthesis of novel 5'-(4-alquil/aril-1H-1,2,3-triazole)-isatin via reaction of 1,3-dipolar cycloaddition catalyzed by acetic acid is reported. (author)

  4. Phase locking of vortex cores in two coupled magnetic nanopillars

    Directory of Open Access Journals (Sweden)

    Qiyuan Zhu

    2014-11-01

    Full Text Available Phase locking dynamics of the coupled vortex cores in two identical magnetic spin valves induced by spin-polarized current are studied by means of micromagnetic simulations. Our results show that the available current range of phase locking can be expanded significantly by the use of constrained polarizer, and the vortices undergo large orbit motions outside the polarization areas. The effects of polarization areas and dipolar interaction on the phase locking dynamics are studied systematically. Phase locking parameters extracted from simulations are discussed by theoreticians. The dynamics of vortices influenced by spin valve geometry and vortex chirality are discussed at last. This work provides deeper insights into the dynamics of phase locking and the results are important for the design of spin-torque nano-oscillators.

  5. Large short-term deviations from dipolar field during the Levantine Iron Age Geomagnetic Anomaly ca. 1050-700 BCE

    Science.gov (United States)

    Shaar, R.; Tauxe, L.; Ebert, Y.

    2017-12-01

    Continuous decadal-resolution paleomagnetic data from archaeological and sedimentary sources in the Levant revealed the existence a local high-field anomaly, which spanned the first 350 years of the first millennium BCE. This so-called "the Levantine Iron Age geomagnetic Anomaly" (LIAA) was characterized by a high averaged geomagnetic field (virtual axial dipole moments, VADM > 140 Z Am2, nearly twice of today's field), short decadal-scale geomagnetic spikes (VADM of 160-185 Z Am2), fast directional and intensity variations, and substantial deviation (20°-25°) from dipole field direction. Similar high field values in the time frame of LIAA have been observed north, and northeast to the Levant: Eastern Anatolia, Turkmenistan, and Georgia. West of the Levant, in the Balkans, field values in the same time are moderate to low. The overall data suggest that the LIAA is a manifestation of a local positive geomagnetic field anomaly similar in magnitude and scale to the presently active negative South Atlantic Anomaly. In this presentation we review the overall archaeomagnetic and sedimentary evidences supporting the local anomaly hypothesis, and compare these observations with today's IGRF field. We analyze the global data during the first two millennia BCE, which suggest some unexpected large deviations from a simple dipolar geomagnetic structure.

  6. Dipolar Spin Ice States with a Fast Monopole Hopping Rate in CdEr2X4 (X =Se , S)

    Science.gov (United States)

    Gao, Shang; Zaharko, O.; Tsurkan, V.; Prodan, L.; Riordan, E.; Lago, J.; Fâk, B.; Wildes, A. R.; Koza, M. M.; Ritter, C.; Fouquet, P.; Keller, L.; Canévet, E.; Medarde, M.; Blomgren, J.; Johansson, C.; Giblin, S. R.; Vrtnik, S.; Luzar, J.; Loidl, A.; Rüegg, Ch.; Fennell, T.

    2018-03-01

    Excitations in a spin ice behave as magnetic monopoles, and their population and mobility control the dynamics of a spin ice at low temperature. CdEr2 Se4 is reported to have the Pauling entropy characteristic of a spin ice, but its dynamics are three orders of magnitude faster than the canonical spin ice Dy2 Ti2 O7 . In this Letter we use diffuse neutron scattering to show that both CdEr2 Se4 and CdEr2 S4 support a dipolar spin ice state—the host phase for a Coulomb gas of emergent magnetic monopoles. These Coulomb gases have similar parameters to those in Dy2 Ti2 O7 , i.e., dilute and uncorrelated, and so cannot provide three orders faster dynamics through a larger monopole population alone. We investigate the monopole dynamics using ac susceptometry and neutron spin echo spectroscopy, and verify the crystal electric field Hamiltonian of the Er3 + ions using inelastic neutron scattering. A quantitative calculation of the monopole hopping rate using our Coulomb gas and crystal electric field parameters shows that the fast dynamics in CdEr2X4 (X =Se , S) are primarily due to much faster monopole hopping. Our work suggests that CdEr2X4 offer the possibility to study alternative spin ice ground states and dynamics, with equilibration possible at much lower temperatures than the rare earth pyrochlore examples.

  7. Measurement of the rapidity-even dipolar flow in Pb-Pb collisions with the ATLAS detector

    CERN Document Server

    Jia, Jiangyong

    2012-01-01

    The rapidity-even dipolar flow $v_1$ associated with dipole asymmetry of in the initial geometry is measured over broad ranges in $p_T$ ($0.5-9$ GeV) and centrality (0-50%) in Pb-Pb collisions at $\\sqrt{s_{_{\\mathrm{NN}}}}=2.76$ TeV, recorded by the ATLAS experiment at the LHC. The $v_1$ coefficient is obtained via a two-component fit of the first order Fourier coefficient $v_{1,1}=\\langle\\cos \\Delta\\phi \\rangle$ of two particle correlation in relative azimuthal angle $\\Delta\\phi=\\phi_{\\mathrm{a}}-\\phi_{\\mathrm{b}}$ as a function of $p_T^{\\mathrm a}$ and $p_T^{\\mathrm b}$. This fit is motivated by the finding that the $p_T$ dependence of the $v_{1,1}(p_T^{\\mathrm a},p_T^{\\mathrm b})$ data are consistent with the combined contributions from a rapidity-even $v_1$ and global momentum conservation. The extracted $v_1$ is observed to cross zero at $p_T\\approx1.0$ GeV, reaches a maximum at 4--5 GeV with a value comparable to that for $v_3$, and decreases at higher $p_T$. Interestingly, the magnitude of $v_1$ at hig...

  8. The Effect of Combined Magnetic Geometries on Thermally Driven Winds. I. Interaction of Dipolar and Quadrupolar Fields

    Energy Technology Data Exchange (ETDEWEB)

    Finley, Adam J.; Matt, Sean P., E-mail: af472@exeter.ac.uk [University of Exeter (UK), Department of Physics and Astronomy, Stoker Road, Devon, Exeter, EX4 4QL (United Kingdom)

    2017-08-10

    Cool stars with outer convective envelopes are observed to have magnetic fields with a variety of geometries, which on large scales are dominated by a combination of the lowest-order fields such as the dipole, quadrupole, and octupole modes. Magnetized stellar wind outflows are primarily responsible for the loss of angular momentum from these objects during the main sequence. Previous works have shown the reduced effectiveness of the stellar wind braking mechanism with increasingly complex but singular magnetic field geometries. In this paper, we quantify the impact of mixed dipolar and quadrupolar fields on the spin-down torque using 50 MHD simulations with mixed fields, along with 10 each of the pure geometries. The simulated winds include a wide range of magnetic field strength and reside in the slow-rotator regime. We find that the stellar wind braking torque from our combined geometry cases is well described by a broken power-law behavior, where the torque scaling with field strength can be predicted by the dipole component alone or the quadrupolar scaling utilizing the total field strength. The simulation results can be scaled and apply to all main-sequence cool stars. For solar parameters, the lowest-order component of the field (dipole in this paper) is the most significant in determining the angular momentum loss.

  9. Measurements of relative chemical shift tensor orientations in solid-state NMR: new slow magic angle spinning dipolar recoupling experiments.

    Science.gov (United States)

    Jurd, Andrew P S; Titman, Jeremy J

    2009-08-28

    Solid-state NMR experiments can be used to determine conformational parameters, such as interatomic distances and torsion angles. The latter can be obtained from measurements of the relative orientation of two chemical shift tensors, if the orientation of these with respect to the surrounding bonds is known. In this paper, a new rotor-synchronized magic angle spinning (MAS) dipolar correlation experiment is described which can be used in this way. Because the experiment requires slow MAS rates, a novel recoupling sequence, designed using symmetry principles, is incorporated into the mixing period. This recoupling sequence is based in turn on a new composite cyclic pulse referred to as COAST (for combined offset and anisotropy stabilization). The new COAST-C7(2)(1) sequence is shown to give good theoretical and experimental recoupling efficiency, even when the CSA far exceeds the MAS rate. In this regime, previous recoupling sequences, such as POST-C7(2)(1), exhibit poor recoupling performance. The effectiveness of the new method has been explored by a study of the dipeptide L-phenylalanyl-L-phenylalanine.

  10. Communication: Proton NMR dipolar-correlation effect as a method for investigating segmental diffusion in polymer melts

    International Nuclear Information System (INIS)

    Lozovoi, A.; Mattea, C.; Stapf, S.; Herrmann, A.; Rössler, E. A.; Fatkullin, N.

    2016-01-01

    A simple and fast method for the investigation of segmental diffusion in high molar mass polymer melts is presented. The method is based on a special function, called proton dipolar-correlation build-up function, which is constructed from Hahn Echo signals measured at times t and t/2. The initial rise of this function contains additive contributions from both inter- and intramolecular magnetic dipole-dipole interactions. The intermolecular contribution depends on the relative mean squared displacements (MSDs) of polymer segments from different macromolecules, while the intramolecular part reflects segmental reorientations. Separation of both contributions via isotope dilution provides access to segmental displacements in polymer melts at millisecond range, which is hardly accessible by other methods. The feasibility of the method is illustrated by investigating protonated and deuterated polybutadiene melts with molecular mass 196 000 g/mol at different temperatures. The observed exponent of the power law of the segmental MSD is close to 0.32 ± 0.03 at times when the root MSD is in between 45 Å and 75 Å, and the intermolecular proton dipole-dipole contribution to the total proton Hahn Echo NMR signal is larger than 50% and increases with time.

  11. Photoinduced Bioorthogonal 1,3-Dipolar Poly-cycloaddition Promoted by Oxyanionic Substrates for Spatiotemporal Operation of Molecular Glues.

    Science.gov (United States)

    Hatano, Junichi; Okuro, Kou; Aida, Takuzo

    2016-01-04

    PGlue(PZ), a pyrazoline (PZ)-based fluorescent adhesive which can be generated spatiotemporally in living systems, was developed. Since PGlue(PZ) carries many guanidinium ion (Gu(+)) pendants, it strongly adheres to various oxyanionic substrates through a multivalent salt-bridge interaction. PGlue(PZ) is given by bioorthogonal photopolymerization of a Gu(+)-appended monomer (Glue(TZ)), bearing tetrazole (TZ) and olefinic termini. Upon exposure to UV light, Glue(TZ) transforms into a nitrileimine (NI) intermediate (Glue(NI)), which is eligible for 1,3-dipolar polycycloaddition. However, Glue(NI) in aqueous media can concomitantly be deactivated into Glue(WA) by the addition of water, and the polymerization hardly occurs unless Glue(NI) is concentrated. We found that, even under high dilution, Glue(NI) is concentrated on oxyanionic substrates to a sufficient level for the polymerization, so that their surfaces can be point-specifically functionalized with PGlue(PZ) by the use of a focused beam of UV light. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Complexes of dipolar excitons in layered quasi-two-dimensional nanostructures

    Science.gov (United States)

    Bondarev, Igor V.; Vladimirova, Maria R.

    2018-04-01

    We discuss neutral and charged complexes (biexcitons and trions) formed by indirect excitons in layered quasi-two-dimensional semiconductor heterostructures. Indirect excitons—long-lived neutral Coulomb-bound pairs of electrons and holes of different layers—have been known for semiconductor coupled quantum wells and have recently been reported for van der Waals heterostructures such as double bilayer graphene and transition-metal dichalcogenides. Using the configuration space approach, we derive the analytical expressions for the trion and biexciton binding energies as a function of interlayer distance. The method captures essential kinematics of complex formation to reveal significant binding energies, up to a few tens of meV for typical interlayer distances ˜3 -5 Å , with the trion binding energy always being greater than that of the biexciton. Our results can contribute to the understanding of more complex many-body phenomena such as exciton Bose-Einstein condensation and Wigner-like electron-hole crystallization in layered semiconductor heterostructures.

  13. Beyond dipolar regime in high-order plasmon mode bowtie antennas

    Science.gov (United States)

    Cuche, Aurélien; Viarbitskaya, Sviatlana; Kumar, Upkar; Sharma, Jadab; Arbouet, Arnaud; Girard, Christian; Dujardin, Erik

    2017-03-01

    Optical nanoantennas have shown their great potential for far-field to near-field coupling and for light confinement in subwavelength volumes. Here, we report on a multimodal configuration for bright and polarization-dependent bowtie antenna based on large and highly crystalline gold prisms. Each individual prism constituting an antenna arm sustains high order plasmon modes in the visible and near infrared range that allow for high field confinement and two-dimensional optical information propagation. We demonstrate by scanning two-photon luminescence (TPL) microscopy and numerical simulations based on the Green dyadic method that these bowtie antennas result in intense hot spots in different antenna locations as a function of the incident polarization. Finally, we quantify the local field enhancement above the antennas by computing the normalized total decay rate of a molecular system placed in the near field of the antenna gap as a function of the dipole orientation. We demonstrate the existence of a subtle relation between antenna geometry, polarization dependence and field enhancement. These new multimodal optical antennas are excellent far field to near field converter and they open the door for new strategies in the design of coplanar optical components for a wide range of applications including sensing, energy conversion or integrated information processing.

  14. Contribution of Dipolar Coupling to the Mechanism of the Triplet-Triplet Energy Transfer Process at Long Distances: A Doluble Resonance and Laser Line Narrowing Study.

    Science.gov (United States)

    1986-12-16

    COVERED 14. DATE OF REPORT (Year, Month, Day) 15. PAGE COUNT Technical Report FROM TO December 16, 1986 29 16 SUPPLEMENTARY NOTATION Acta Physica ... Polonica , in press. 17. COSATI CODES 18. SUBJECT TERMS (Continue on reverse if inecessary and identify by block number) FIELD GROUP SUB-GROUP Energy Transfer...Chan-Lon Yang and M. A. EI-Sayed Department of Chemistry and Biochemistry University of California Los Angeles, California 90024 Acts Physics Polonica

  15. Dark coupling

    International Nuclear Information System (INIS)

    Gavela, M.B.; Hernández, D.; Honorez, L. Lopez; Mena, O.; Rigolin, S.

    2009-01-01

    The two dark sectors of the universe—dark matter and dark energy—may interact with each other. Background and linear density perturbation evolution equations are developed for a generic coupling. We then establish the general conditions necessary to obtain models free from non-adiabatic instabilities. As an application, we consider a viable universe in which the interaction strength is proportional to the dark energy density. The scenario does not exhibit ''phantom crossing'' and is free from instabilities, including early ones. A sizeable interaction strength is compatible with combined WMAP, HST, SN, LSS and H(z) data. Neutrino mass and/or cosmic curvature are allowed to be larger than in non-interacting models. Our analysis sheds light as well on unstable scenarios previously proposed

  16. Spin wave eigenmodes in single and coupled sub-150 nm rectangular permalloy dots

    Energy Technology Data Exchange (ETDEWEB)

    Carlotti, G., E-mail: giovanni.carlotti@fisica.unipg.it; Madami, M. [Dipartimento di Fisica e Geologia, Università di Perugia, Perugia (Italy); Tacchi, S. [Istituto Officina dei Materiali del CNR (CNR-IOM), Dipartimento di Fisica e Geologia, Perugia (Italy); Gubbiotti, G.; Dey, H.; Csaba, G.; Porod, W. [Center for Nano Science and Technology, Department of Electrical Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States)

    2015-05-07

    We present the results of a Brillouin light scattering investigation of thermally excited spin wave eigenmodes in square arrays of either isolated rectangular dots of permalloy or twins of dipolarly coupled elements, placed side-by-side or head-to-tail. The nanodots, fabricated by e-beam lithography and lift-off, are 20 nm thick and have the major size D in the range between 90 nm and 150 nm. The experimental spectra show the presence of two main peaks, corresponding to modes localized either at the edges or in the center of the dots. Their frequency dependence on the dot size and on the interaction with adjacent elements has been measured and successfully interpreted on the basis of dynamical micromagnetic simulations. The latter enabled us also to describe the spatial profile of the eigenmodes, putting in evidence the effects induced by the dipolar interaction between coupled dots. In particular, in twinned dots the demagnetizing field is appreciably modified in proximity of the “internal edges” if compared to the “external” ones, leading to a splitting of the edge mode. These results can be relevant for the exploitation of sub-150 nm magnetic dots in new applications, such as magnonic metamaterials, bit-patterned storage media, and nano-magnetic logic devices.

  17. Synchronization of vortex-based spin torque nano-oscillators by magnetostatic coupling

    Energy Technology Data Exchange (ETDEWEB)

    Zaspel, C.E., E-mail: craig.zaspel@umwestern.edu

    2015-12-15

    Synchronization of two nanopillar oscillators driven by spin torque and coupled through the magnetic dipolar interaction. The dominant mode in each oscillator is gyrotropic motion of the vortex core in an elliptical orbit about the free layer disk center. The dynamic properties of this mode is investigated by solution the coupled Thiele equations with both nanopillar oscillators having identical dimensions, but with a current mismatch. It is noticed that there is a range in the current difference where the oscillators will be synchronized where the vortex gyrotropic motion will be frequency-locked with the radii of gyrotropic motion equal for both disks. There is, however, a phase shift between the gyrotropic motion with the smaller current disk lagging the higher current disk by a few degrees. - Highlights: • Vortex-based nanopillar oscillators re synchronized by the dipolar interaction. • There is a range of frequencies where both oscillators will frequency-locked. • There are upper and lower critical currents defining a locking range.

  18. Dipolar Excitation of a Perfectly Electrically Conducting Spheroid in a Lossless Medium at the Low-Frequency Regime

    Directory of Open Access Journals (Sweden)

    Panayiotis Vafeas

    2018-01-01

    Full Text Available The electromagnetic vector fields, which are scattered off a highly conductive spheroid that is embedded within an otherwise lossless medium, are investigated in this contribution. A time-harmonic magnetic dipolar source, located nearby and operating at low frequencies, serves as the excitation primary field, being arbitrarily orientated in the three-dimensional space. The main idea is to obtain an analytical solution of this scattering problem, using the appropriate system of spheroidal coordinates, such that a possibly fast numerical estimation of the scattered fields could be useful for real data inversion. To this end, incident and scattered as well as total fields are written in a rigorous low-frequency manner in terms of positive integral powers of the real-valued wave number of the exterior environment. Then, the Maxwell-type problem is converted to interconnected Laplace’s or Poisson’s equations, complemented by the perfectly conducting boundary conditions on the spheroidal object and the necessary radiation behavior at infinity. The static approximation and the three first dynamic contributors are sufficient for the present study, while terms of higher orders are neglected at the low-frequency regime. Henceforth, the 3D scattering boundary value problems are solved incrementally, whereas the determination of the unknown constant coefficients leads either to concrete expressions or to infinite linear algebraic systems, which can be readily solved by implementing standard cut-off techniques. The nonaxisymmetric scattered magnetic and electric fields follow and they are obtained in an analytical compact fashion via infinite series expansions in spheroidal eigenfunctions. In order to demonstrate the efficiency of our analytical approach, the results are degenerated so as to recover the spherical case, which validates this approach.

  19. MMS observations of magnetic reconnection signatures of dissipating ion inertial-scale flux ropes associated with dipolarization events

    Science.gov (United States)

    Poh, G.; Slavin, J. A.; Lu, S.; Le, G.; Cassak, P.; Eastwood, J. P.; Ozturk, D. S.; Zou, S.; Nakamura, R.; Baumjohann, W.; Russell, C. T.; Gershman, D. J.; Giles, B. L.; Pollock, C.; Moore, T. E.; Torbert, R. B.; Burch, J. L.

    2017-12-01

    The formation of flux ropes is thought to be an integral part of the process that may have important consequences for the onset and subsequent rate of reconnection in the tail. Earthward flows, i.e. bursty bulk flows (BBFs), generate dipolarization fronts (DFs) as they interact with the closed magnetic flux in their path. Global hybrid simulations and THEMIS observations have shown that earthward-moving flux ropes can undergo magnetic reconnection with the near-Earth dipole field in the downtail region between the Near Earth Neutral Line and the near-Earth dipole field to create DFs-like signatures. In this study, we analyzed sequential "chains" of earthward-moving, ion-scale flux ropes embedded within DFs observed during MMS first tail season. MMS high-resolution plasma measurements indicate that these earthward flux ropes embedded in DFs have a mean bulk flow velocity and diameter of 250 km/s and 1000 km ( 2‒3 ion inertial length λi), respectively. Magnetic reconnection signatures preceding the flux rope/DF encounter were also observed. As the southward-pointing magnetic field in the leading edge of the flux rope reconnects with the northward-pointing geomagnetic field, the characteristic quadrupolar Hall magnetic field in the ion diffusion region and electron outflow jets in the north-south direction are observed. Our results strongly suggest that the earthward moving flux ropes brake and gradually dissipate due to magnetic reconnection with the near Earth magnetic field. We have also examined the occurrence rate of these dissipating flux ropes/DF events as a function of downtail distances.

  20. Empirical parameters for solvent acidity, basicity, dipolarity, and polarizability of the ionic liquids [BMIM][BF4] and [BMIM][PF6].

    Science.gov (United States)

    del Valle, J C; García Blanco, F; Catalán, J

    2015-04-02

    The empirical solvent scales for polarizability (SP), dipolarity (SdP), acidity (SA), and basicity (SB) have been successfully used to interpret the solvatochromism of compounds dissolved in organic solvents and their solvent mixtures. Providing that the published solvatochromic parameters for the ionic liquids 1-(1-butyl)-3-methylimidazolium tetrafluoroborate, [BMIM][BF4] and 1-(1-butyl)-3-methylimidazolium hexafluorophosphate, [BMIM][PF6], are excessively widespread, their SP, SdP, SA, and SB values are measured herein at temperatures from 293 to 353 K. Four key points are emphasized herein: (i) the origin of the solvatochromic solvent scales--the gas phase, that is the absence of any medium perturbation--; (ii) the separation of the polarizability and dipolarity effects; (iii) the simplification of the probing process in order to obtain the solvatochromic parameters; and (iv) the SP, SdP, SA, and SB solvent scales can probe the polarizability, dipolarity, acidity, and basicity of ionic liquids as well as of organic solvents and water-organic solvent mixtures. From the multiparameter approach using the four pure solvent scales one can draw the conclusion that (a) the solvent influence of [BMIM][BF4] parallels that of formamide at 293 K, both of them miscible with water; (b) [BMIM][PF6] shows a set of solvatochromic parameters similar to that of chloroacetonitrile, both of them water insoluble; and (c) that the corresponding solvent acidity and basicity of the ionic liquids can be explained to a great extent from the cation species by comparing the empirical parameters of [BMIM](+) with those of the solvent 1-methylimidazole. The insolubility of [BMIM][PF6] in water as compared to [BMIM][BF4] is tentatively connected to some extent to the larger molar volume of the anion [PF6](-), and to the difference in basicity of [PF6](-) and [BF4](-).

  1. Evidence of magnetic dipolar interaction in micrometric powders of the Fe{sub 50}Mn{sub 10}Al{sub 40} system: Melted alloys

    Energy Technology Data Exchange (ETDEWEB)

    Perez Alcazar, G.A., E-mail: gpgeperez@gmail.com [Departamento de Fisica, Universidad del Valle, A. A. 25360, Cali (Colombia); Unidad Asociada ICMM-IMA, Apdo. 155, 28230 Las Rozas, Madrid (Spain); Zamora, L.E. [Departamento de Fisica, Universidad del Valle, A. A. 25360, Cali (Colombia); Unidad Asociada ICMM-IMA, Apdo. 155, 28230 Las Rozas, Madrid (Spain); Tabares, J.A.; Piamba, J.F. [Departamento de Fisica, Universidad del Valle, A. A. 25360, Cali (Colombia); Gonzalez, J.M. [Unidad Asociada ICMM-IMA, Apdo. 155, 28230 Las Rozas, Madrid (Spain); Greneche, J.M. [LUNAM, Universite du Maine, Institut des Molecules et Materiaux du Mans, UMR CNRS 6283, 72085 Le Mans Cedex 9 (France); Martinez, A. [Instituto de Magnetismo Aplicado, P.O. Box 155, 28230 Las Rozas (Spain); Romero, J.J. [Instituto de Ceramica y Vidrio, CSIC, C/Kelsen 5, 28049, Madrid (Spain); Marco, J.F. [Instituto de Quimica Fisica Rocasolano, CSIC, C/Serrano 119, 28006 Madrid (Spain)

    2013-02-15

    Powders of melted disordered Fe{sub 50}Mn{sub 10}Al{sub 40} alloy were separated at different mean particle sizes as well as magnetically and structurally characterized. All the samples are BCC and show the same nanostructure. Particles larger than 250 {mu}m showed a lamellar shape compared to smaller particles, which exhibited a more regular form. All the samples are ferromagnetic at room temperature and showed reentrant spin-glass (RSG) and superparamagnetic (SP)-like behaviors between 30 and 60 K and 265 and > 280 K, respectively, as a function of frequency and particle size. The freezing temperature increases with increasing particle size while the blocking one decreases with particle size. The origin of these magnetic phenomena relies in the internal disordered character of samples and the competitive interaction of Fe and Mn atoms. The increase of their critical freezing temperature with increasing mean particle size is due to the increase of the magnetic dipolar interaction between the magnetic moment of each particle with the field produced by the other magnetic moments of their surrounding particles. - Highlights: Black-Right-Pointing-Pointer The effect of particle size in microsized powders of Fe{sub 50}Mn{sub 10}Al{sub 40} melted disordered alloy is studied. Black-Right-Pointing-Pointer Dipolar magnetic interaction between particles exists and this changes with the particle size. Black-Right-Pointing-Pointer For all the particle sizes the reentrant spin- glass and the superparamagnetic-like phases exist. Black-Right-Pointing-Pointer RSG and SP critical temperatures increase with increasing the dipolar magnetic interaction (the mean particle size).

  2. Novel Synthesis of 1,2,3-Triazoles via 1,3-Dipolar Cycloadditions of Alkynes to Azides in Ionic Liquid

    Institute of Scientific and Technical Information of China (English)

    ZHONG,Ping(钟平); GUO,Sheng-Rong(郭圣荣)

    2004-01-01

    2-Azido-3,5-dichloropyridine and 2-azido-5-chloro-3-fluoropyridine were given by reaction of sodium azide with 2,3,5-trichloropyridine, 3,5-dichloro-2-fluoropyridine or 5-chloro-2,3-difiuoropyridine in ionic liquids.1,3-Dipolar cycloaddition of 2-azido-3,5-dichloropyridine or 2-azido-5-chloro-3-fluoropyridine to alkynes in ionic liquids afforded the corresponding 1,4,5-trisubstituted [1,2,3]-triazoles in good yields and regioselectivities.

  3. KF/Al2O3 as a Recyclable Basic Catalyst for 1,3-Dipolar Cycloaddition Reaction: Synthesis of Indolizine-1-Carbonitrile Derivatives

    Directory of Open Access Journals (Sweden)

    Abaszadeh Mehdi

    2017-07-01

    Full Text Available KF/Al2O3 as a green and efficient catalyst has been used for synthesis of indolizine-1-carbonitrile derivatives. It can be proceeded by using 1,3-dipolar cycloaddition reaction of 1-alkyl-2-chloropyridinium bromides, malononitrile and benzaldehyde in ethanol, at reflux. The great advantage of this catalyst is the ease of handling. KF/Al2O3 can be used and removed by filtration, avoiding cumbersome aqueous workups and decreasing solvent waste handling issues. High conversions, short reaction times and a cleaner reaction profiles are some of the outstanding advantages of this method.

  4. Correction of vertical dispersion and betatron coupling for the CLIC damping ring

    CERN Document Server

    Korostelev, M S

    2006-01-01

    The sensitivity of the CLIC damping ring to various kinds of alignment errors has been studied. Without any correction, fairly small vertical misalignments of the quadrupoles and, in particular, the sextupoles, introduce unacceptable distortions of the closed orbit as well as intolerable spurious vertical dispersion and coupling due to the strong focusing optics of the damping ring. A sophisticated beam-based correction scheme has been developed to bring the design target emittances and the dynamic aperture back to the ideal value. The correction using dipolar correctors and several skew quadrupole correctors allows a minimization of the closed-orbit distortion, the cross-talk between vertical and horizontal closed orbits, the residual vertical dispersion and the betatron coupling.

  5. Dipolar dark matter

    International Nuclear Information System (INIS)

    Masso, Eduard; Mohanty, Subhendra; Rao, Soumya

    2009-01-01

    If dark matter (DM) has nonzero direct or transition, electric or magnetic dipole moment then it can scatter nucleons electromagnetically in direct detection experiments. Using the results from experiments like XENON, CDMS, DAMA, and COGENT, we put bounds on the electric and magnetic dipole moments of DM. If DM consists of Dirac fermions with direct dipole moments, then DM of mass less than 10 GeV is consistent with the DAMA signal and with null results of other experiments. If on the other hand DM consists of Majorana fermions then they can have only nonzero transition moments between different mass eigenstates. We find that Majorana fermions with masses 38 χ < or approx. 100-200 GeV and mass splitting of the order of (150-200) keV can explain the DAMA signal and the null observations from other experiments and in addition give the observed relic density of DM by dipole-mediated annihilation. The absence of the heavier DM state in the present Universe can be explained by dipole-mediated radiative decay. This parameter space for the mass and for dipole moments is allowed by limits from L3 but may have observable signals at LHC.

  6. Path coupling and aggregate path coupling

    CERN Document Server

    Kovchegov, Yevgeniy

    2018-01-01

    This book describes and characterizes an extension to the classical path coupling method applied to statistical mechanical models, referred to as aggregate path coupling. In conjunction with large deviations estimates, the aggregate path coupling method is used to prove rapid mixing of Glauber dynamics for a large class of statistical mechanical models, including models that exhibit discontinuous phase transitions which have traditionally been more difficult to analyze rigorously. The book shows how the parameter regions for rapid mixing for several classes of statistical mechanical models are derived using the aggregate path coupling method.

  7. Models for calculation of dissociation energies of homonuclear diatomic molecules

    International Nuclear Information System (INIS)

    Brewer, L.; Winn, J.S.

    1979-08-01

    The variation of known dissociation energies of the transition metal diatomics across the Periodic Table is rather irregular like the bulk sublimation enthalpy, suggesting that the valence-bond model for bulk metallic systems might be applicable to the gaseous diatomic molecules and the various intermediate clusters. Available dissociation energies were converted to valence-state bonding energies considering various degrees of promotion to optimize the bonding. The degree of promotion of electrons to increase the number of bonding electrons is smaller than for the bulk, but the trends in bonding energy parallel the behavior found for the bulk metals. Thus using the established trends in bonding energies for the bulk elements, it was possible to calculate all unknown dissociation energies to provide a complete table of dissociation energies for all M 2 molecules from H 2 to Lr 2 . For solids such as Mg, Al, Si and most of the transition metals, large promotion energies are offset by strong bonding between the valence state atoms. The main question is whether bonding in the diatomics is adequate to sustain extensive promotion. The most extreme example for which a considerable difference would be expected between the bulk and the diatomics would be that of the Group IIA and IIB metals. The first section of this paper which deals with the alkaline earths Mg and Ca demonstrates a significant influence of the excited valence state even for these elements. The next section then expands the treatment to transition metals

  8. 'Clicking' on the nanoscale: 1,3-dipolar cycloaddition of terminal acetylenes on azide functionalized, nanometric surface templates with nanometer resolution

    International Nuclear Information System (INIS)

    Haensch, Claudia; Hoeppener, Stephanie; Schubert, Ulrich S

    2009-01-01

    Electro-oxidative lithography is used as a tool to create chemical nanostructures on an n-octadecyltrichlorosilane (OTS) monolayer self-assembled on silicon. The use of a bromine precursor molecule, which is exclusively assembled on these chemical templates, can be used to further functionalize the nanostructures by the site-selective generation of azide functions and performing the highly effective 1,3-dipolar cycloaddition reaction with acetylene functionalized molecules. The versatility of this reaction scheme provides the potential to integrate a large variety of functional molecules, to tailor the surface properties of the nanostructures or to anchor molecular building blocks or particles in confined, pre-defined surface areas. The results demonstrated in the present study introduce a conceivable route towards the functionalization of chemically active surface templates with high fidelity and reliability. It is demonstrated that surface features with a lateral resolution of 50 nm functionalized with propargyl alcohol can be fabricated.

  9. Synthetic scope and DFT analysis of the chiral binap–gold(I complex-catalyzed 1,3-dipolar cycloaddition of azlactones with alkenes

    Directory of Open Access Journals (Sweden)

    María Martín-Rodríguez

    2013-11-01

    Full Text Available The 1,3-dipolar cycloaddition between glycine-derived azlactones with maleimides is efficiently catalyzed by the dimeric chiral complex [(Sa-Binap·AuTFA]2. The alanine-derived oxazolone only reacts with tert-butyl acrylate giving anomalous regiochemistry, which is explained and supported by Natural Resonance Theory and Nucleus Independent Chemical Shifts calculations. The origin of the high enantiodiscrimination observed with maleimides and tert-butyl acrylate is analyzed using DFT computed at M06/Lanl2dz//ONIOM(b3lyp/Lanl2dz:UFF level. Several applications of these cycloadducts in the synthesis of new proline derivatives with a 2,5-trans-arrangement and in the preparation of complex fused polycyclic molecules are described.

  10. Effects of impurity and Bose-Fermi interactions on the transition temperature of a dilute dipolar Bose-Einstein condensation in trapped Bose-Fermi mixtures

    Science.gov (United States)

    Yavari, H.; Mokhtari, M.

    2014-03-01

    The effects of impurity and Bose-Fermi interactions on the transition temperature of a dipolar Bose-Einstein condensation in trapped Bose-Fermi mixture, by using the two-fluid model, are investigated. The shift of the transition temperature consists of four contributions due to contact, Bose-Fermi, dipole-dipole, and impurity interactions. We will show that in the presence of an anisotropic trap, the Bose-Fermi correction to the shift of transition temperature due to the excitation spectra of the thermal part is independent of anisotropy factor. Applying our results to trapped Bose-Fermi mixtures shows that, by knowing the impurity effect, the shift of the transition temperature due to Bose-Fermi interaction could be measured for isotropic trap (dipole-dipole contributions is zero) and Feshbach resonance technique (contact potential contribution is negligible).

  11. On the reversal of the dipolar field of the sun and its possible implication for the reversal of the earth's field

    International Nuclear Information System (INIS)

    Saito, T.; Akasofu, S.

    1987-01-01

    Changes of the neutral line on the source surface (analogous to the magnetic dip equator of the earth) during the period between 1976 and 1983 are examined on the basis of the Stanford solar magnetic field data. Instead of the standard Mercator-like projection, the neutral line is shown on a spherical surface for 16 selected Carrington rotations. In spite of great complexity of the field variations, this presentation depicts clearly a fairly systematic rotational reversal of the dipolar field on the source surface during the sunspot maximum years. It is suggested that this solar situation is somewhat analogous to the planet earth in the sense that the core surface and the earth's surface may correspond to the photosphere and the source surface, respectively. Copyright American Geophysical Union 1987

  12. Coupled Dzyaloshinskii walls and their current-induced dynamics by the spin Hall effect

    Energy Technology Data Exchange (ETDEWEB)

    Martínez, Eduardo, E-mail: edumartinez@usal.es [Dpto. de Fisica Aplicada, Universidad de Salamanca, Plaza de los Caídos s/n, E-37008 Salamanca (Spain); Alejos, Óscar [Dpto. de Electricidad y Electrónica, Universidad de Valladolid, Paseo de Belén, 7, E-47011 Valladolid (Spain)

    2014-07-14

    The nucleation of domain walls in ultrathin ferromagnetic/heavy-metal bilayers is studied by means of micromagnetic simulations. In the presence of interfacial Dzyaloshinskii-Moriya interaction, the nucleated walls naturally adopt a homochiral configuration with internal magnetization pointing antiparallely. The interaction between these walls was analyzed and described in terms of a classical dipolar force between the magnetic moments of the walls, which couples their dynamics. Additionally, the current-induced motion of two homochiral walls in the presence of longitudinal fields was also studied by means of a simple one-dimensional model and micromagnetic modeling, considering both one free-defect strip and another one with random edge roughness. It is evidenced that in the presence of pinning due to edge roughness, the in-plane longitudinal field introduces an asymmetry in the current-induced depinning, in agreement with recent experimental results.

  13. Coupled Dzyaloshinskii walls and their current-induced dynamics by the spin Hall effect

    International Nuclear Information System (INIS)

    Martínez, Eduardo; Alejos, Óscar

    2014-01-01

    The nucleation of domain walls in ultrathin ferromagnetic/heavy-metal bilayers is studied by means of micromagnetic simulations. In the presence of interfacial Dzyaloshinskii-Moriya interaction, the nucleated walls naturally adopt a homochiral configuration with internal magnetization pointing antiparallely. The interaction between these walls was analyzed and described in terms of a classical dipolar force between the magnetic moments of the walls, which couples their dynamics. Additionally, the current-induced motion of two homochiral walls in the presence of longitudinal fields was also studied by means of a simple one-dimensional model and micromagnetic modeling, considering both one free-defect strip and another one with random edge roughness. It is evidenced that in the presence of pinning due to edge roughness, the in-plane longitudinal field introduces an asymmetry in the current-induced depinning, in agreement with recent experimental results.

  14. The influence of magnetostatic interactions in exchange-coupled composite particles

    DEFF Research Database (Denmark)

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

    2010-01-01

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

  15. Methods for sequential resonance assignment in solid, uniformly 13C, 15N labelled peptides: Quantification and application to antamanide

    International Nuclear Information System (INIS)

    Detken, Andreas; Hardy, Edme H.; Ernst, Matthias; Kainosho, Masatsune; Kawakami, Toru; Aimoto, Saburo; Meier, Beat H.

    2001-01-01

    The application of adiabatic polarization-transfer experiments to resonance assignment in solid, uniformly 13 C- 15 N-labelled polypeptides is demonstrated for the cyclic decapeptide antamanide. A homonuclear correlation experiment employing the DREAM sequence for adiabatic dipolar transfer yields a complete assignment of the C α and aliphatic side-chain 13 C resonances to amino acid types. The same information can be obtained from a TOBSY experiment using the recently introduced P9 1 12 TOBSY sequence, which employs the J couplings as a transfer mechanism. A comparison of the two methods is presented. Except for some aromatic phenylalanine resonances, a complete sequence-specific assignment of the 13 C and 15 N resonances in antamanide is achieved by a series of selective or broadband adiabatic triple-resonance experiments. Heteronuclear transfer by adiabatic-passage Hartmann-Hahn cross polarization is combined with adiabatic homonuclear transfer by the DREAM and rotational-resonance tickling sequences into two- and three-dimensional experiments. The performance of these experiments is evaluated quantitatively

  16. Electromagnetic clutches and couplings

    CERN Document Server

    Vorob'Yeva, T M; Fry, D W; Higinbotham, W

    2013-01-01

    Electromagnetic Clutches and Couplings contains a detailed description of U.S.S.R. electromagnetic friction clutches, magnetic couplings, and magnetic particle couplings. This book is divided into four chapters. The first chapter discusses the design and construction of magnetic (solenoid-operated) couplings, which are very quick-acting devices and used in low power high-speed servo-systems. Chapter 2 describes the possible fields of application, design, construction, and utilization of magnetic particle couplings. The aspects of construction, design, and utilization of induction clutches (sli

  17. Magnetic coupling mechanisms in particle/thin film composite systems

    Directory of Open Access Journals (Sweden)

    Giovanni A. Badini Confalonieri

    2010-12-01

    Full Text Available Magnetic γ-Fe2O3 nanoparticles with a mean diameter of 20 nm and size distribution of 7% were chemically synthesized and spin-coated on top of a Si-substrate. As a result, the particles self-assembled into a monolayer with hexagonal close-packed order. Subsequently, the nanoparticle array was coated with a Co layer of 20 nm thickness. The magnetic properties of this composite nanoparticle/thin film system were investigated by magnetometry and related to high-resolution transmission electron microscopy studies. Herein three systems were compared: i.e. a reference sample with only the particle monolayer, a composite system where the particle array was ion-milled prior to the deposition of a thin Co film on top, and a similar composite system but without ion-milling. The nanoparticle array showed a collective super-spin behavior due to dipolar interparticle coupling. In the composite system, we observed a decoupling into two nanoparticle subsystems. In the ion-milled system, the nanoparticle layer served as a magnetic flux guide as observed by magnetic force microscopy. Moreover, an exchange bias effect was found, which is likely to be due to oxygen exchange between the iron oxide and the Co layer, and thus forming of an antiferromagnetic CoO layer at the γ-Fe2O3/Co interface.

  18. Magnetic hyperthermia properties of nanoparticles inside lysosomes using kinetic Monte Carlo simulations: Influence of key parameters and dipolar interactions, and evidence for strong spatial variation of heating power

    Science.gov (United States)

    Tan, R. P.; Carrey, J.; Respaud, M.

    2014-12-01

    Understanding the influence of dipolar interactions in magnetic hyperthermia experiments is of crucial importance for fine optimization of nanoparticle (NP) heating power. In this study we use a kinetic Monte Carlo algorithm to calculate hysteresis loops that correctly account for both time and temperature. This algorithm is shown to correctly reproduce the high-frequency hysteresis loop of both superparamagnetic and ferromagnetic NPs without any ad hoc or artificial parameters. The algorithm is easily parallelizable with a good speed-up behavior, which considerably decreases the calculation time on several processors and enables the study of assemblies of several thousands of NPs. The specific absorption rate (SAR) of magnetic NPs dispersed inside spherical lysosomes is studied as a function of several key parameters: volume concentration, applied magnetic field, lysosome size, NP diameter, and anisotropy. The influence of these parameters is illustrated and comprehensively explained. In summary, magnetic interactions increase the coercive field, saturation field, and hysteresis area of major loops. However, for small amplitude magnetic fields such as those used in magnetic hyperthermia, the heating power as a function of concentration can increase, decrease, or display a bell shape, depending on the relationship between the applied magnetic field and the coercive/saturation fields of the NPs. The hysteresis area is found to be well correlated with the parallel or antiparallel nature of the dipolar field acting on each particle. The heating power of a given NP is strongly influenced by a local concentration involving approximately 20 neighbors. Because this local concentration strongly decreases upon approaching the surface, the heating power increases or decreases in the vicinity of the lysosome membrane. The amplitude of variation reaches more than one order of magnitude in certain conditions. This transition occurs on a thickness corresponding to approximately

  19. Conversation, coupling and complexity

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Abney, Drew; Bahrami, Bahador

    We investigate the linguistic co-construction of interpersonal synergies. By applying a measure of coupling between complex systems to an experimentally elicited corpus of joint decision dialogues, we show that interlocutors’ linguistic behavior displays increasing signature of multi-scale coupling......, known as complexity matching, over the course of interaction. Furthermore, we show that stronger coupling corresponds with more effective interaction, as measured by collective task performance....

  20. Coupling Integrable Couplings of an Equation Hierarchy

    International Nuclear Information System (INIS)

    Wang Hui; Xia Tie-Cheng

    2013-01-01

    Based on a kind of Lie algebra G proposed by Zhang, one isospectral problem is designed. Under the framework of zero curvature equation, a new kind of integrable coupling of an equation hierarchy is generated using the methods proposed by Ma and Gao. With the help of variational identity, we get the Hamiltonian structure of the hierarchy. (general)

  1. A theoretical investigation on the regioselectivity of the intramolecular hetero Diels-Alder and 1,3-dipolar cycloaddition of 2-vinyloxybenzaldehyde derivatives

    Directory of Open Access Journals (Sweden)

    Hamzehloueian Mahshid

    2014-01-01

    Full Text Available The present study reports a systematic computational analysis of the two possible pathways, fused and bridged, for an intramolecular hetero Diels-Alder (IMHDA and an intramolecular 1,3-dipolar cycloaddition (IMDCA of 2-vinyloxybenzaldehyde derivatives. The potential energy surface analysis for both reactions is in agreement with experimental observations. The activation energies associated with the two regioisomeric channels in IMHDA reaction show that the bridged product is favored, although in IMDCA, the most stable TS results the fused product. The global electronic properties of fragments within each molecule were studied to discuss the reactivity patterns and charge transfer direction in the intramolecular processes. The asynchronicity of the bond formation and aromaticity of the optimized TSs in the Diels-Alder reaction as well as cycloaddition reaction were evaluated. Finally, 1H NMR chemical shifts of the possible regioisomers have been calculated using the GIAO method which of the most stable products are in agreement with the experimental data in the both reaction.

  2. Inverse electron-demand 1,3-dipolar cycloaddition of nitrile oxide with common nitriles leading to 3-functionalized 1,2,4-oxadiazoles.

    Science.gov (United States)

    Nishiwaki, Nagatoshi; Kobiro, Kazuya; Hirao, Shotaro; Sawayama, Jun; Saigo, Kazuhiko; Ise, Yumiko; Okajima, Yoshikazu; Ariga, Masahiro

    2011-10-07

    A carbamoyl-substituted nitrile oxide was generated upon treatment of easily available 2-methyl-4-nitro-3-isoxazolin-5(2H)-one with THF (not dried); the reaction proceeded efficiently even in the absence of any special reagents and reaction conditions. The nitrile oxide caused 1,3-dipolar cycloaddition with common aliphatic nitriles or electron-rich aromatic nitriles to afford 3-functionalized 1,2,4-oxadiazoles, which are expected to serve as precursors for the preparation of a variety of functional materials by the chemical transformation of the carbamoyl group. While conventional preparative methods for 1,2,4-oxadiazoles involve the cycloaddition of an electron-rich nitrile oxide with an electron-deficient nitrile or a nitrile activated by a Lewis acid, our method employs the complementary combination of an electron-rich nitrile and an electron-deficient nitrile oxide- the inverse electron-demand 1,3-cycloaddition. The DFT calculations using B3LYP 6-31G* supported the abovementioned inverse reactivity, and also suggested the presence of an accelerating effect by the carbamoyl group as a result of hydrogen bond formation with a dipolarophilic nitrile.

  3. Fine-Tuning Strain and Electronic Activation of Strain-Promoted 1,3-Dipolar Cycloadditions with Endocyclic Sulfamates in SNO-OCTs.

    Science.gov (United States)

    Burke, Eileen G; Gold, Brian; Hoang, Trish T; Raines, Ronald T; Schomaker, Jennifer M

    2017-06-14

    The ability to achieve predictable control over the polarization of strained cycloalkynes can influence their behavior in subsequent reactions, providing opportunities to increase both rate and chemoselectivity. A series of new heterocyclic strained cyclooctynes containing a sulfamate backbone (SNO-OCTs) were prepared under mild conditions by employing ring expansions of silylated methyleneaziridines. SNO-OCT derivative 8 outpaced even a difluorinated cyclooctyne in a 1,3-dipolar cycloaddition with benzylazide. The various orbital interactions of the propargylic and homopropargylic heteroatoms in SNO-OCT were explored both experimentally and computationally. The inclusion of these heteroatoms had a positive impact on stability and reactivity, where electronic effects could be utilized to relieve ring strain. The choice of the heteroatom combinations in various SNO-OCTs significantly affected the alkyne geometries, thus illustrating a new strategy for modulating strain via remote substituents. Additionally, this unique heteroatom activation was capable of accelerating the rate of reaction of SNO-OCT with diazoacetamide over azidoacetamide, opening the possibility of further method development in the context of chemoselective, bioorthogonal labeling.

  4. The concern of emergence of multi-station reaction pathways that might make stepwise the mechanism of the 1,3-dipolar cycloadditions of azides and alkynes

    Science.gov (United States)

    Mohtat, Bita; Siadati, Seyyed Amir; Khalilzadeh, Mohammad Ali; Zareyee, Daryoush

    2018-03-01

    After hot debates on the concerted or stepwise nature of the mechanism of the catalyst-free 1,3-dipolar cycloadditions (DC)s, nowadays, it is being believed that for the reaction of each dipole and dipolarophile, there is a possibility that the reaction mechanism becomes stepwise, intermediates emerge, and the reaction becomes non-stereospecific. Yield of even minimal amounts of unwanted side products or stereoisomers as impurities could bring many troubles like difficult purification steps. In this project, we have made attempts to study all probable reaction channels of the azide cycloadditions with two functionalized alkynes, in order to answer this question: "is there any possibility that intermediates evolve in the catalyst-free click 1,3-DC reaction of azide-alkynes?". During the calculations, several multi-station reaction pathways supporting the stepwise and concerted mechanisms were detected. Also, the born-oppenheimer molecular dynamic (BOMD) simulation was used to find trustable geometries which could be emerged during the reaction coordinate.

  5. Implementation of dipolar direct current (DDC) collision-induced dissociation in storage and transmission modes on a quadrupole/time-of-flight tandem mass spectrometer.

    Science.gov (United States)

    Webb, Ian K; Londry, Frank A; McLuckey, Scott A

    2011-09-15

    Means for effecting dipolar direct current collision-induced dissociation (DDC CID) on a quadrupole/time-of-flight in a mass spectrometer have been implemented for the broadband dissociation of a wide range of analyte ions. The DDC fragmentation method in electrodynamic storage and transmission devices provides a means for inducing fragmentation of ions over a large mass-to-charge range simultaneously. It can be effected within an ion storage step in a quadrupole collision cell that is operated as a linear ion trap or as ions are continuously transmitted through the collision cell. A DDC potential is applied across one pair of rods in the quadrupole collision cell of a QqTOF hybrid mass spectrometer to effect fragmentation. In this study, ions derived from a small drug molecule, a model peptide, a small protein, and an oligonucleotide were subjected to the DDC CID method in either an ion trapping or an ion transmission mode (or both). Several key experimental parameters that affect DDC CID results, such as time, voltage, low mass cutoff, and bath gas pressure, are illustrated with protonated leucine enkephalin. The DDC CID dissociation method gives a readily tunable, broadband tool for probing the primary structures of a wide range of analyte ions. The method provides an alternative to the narrow resonance conditions of conventional ion trap CID and it can access more extensive sequential fragmentation, depending upon conditions. The DDC CID approach constitutes a collision analog to infrared multiphoton dissociation (IRMPD). Copyright © 2011 John Wiley & Sons, Ltd.

  6. Influence of Endo- and Exocyclic Heteroatoms on Stabilities and 1,3-Dipolar Cycloaddition Reactivities of Mesoionic Azomethine Ylides and Imines.

    Science.gov (United States)

    Champagne, Pier Alexandre; Houk, K N

    2017-10-20

    The geometries, stabilities, and 1,3-dipolar cycloaddition reactivities of 24 mesoionic azomethine ylides and imines were investigated using density functional theory calculations at the M06-2X/6-311+G-(d,p)/M06-2X/6-31G-(d) level. The computed structures highlight how the commonly used "aromatic" resonance form should be replaced by two more accurate resonance structures. Stabilities of the dipoles were assessed by various homodesmotic schemes and are consistent with these compounds being nonaromatic. The activation free energies with ethylene or acetylene range from 11.8 to 36.6 kcal/mol. Within each dipole type, the predicted cycloaddition reactivities correlate with the reaction energies and the resonance stabilization energies provided by the various substituents. Endocyclic (X) heteroatoms increase the reactivity of the 1,3-dipoles in the order of O > NH ≅ S, whereas exocyclic (Y) substituents increase it in the order of CH 2 > NH > O > S. Distortion/interaction analysis indicated that the difference in reactivity between differently substituted 1,3-dipoles is driven by distortion, whereas the difference between azomethine ylides and imines is related to lower interaction energies of imines with the dipolarophiles.

  7. Cancer Cell Hyperactivity and Membrane Dipolarity Monitoring via Raman Mapping of Interfaced Graphene: Toward Non-Invasive Cancer Diagnostics.

    Science.gov (United States)

    Keisham, Bijentimala; Cole, Arron; Nguyen, Phong; Mehta, Ankit; Berry, Vikas

    2016-12-07

    Ultrasensitive detection, mapping, and monitoring of the activity of cancer cells is critical for treatment evaluation and patient care. Here, we demonstrate that a cancer cell's glycolysis-induced hyperactivity and enhanced electronegative membrane (from sialic acid) can sensitively modify the second-order overtone of in-plane phonon vibration energies (2D) of interfaced graphene via a hole-doping mechanism. By leveraging ultrathin graphene's high quantum capacitance and responsive phononics, we sensitively differentiated the activity of interfaced Glioblastoma Multiforme (GBM) cells, a malignant brain tumor, from that of human astrocytes at a single-cell resolution. GBM cell's high surface electronegativity (potential ∼310 mV) and hyperacidic-release induces hole-doping in graphene with a 3-fold higher 2D vibration energy shift of approximately 6 ± 0.5 cm -1 than astrocytes. From molecular dipole-induced quantum coupling, we estimate that the sialic acid density on the cell membrane increases from one molecule per ∼17 nm 2 to one molecule per ∼7 nm 2 . Furthermore, graphene phononic response also identified enhanced acidity of cancer cell's growth medium. Graphene's phonon-sensitive platform to determine interfaced cell's activity/chemistry will potentially open avenues for studying activity of other cancer cell types, including metastatic tumors, and characterizing different grades of their malignancy.

  8. Effects of microwave electric fields on the translational diffusion of dipolar molecules in surface potential: A simulation study

    Science.gov (United States)

    Kapranov, Sergey V.; Kouzaev, Guennadi A.

    2018-01-01

    Variations of effective diffusion coefficient of polar molecules exposed to microwave electric fields in a surface potential are studied by solving coupled stochastic differential equations of motion with a deterministic component of the surface force. Being an essential tool for the simulation interpretation, a theoretical approach to effective diffusion in surface potential is first developed. The effective diffusion coefficient is represented as the product of the normal diffusion coefficient and potential-dependent correction function, whose temperature dependence is close to the Arrhenius form. The analytically found zero-diffusion condition defines the state of thermal equilibrium at the surface. The diffusion of a water-like dipole molecule in the potential of graphite surface is simulated in the field-free conditions and in the presence of the alternating electric fields of various magnitude intensities and frequencies. Temperature dependence of the correction function exhibits field-induced variations of the effective Lennard-Jones energy parameter. It demonstrates maximum departure from the zero-field value at certain frequencies and intensities, which is associated with variations in the rotational dynamics. A concept of the amplitude-frequency resonance put forward to interpret the simulation results is explained using a heuristic reasoning and is corroborated by semi-quantitative considerations in terms of the Dissado-Hill cluster theory of dielectric relaxation.

  9. Surface-enhanced Raman scattering of dipolar molecules by the graphene Fermi surface modulation with different dipole moments

    Science.gov (United States)

    Zhang, Mingjia; Leng, Yandan; Huang, Jing; Yu, JiaoJiao; Lan, Zhenggang; Huang, Changshui

    2017-12-01

    We report the modulation of Raman scattering spectrum of chromophore/graphene hybrids by tunning the molecular polarization with different terminal groups (methyl, methoxy, nitrile, and two nitros). Based on the density functional theory, the specific dipole moment values of the chromophore molecules are calculated. An obvious surface-enhanced Raman scattering (SERS) was observed and the scattering intensity of molecule increases with enlarged dipole moment. According to the analysis of G band Raman shifts of graphene, the enhancement of the Raman signal can be attributed to strong electronic coupling between graphene and chromophore, which is closely related with the modulation of graphene Fermi surface by changing the dipole moment of the molecule. Besides, the optimization of the ground state geometry and the binding energy of the hybrids were also calculated with the Density Functional Based Tight Bonding (DFTB) method, which confirms that the enhanced Raman scattering of molecules on graphene arises from the improved energy level matching between graphene Fermi surface and molecular band, further providing a new way to design novel SERS devices.

  10. Translation-coupling systems

    Science.gov (United States)

    Pfleger, Brian; Mendez-Perez, Daniel

    2013-11-05

    Disclosed are systems and methods for coupling translation of a target gene to a detectable response gene. A version of the invention includes a translation-coupling cassette. The translation-coupling cassette includes a target gene, a response gene, a response-gene translation control element, and a secondary structure-forming sequence that reversibly forms a secondary structure masking the response-gene translation control element. Masking of the response-gene translation control element inhibits translation of the response gene. Full translation of the target gene results in unfolding of the secondary structure and consequent translation of the response gene. Translation of the target gene is determined by detecting presence of the response-gene protein product. The invention further includes RNA transcripts of the translation-coupling cassettes, vectors comprising the translation-coupling cassettes, hosts comprising the translation-coupling cassettes, methods of using the translation-coupling cassettes, and gene products produced with the translation-coupling cassettes.

  11. Precise single-qubit control of the reflection phase of a photon mediated by a strongly-coupled ancilla–cavity system

    Science.gov (United States)

    Motzoi, F.; Mølmer, K.

    2018-05-01

    We propose to use the interaction between a single qubit atom and a surrounding ensemble of three level atoms to control the phase of light reflected by an optical cavity. Our scheme employs an ensemble dark resonance that is perturbed by the qubit atom to yield a single-atom single photon gate. We show here that off-resonant excitation towards Rydberg states with strong dipolar interactions offers experimentally-viable regimes of operations with low errors (in the 10‑3 range) as required for fault-tolerant optical-photon, gate-based quantum computation. We also propose and analyze an implementation within microwave circuit-QED, where a strongly-coupled ancilla superconducting qubit can be used in the place of the atomic ensemble to provide high-fidelity coupling to microwave photons.

  12. Plastics pipe couplings

    International Nuclear Information System (INIS)

    Glover, J.B.

    1980-07-01

    A method is described of making a pipe coupling of the type comprising a plastics socket and a resilient annular sealing member secured in the mouth thereof, in which the material of at least one component of the coupling is subjected to irradiation with high energy radiation whereby the material is caused to undergo cross-linking. As examples, the coupling may comprise a polyethylene or plasticised PVC socket the material of which is subjected to irradiation, and the sealing member may be moulded from a thermoplastic elastomer which is subjected to irradiation. (U.K.)

  13. Floquet-Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance spectra

    Science.gov (United States)

    Mananga, Eugene Stephane; Charpentier, Thibault

    2015-04-01

    In this paper we present a theoretical perturbative approach for describing the NMR spectrum of strongly dipolar-coupled spin systems under fast magic-angle spinning. Our treatment is based on two approaches: the Floquet approach and the Floquet-Magnus expansion. The Floquet approach is well known in the NMR community as a perturbative approach to get analytical approximations. Numerical procedures are based on step-by-step numerical integration of the corresponding differential equations. The Floquet-Magnus expansion is a perturbative approach of the Floquet theory. Furthermore, we address the " γ -encoding" effect using the Floquet-Magnus expansion approach. We show that the average over " γ " angle can be performed for any Hamiltonian with γ symmetry.

  14. Coupling in the Tevatron

    International Nuclear Information System (INIS)

    Gelfand, N.M.

    1994-12-01

    The performance of the Fermilab Tevatron Collider at the commencement of run Ib was far below expectations. After a frustrating period of several months, a low-β quad downstream of the interaction point at B0 was found to be rolled. This rolled quadrupole coupled the horizontal and vertical motion of the Tevatron beams. It also made matching the beam from the Main Ring to the Tevatron impossible, resulting in emittance blow up on injection. The net result of the roll was a significant reduction in the Tevatron luminosity. When the roll in the quadrupole was corrected the performance of the Tevatron improved dramatically. This note will discuss the experimental data indicating the presence of coupling and subsequent calculations which show how coupling an affect the luminosity. It is not intended to exhaust a discussion of coupling, which hopefully will be understood well enough to be discussed in a subsequent note

  15. Ensemble-average versus suspension-scale Cauchy continuum-mechanical definitions of stress in polarized suspensions: Global homogenization of a dilute suspension of dipolar spherical particles

    International Nuclear Information System (INIS)

    Almog, Y.; Brenner, H.

    1999-01-01

    The macroscale rheological properties of a dilute suspension exposed to a uniform external field and composed of identical, rigid, inhomogeneous, dipolar, spherical particles dispersed in an incompressible Newtonian fluid and possessing the same mean density as the latter fluid are derived from knowledge of its microscale properties by applying a global ensemble-averaging technique. Each dipole, which is permanently embedded in the particle, is assumed to be generated by the presence of an inhomogeneous external body-force field in the particle interior resulting from the action of the uniform external field on an inhomogeneous distribution of interior matter. It is shown that although the ensemble-average stress tensor is symmetric, the suspension nevertheless behaves macroscopically as if it possessed an asymmetric stress tensor. This seeming contradiction can be traced to the fact that the average body force acting on the contents of any arbitrarily drawn volume lying in the interior of the suspension does not vanish despite the fact that each particle is 'neutrally buoyant'. That this force is not zero stems from the fact that some particles necessarily straddle the closed surface bounding that volume, and that the distribution of external body forces over the interiors of these particles is nonuniform. As such, that portion of the spherical particle lying outside of the surface enclosing the domain exerts a force on the remaining portion of the sphere lying within that domain. We then demonstrate that the natural macroscopic model, which is derived by equating the divergence of the suspension-scale stress appearing in that model to the ensemble-average external body-force field, and which predicts a symmetric stress tensor, is macroscopically deficient with respect to the more intuitive asymmetric stress model usually proposed by continuum mechanicians for such a suspension. It is shown that the latter, continuum-mechanical model recovers all the physically

  16. Coupled transverse motion

    International Nuclear Information System (INIS)

    Teng, L.C.

    1989-01-01

    The magnetic field in an accelerator or a storage ring is usually so designed that the horizontal (x) and the vertical (y) motions of an ion are uncoupled. However, because of imperfections in construction and alignment, some small coupling is unavoidable. In this lecture, we discuss in a general way what is known about the behaviors of coupled motions in two degrees-of-freedom. 11 refs., 6 figs

  17. Numerical calculation of beam coupling impedances in synchrotron accelerators

    International Nuclear Information System (INIS)

    Haenichen, Lukas

    2016-01-01

    Beams of charged particles are of interest in various fields of research including particle and nuclear physics, material and medical science and many more. In synchrotron accelerators the accelerating section is passed periodically. A closed loop trajectory is enforced, by increasing the frequency of the accelerating electric field and the magnitude of the dipolar magnetic guide field synchronously. A synchrotron therefore consists of a circular assembly of various beamline elements which serve the purposes of accelerating and guiding the particle beam. For the flawless operation of such a machine it has to be assured that the particles perform a controlled motion along predefined trajectories. Amongst others, the fulfillment of the corresponding stability criteria is in close conjuction with the so-called beam coupling impedances which are an important figure of merit for collective effects in synchrotron accelerators. This work focuses on analytical and numerical methods for the calculation of beam coupling impedances. One of the primary objectives is to gain a better understanding of the electrodynamics related to charged particle beams, furthermore to recapitulate the mathematical description of charged particle beams in both time and frequency domain and finally establish the links between actual physics and numerical modeling. Analytical methods are usually restricted to symmetrical geometry and may solely serve for the approximate determination of the field distribution in real geometries or to validate certain numerical methods. More accurate prognosis is only possible with three-dimensional simulation models. Numerical simulation techniques have been established in the second half of the last century accompanying the evolution of many particle accelerators. Classical time domain codes were the prevailing simulation tools where the actual process of the particle motion sequence is reproduced. For the present case of a heavy ion synchrotron accelerator

  18. Numerical calculation of beam coupling impedances in synchrotron accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Haenichen, Lukas

    2016-07-01

    Beams of charged particles are of interest in various fields of research including particle and nuclear physics, material and medical science and many more. In synchrotron accelerators the accelerating section is passed periodically. A closed loop trajectory is enforced, by increasing the frequency of the accelerating electric field and the magnitude of the dipolar magnetic guide field synchronously. A synchrotron therefore consists of a circular assembly of various beamline elements which serve the purposes of accelerating and guiding the particle beam. For the flawless operation of such a machine it has to be assured that the particles perform a controlled motion along predefined trajectories. Amongst others, the fulfillment of the corresponding stability criteria is in close conjuction with the so-called beam coupling impedances which are an important figure of merit for collective effects in synchrotron accelerators. This work focuses on analytical and numerical methods for the calculation of beam coupling impedances. One of the primary objectives is to gain a better understanding of the electrodynamics related to charged particle beams, furthermore to recapitulate the mathematical description of charged particle beams in both time and frequency domain and finally establish the links between actual physics and numerical modeling. Analytical methods are usually restricted to symmetrical geometry and may solely serve for the approximate determination of the field distribution in real geometries or to validate certain numerical methods. More accurate prognosis is only possible with three-dimensional simulation models. Numerical simulation techniques have been established in the second half of the last century accompanying the evolution of many particle accelerators. Classical time domain codes were the prevailing simulation tools where the actual process of the particle motion sequence is reproduced. For the present case of a heavy ion synchrotron accelerator

  19. Projected coupled cluster theory.

    Science.gov (United States)

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

    2017-08-14

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

  20. Tube coupling device

    Science.gov (United States)

    Myers, William N. (Inventor); Hein, Leopold A. (Inventor)

    1987-01-01

    A first annular ring of a tube coupling device has a keyed opening sized to fit around the nut region of a male coupling, and a second annular ring has a keyed opening sized to fit around the nut of a female coupling. Each ring has mating ratchet teeth and these rings are biased together, thereby engaging these teeth and preventing rotation of these rings. This in turn prevents the rotation of the male nut region with respect to the female nut. For tube-to-bulkhead locking, one facet of one ring is notched, and a pin is pressed into an opening in the bulkhead. This pin is sized to fit within one of the notches in the ring, thereby preventing rotation of this ring with respect to the bulkhead.

  1. EMP coupling to ships

    International Nuclear Information System (INIS)

    Deadrick, F.J.; Cabayan, H.S.; Kunz, K.F.; Bevensee, R.M.; Martin, L.C.; Egbert, R.W.

    1980-01-01

    Scale-model tests were conducted to establish the adequacy and limitations of model measurements as tools for predicting electromagnetic pulse (EMP) coupling voltages and currents to the critical antennas, cables, and metallic structures on ships. The scale-model predictions are compared with the results of the full-scale EMP simulation test of the Canadian ASW ship, HMCS Huron. (The EMP coupling predictions in this report were made without prior knowledge of the results of the data from the HMCS Huron tests.) This report establishes that the scale-model tests in conjunction with the data base from EMP coupling modules provides the necessary information for source model development and permits effective, low-cost study of particular system configurations. 184 figures, 9 tables

  2. Strong-coupling approximations

    International Nuclear Information System (INIS)

    Abbott, R.B.

    1984-03-01

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

  3. Coupled moderator neutronics

    International Nuclear Information System (INIS)

    Russell, G.J.; Pitcher, E.J.; Ferguson, P.D.

    1995-01-01

    Optimizing the neutronic performance of a coupled-moderator system for a Long-Pulse Spallation Source is a new and challenging area for the spallation target-system designer. For optimal performance of a neutron source, it is essential to have good communication with instrument scientists to obtain proper design criteria and continued interaction with mechanical, thermal-hydraulic, and materials engineers to attain a practical design. A good comprehension of the basics of coupled-moderator neutronics will aid in the proper design of a target system for a Long-Pulse Spallation Source

  4. Coupled nonlinear oscillators

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, J; Scott, A C

    1983-01-01

    Topics discussed include transitions in weakly coupled nonlinear oscillators, singularly perturbed delay-differential equations, and chaos in simple laser systems. Papers are presented on truncated Navier-Stokes equations in a two-dimensional torus, on frequency locking in Josephson point contacts, and on soliton excitations in Josephson tunnel junctions. Attention is also given to the nonlinear coupling of radiation pulses to absorbing anharmonic molecular media, to aspects of interrupted coarse-graining in stimulated excitation, and to a statistical analysis of long-term dynamic irregularity in an exactly soluble quantum mechanical model.

  5. Apodized coupled resonator waveguides.

    Science.gov (United States)

    Capmany, J; Muñoz, P; Domenech, J D; Muriel, M A

    2007-08-06

    In this paper we propose analyse the apodisation or windowing of the coupling coefficients in the unit cells of coupled resonator waveguide devices (CROWs) as a means to reduce the level of secondary sidelobes in the bandpass characteristic of their transfer functions. This technique is regularly employed in the design of digital filters and has been applied as well in the design of other photonic devices such as corrugated waveguide filters and fiber Bragg gratings. The apodisation of both Type-I and Type-II structures is discussed for several windowing functions.

  6. Coupling in reflector arrays

    DEFF Research Database (Denmark)

    Appel-Hansen, Jørgen

    1968-01-01

    In order to reduce the space occupied by a reflector array, it is desirable to arrange the array antennas as close to each other as possible; however, in this case coupling between the array antennas will reduce the reflecting properties of the reflector array. The purpose of the present communic......In order to reduce the space occupied by a reflector array, it is desirable to arrange the array antennas as close to each other as possible; however, in this case coupling between the array antennas will reduce the reflecting properties of the reflector array. The purpose of the present...

  7. Protein addressing on patterned microchip by coupling chitosan electrodeposition and 'electro-click' chemistry.

    Science.gov (United States)

    Shi, Xiao-Wen; Qiu, Ling; Nie, Zhen; Xiao, Ling; Payne, Gregory F; Du, Yumin

    2013-12-01

    Many applications in proteomics and lab-on-chip analysis require methods that guide proteins to assemble at surfaces with high spatial and temporal control. Electrical inputs are particularly convenient to control, and there has been considerable effort to discover simple and generic mechanisms that allow electrical inputs to trigger protein assembly on-demand. Here, we report the electroaddressing of a protein to a patterned surface by coupling two generic electroaddressing mechanisms. First, we electrodeposit the stimuli-responsive film-forming aminopolysaccharide chitosan to form a hydrogel matrix at the electrode surface. After deposition, the matrix is chemically functionalized with alkyne groups. Second, we ''electro-click' an azide-tagged protein to the functionalized matrix using electrical signals to trigger conjugation by Huisgen 1,3-dipolar cycloadditions. Specifically, a cathodic potential is applied to the matrix-coated electrode to reduce Cu(II) to Cu(I) which is required for the click reaction. Using fluorescently-labeled bovine serum albumin as our model, we demonstrate that protein conjugation can be controlled spatially and temporally. We anticipate that the coupling of polysaccharide electrodeposition and electro-click chemistry will provide a simple and generic approach to electroaddress proteins within compatible hydrogel matrices.

  8. M-I coupling across the auroral oval at dusk and midnight. Repetitive substorm activity driven by interplanetary coronal mass ejections (CMEs)

    Energy Technology Data Exchange (ETDEWEB)

    Sandholt, P.E. [Oslo Univ. (Norway). Dept. of Physics; Farrugia, C.J. [New Hampshire Univ., Durham (United Kingdom). Space Science Center; Denig, W.F. [NOAA, Boulder, CO (United States)

    2014-07-01

    We study substorms from two perspectives, i.e., magnetosphere-ionosphere coupling across the auroral oval at dusk and at midnight magnetic local times. By this approach we monitor the activations/expansions of basic elements of the substorm current system (Bostroem type I centered at midnight and Bostroem type II maximizing at dawn and dusk) during the evolution of the substorm activity. Emphasis is placed on the R1 and R2 types of field-aligned current (FAC) coupling across the Harang reversal at dusk. We distinguish between two distinct activity levels in the substorm expansion phase, i.e., an initial transient phase and a persistent phase. These activities/phases are discussed in relation to polar cap convection which is continuously monitored by the polar cap north (PCN) index. The substorm activity we selected occurred during a long interval of continuously strong solar wind forcing at the interplanetary coronal mass ejection passage on 18 August 2003. The advantage of our scientific approach lies in the combination of (i) continuous ground observations of the ionospheric signatures within wide latitude ranges across the auroral oval at dusk and midnight by meridian chain magnetometer data, (ii) 'snapshot' satellite (DMSP F13) observations of FAC/precipitation/ion drift profiles, and (iii) observations of current disruption/near-Earth magnetic field dipolarizations at geostationary altitude. Under the prevailing fortunate circumstances we are able to discriminate between the roles of the dayside and nightside sources of polar cap convection. For the nightside source we distinguish between the roles of inductive and potential electric fields in the two substages of the substorm expansion phase. According to our estimates the observed dipolarization rate (δB{sub z}/δt) and the inferred large spatial scales (in radial and azimuthal dimensions) of the dipolarization process in these strong substorm expansions may lead to 50-100 kV enhancements of the

  9. M–I coupling across the auroral oval at dusk and midnight: repetitive substorm activity driven by interplanetary coronal mass ejections (CMEs

    Directory of Open Access Journals (Sweden)

    P. E. Sandholt

    2014-04-01

    Full Text Available We study substorms from two perspectives, i.e., magnetosphere–ionosphere coupling across the auroral oval at dusk and at midnight magnetic local times. By this approach we monitor the activations/expansions of basic elements of the substorm current system (Bostrøm type I centered at midnight and Bostrøm type II maximizing at dawn and dusk during the evolution of the substorm activity. Emphasis is placed on the R1 and R2 types of field-aligned current (FAC coupling across the Harang reversal at dusk. We distinguish between two distinct activity levels in the substorm expansion phase, i.e., an initial transient phase and a persistent phase. These activities/phases are discussed in relation to polar cap convection which is continuously monitored by the polar cap north (PCN index. The substorm activity we selected occurred during a long interval of continuously strong solar wind forcing at the interplanetary coronal mass ejection passage on 18 August 2003. The advantage of our scientific approach lies in the combination of (i continuous ground observations of the ionospheric signatures within wide latitude ranges across the auroral oval at dusk and midnight by meridian chain magnetometer data, (ii "snapshot" satellite (DMSP F13 observations of FAC/precipitation/ion drift profiles, and (iii observations of current disruption/near-Earth magnetic field dipolarizations at geostationary altitude. Under the prevailing fortunate circumstances we are able to discriminate between the roles of the dayside and nightside sources of polar cap convection. For the nightside source we distinguish between the roles of inductive and potential electric fields in the two substages of the substorm expansion phase. According to our estimates the observed dipolarization rate (δ Bz/δt and the inferred large spatial scales (in radial and azimuthal dimensions of the dipolarization process in these strong substorm expansions may lead to 50–100 kV enhancements of the

  10. ElectroWeak Bosons Couplings

    CERN Document Server

    Ouraou, Ahmimed; The ATLAS collaboration

    2016-01-01

    Latest results on the measurement of gauge boson couplings, from ATLAS and CMS at the LHC, are presented. This review starts with an introduction to boson couplings, then the measurements of Triple and Quartic Couplings are described. And finally, limits on anomalous couplings are summarized.

  11. Anomalous top magnetic couplings

    Indian Academy of Sciences (India)

    2012-11-09

    Nov 9, 2012 ... Corresponding author. E-mail: remartinezm@unal.edu.co. Abstract. The real and imaginary parts of the one-loop electroweak contributions to the left and right tensorial anomalous couplings of the tbW vertex in the Standard Model (SM) are computed. Keywords. Top; anomalous. PACS Nos 14.65.Ha; 12.15 ...

  12. HIV-discordant couples

    African Journals Online (AJOL)

    Winnie

    2006-06-02

    Jun 2, 2006 ... These may broadly be divided into factors that affect the transmissibility of HIV between couples per sex act and factors influencing the number of sex acts during which exposure may occur. Examples of the former include use of condoms or other barrier methods and certain sexual behaviours, such as sex.

  13. Gravitationally coupled electroweak monopole

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Y.M., E-mail: ymcho7@konkuk.ac.kr [Administration Building 310-4, Konkuk University, Seoul 143-701 (Korea, Republic of); School of Physics and Astronomy, Seoul National University, Seoul 151-742 (Korea, Republic of); Kimm, Kyoungtae [Faculty of Liberal Education, Seoul National University, Seoul 151-747 (Korea, Republic of); Yoon, J.H. [Department of Physics, College of Natural Sciences, Konkuk University, Seoul 143-701 (Korea, Republic of)

    2016-10-10

    We present a family of gravitationally coupled electroweak monopole solutions in Einstein–Weinberg–Salam theory. Our result confirms the existence of globally regular gravitating electroweak monopole which changes to the magnetically charged black hole as the Higgs vacuum value approaches to the Planck scale. Moreover, our solutions could provide a more accurate description of the monopole stars and magnetically charged black holes.

  14. International Migration of Couples

    DEFF Research Database (Denmark)

    Junge, Martin; Munk, Martin D.; Nikolka, Till

    2018-01-01

    Migrant self-selection is important to labor markets and public finances in both origin and destination countries. We develop a theoretical model regarding the migration of dual-earner couples and test it using population-wide administrative data from Denmark. Our model predicts that the probabil...

  15. Energy conversion at dipolarization fronts

    Science.gov (United States)

    Khotyaintsev, Yu. V.; Divin, A.; Vaivads, A.; André, M.; Markidis, S.

    2017-02-01

    We use multispacecraft observations by Cluster in the Earth's magnetotail and 3-D particle-in-cell simulations to investigate conversion of electromagnetic energy at the front of a fast plasma jet. We find that the major energy conversion is happening in the Earth (laboratory) frame, where the electromagnetic energy is being transferred from the electromagnetic field to particles. This process operates in a region with size of the order several ion inertial lengths across the jet front, and the primary contribution to E·j is coming from the motional electric field and the ion current. In the frame of the front we find fluctuating energy conversion with localized loads and generators at sub-ion scales which are primarily related to the lower hybrid drift instability excited at the front; however, these provide relatively small net energy conversion.

  16. Warthog: Coupling Status Update

    Energy Technology Data Exchange (ETDEWEB)

    Hart, Shane W. D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Reardon, Bradley T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-06-30

    The Warthog code was developed to couple codes that are developed in both the Multi-Physics Object-Oriented Simulation Environment (MOOSE) from Idaho National Laboratory (INL) and SHARP from Argonne National Laboratory (ANL). The initial phase of this work, focused on coupling the neutronics code PROTEUS with the fuel performance code BISON. The main technical challenge involves mapping the power density solution determined by PROTEUS to the fuel in BISON. This presents a challenge since PROTEUS uses the MOAB mesh format, but BISON, like all other MOOSE codes, uses the libMesh format. When coupling the different codes, one must consider that Warthog is a light-weight MOOSE-based program that uses the Data Transfer Kit (DTK) to transfer data between the various mesh types. Users set up inputs for the codes they want to run, and then Warthog transfers the data between them. Currently Warthog supports XSProc from SCALE or the Sub-Group Application Programming Interface (SGAPI) in PROTEUS for generating cross sections. It supports arbitrary geometries using PROTEUS and BISON. DTK will transfer power densities and temperatures between the codes where the domains overlap. In the past fiscal year (FY), much work has gone into demonstrating two-way coupling for simple pin cells of various materials. XSProc was used to calculate the cross sections, which were then passed to PROTEUS in an external file. PROTEUS calculates the fission/power density, and Warthog uses DTK to pass this information to BISON, where it is used as the heat source. BISON then calculates the temperature profile of the pin cell and sends it back to XSProc to obtain the temperature corrected cross sections. This process is repeated until the convergence criteria (tolerance on BISON solve, or number of time steps) is reached. Models have been constructed and run for both uranium oxide and uranium silicide fuels. These models demonstrate a clear difference in power shape that is not accounted for in a

  17. Optically coupled semiconductor device

    Energy Technology Data Exchange (ETDEWEB)

    Kumagaya, Naoki

    1988-11-18

    This invention concerns an optically coupled semiconductor device using the light as input signal and a MOS transistor for the output side in order to control on-off of the output side by the input signal which is insulated from the output. Concerning this sort of element, when a MOS transistor and a load resistance are planned to be accumulated on the same chip, a resistor and control of impurity concentration of the channel, etc. become necessary despite that the only formation of a simple P-N junction is enough, for a solar cell, hence cost reduction thereof cannot be done. In order to remove this defect, this invention offers an optically coupled semiconductor device featuring that two solar cells are connected in reverse parallel between the gate sources of the output MOS transistors and an operational light emitting element is individually set facing a respective solar cell. 4 figs.

  18. Magnetic coupling device

    Science.gov (United States)

    Nance, Thomas A [Aiken, SC

    2009-08-18

    A quick connect/disconnect coupling apparatus is provided in which a base member is engaged by a locking housing through a series of interengagement pins. The pins maintain the shaft in a locked position. Upon exposure to an appropriately positioned magnetic field, pins are removed a sufficient distance such that the shaft may be withdrawn from the locking housing. The ability to lock and unlock the connector assembly requires no additional tools or parts apart from a magnetic key.

  19. Coupling of Hidden Sector

    OpenAIRE

    Królikowski, Wojciech

    2016-01-01

    A hypothetic Hidden Sector of the Universe, consisting of sterile fer\\-mions (``sterinos'') and sterile mediating bosons (``sterons'') of mass dimension 1 (not 2!) --- the last described by an antisymmetric tensor field --- requires to exist also a scalar isovector and scalar isoscalar in order to be able to construct electroweak invariant coupling (before spontaneously breaking its symmetry). The introduced scalar isoscalar might be a resonant source for the diphoton excess of 750 GeV, sugge...

  20. Quick torque coupling

    Science.gov (United States)

    Luft, Peter A [El Cerrito, CA

    2009-05-12

    A coupling for mechanically connecting modular tubular struts of a positioning apparatus or space frame, comprising a pair of toothed rings (10, 12) attached to separate strut members (16), the teeth (18, 20) of the primary rings (10, 12) mechanically interlocking in both an axial and circumferential manner, and a third part comprising a sliding, toothed collar (14) the teeth (22) of which interlock the teeth (18, 20) of the primary rings (10, 12), preventing them from disengaging, and completely locking the assembly together. A secondary mechanism provides a nesting force for the collar, and/or retains it. The coupling is self-contained and requires no external tools for installation, and can be assembled with gloved hands in demanding environments. No gauging or measured torque is required for assembly. The assembly can easily be visually inspected to determine a "go" or "no-go" status. The coupling is compact and relatively light-weight. Because of it's triply interlocking teeth, the connection is rigid. The connection does not primarily rely on clamps, springs or friction based fasteners, and is therefore reliable in fail-safe applications.

  1. Coupling and decoupling

    International Nuclear Information System (INIS)

    Ravenal, E.C.

    1988-01-01

    This paper reports on the prospects of coupling and decoupling for extended deterrence. Thirty-eight years after the foundation of NATO, the defence of Western Europe still rests on the proposition that an American president will invite the destruction of US cities and the incineration of 100 million of its citizens to repel a Soviet incursion or resist a Soviet ultimatum in Western Europe. On its face, America's war plan---never denied by any president from Truman to Reagan, or by any Secretary of State from George Marshall to George Shultz---is the first use of nuclear weapons, if necessary, to defend Europe. Thus America threatens to turn local defeat into global holocaust. But under the surface, America's nuclear commitment to Europe is not so sure. The word that encapsulates this problem is coupling. Not the title of an Updike novel or an anthropological treatise by Margaret Mead, coupling is a term of art used by strategic analysts to connote the integrity of the chain of escalation, from conventional war in Europe, to theatre nuclear weapons, to the final use of America's ultimate strategic weapon

  2. Coupled-resonator optical waveguides

    DEFF Research Database (Denmark)

    Raza, Søren; Grgic, Jure; Pedersen, Jesper Goor

    2010-01-01

    Coupled-resonator optical waveguides hold potential for slow-light propagation of optical pulses. The dispersion properties may adequately be analyzed within the framework of coupled-mode theory. We extend the standard coupled-mode theory for such structures to also include complex-valued paramet......Coupled-resonator optical waveguides hold potential for slow-light propagation of optical pulses. The dispersion properties may adequately be analyzed within the framework of coupled-mode theory. We extend the standard coupled-mode theory for such structures to also include complex...

  3. Optimized coupling of cold atoms into a fiber using a blue-detuned hollow-beam funnel

    Energy Technology Data Exchange (ETDEWEB)

    Poulin, Jerome; Light, Philip S.; Kashyap, Raman; Luiten, Andre N. [Frequency Standards and Metrology Group, School of Physics, University of Western Australia, Western Australia 6009, Perth (Australia); Department of Engineering Physics, Ecole Polytechnique de Montreal, Montreal, Quebec, Canada H3C 3A7 (Canada); Frequency Standards and Metrology, School of Physics, University of Western Australia, Western Australia 6009, Perth (Australia)

    2011-11-15

    We theoretically investigate the process of coupling cold atoms into the core of a hollow-core photonic-crystal optical fiber using a blue-detuned Laguerre-Gaussian beam. In contrast to the use of a red-detuned Gaussian beam to couple the atoms, the blue-detuned hollow beam can confine cold atoms to the darkest regions of the beam, thereby minimizing shifts in the internal states and making the guide highly robust to heating effects. This single optical beam is used as both a funnel and a guide to maximize the number of atoms into the fiber. In the proposed experiment, Rb atoms are loaded into a magneto-optical trap (MOT) above a vertically oriented optical fiber. We observe a gravito-optical trapping effect for atoms with high orbital momentum around the trap axis, which prevents atoms from coupling to the fiber: these atoms lack the kinetic energy to escape the potential and are thus trapped in the laser funnel indefinitely. We find that by reducing the dipolar force to the point at which the trapping effect just vanishes, it is possible to optimize the coupling of atoms into the fiber. Our simulations predict that by using a low-power (2.5 mW) and far-detuned (300 GHz) Laguerre-Gaussian beam with a 20-{mu}m-radius core hollow fiber, it is possible to couple 11% of the atoms from a MOT 9 mm away from the fiber. When the MOT is positioned farther away, coupling efficiencies over 50% can be achieved with larger core fibers.

  4. Impact of nucleic acid self-alignment in a strong magnetic field on the interpretation of indirect spin–spin interactions

    International Nuclear Information System (INIS)

    Vavřinská, Andrea; Zelinka, Jiří; Šebera, Jakub; Sychrovský, Vladimír; Fiala, Radovan; Boelens, Rolf; Sklenář, Vladimír; Trantírek, Lukáš

    2016-01-01

    Heteronuclear and homonuclear direct (D) and indirect (J) spin–spin interactions are important sources of structural information about nucleic acids (NAs). The Hamiltonians for the D and J interactions have the same functional form; thus, the experimentally measured apparent spin–spin coupling constant corresponds to a sum of J and D. In biomolecular NMR studies, it is commonly presumed that the dipolar contributions to Js are effectively canceled due to random molecular tumbling. However, in strong magnetic fields, such as those employed for NMR analysis, the tumbling of NA fragments is anisotropic because the inherent magnetic susceptibility of NAs causes an interaction with the external magnetic field. This motional anisotropy is responsible for non-zero D contributions to Js. Here, we calculated the field-induced D contributions to 33 structurally relevant scalar coupling constants as a function of magnetic field strength, temperature and NA fragment size. We identified two classes of Js, namely 1 J CH and 3 J HH couplings, whose quantitative interpretation is notably biased by NA motional anisotropy. For these couplings, the magnetic field-induced dipolar contributions were found to exceed the typical experimental error in J-coupling determinations by a factor of two or more and to produce considerable over- or under-estimations of the J coupling-related torsion angles, especially at magnetic field strengths >12 T and for NA fragments longer than 12 bp. We show that if the non-zero D contributions to J are not properly accounted for, they might cause structural artifacts/bias in NA studies that use solution NMR spectroscopy

  5. Effect of Group Cognitive Behavioral Couples Therapy on Couple Burnout and Divorce Tendency in Couples

    Directory of Open Access Journals (Sweden)

    M Mohammadi

    2017-02-01

    Full Text Available Background & aim: Couple burnout is one of the phenomena which involve many couples, it is among the main causes of emotional divorce, and without proper management and treatment, and it can lay the ground for formal divorce among couples. Cognitive behavioral couple therapy is one of the existing approaches in the couple therapy field, the efficiency of which has been established for resolving many marital problems. The present study was designed by the aim of investigating the effect of group cognitive behavioral couple therapy on couple burnout and divorce tendency in couples.   Methods: The present research was of applied research type. The research method was semi-empirical with a pretest-posttest with control group design. The research population included all the couples with marital conflict and problems who, after a recall announcement of the researcher, visited the counseling and psychological services center located in Gorgan city in 2014. By using the available sampling method, 20 couples were selected among the volunteer and qualified couples for the research, and they were assigned into experiment and control groups (10 couples per group by random assignment. In the present research, the Pines burnout questionnaire (1996 and divorce tendency scale of Rouswelt, Johnson, and Mouro (1986 were used for gathering the data. After taking the pretest, the group cognitive behavioral couple therapy based on the couple therapy model of Baucom  and colleagues (2008 was held in 10 2-hour weekly sessions for the experiment group couples, while the control group couples received no intervention. The data were analyzed through descriptive statistics method and multivariate covariance analysis (MANCOVA in SPSS v.20. Results: The multivariate covariance analysis results for couple burnout (F= 28.80 and divorce tendency (F= 51.25 suggested that there was a significant difference between the couples of experiment and control groups (P< 0

  6. Loosely coupled class families

    DEFF Research Database (Denmark)

    Ernst, Erik

    2001-01-01

    are expressed using virtual classes seem to be very tightly coupled internally. While clients have achieved the freedom to dynamically use one or the other family, it seems that any given family contains a xed set of classes and we will need to create an entire family of its own just in order to replace one...... of the members with another class. This paper shows how to express class families in such a manner that the classes in these families can be used in many dierent combinations, still enabling family polymorphism and ensuring type safety....

  7. LIA longitudinal coupling impedance

    International Nuclear Information System (INIS)

    Faltens, A.

    1980-01-01

    The beam generated fields enter into the problems of waveform generation and longitudinal stability. In the former, provision must be made for the longitudinally defocusing forces due to the space charge and the beam loading effects on the accelerating voltage due to the current of a presumably known bunch. In the latter, the concern is for the growth of unintentional perturbations to unacceptably large values through the interaction of the charge and current fluctuations with the rest of the beam and the surrounding structures. These beam generated electric fields may be related to the beam current through a coupling impedance

  8. Nonminimally coupled hybrid inflation

    International Nuclear Information System (INIS)

    Koh, Seoktae; Minamitsuji, Masato

    2011-01-01

    We discuss the hybrid inflation model where the inflaton field is nonminimally coupled to gravity. In the Jordan frame, the potential contains φ 4 term as well as terms in the original hybrid inflation model. In our model, inflation can be classified into the type (I) and the type (II). In the type (I), inflation is terminated by the tachyonic instability of the waterfall field, while in the type (II) by the violation of slow-roll conditions. In our model, the reheating takes place only at the true minimum and even in the case (II) finally the tachyonic instability occurs after the termination of inflation. For a negative nonminimal coupling, inflation takes place in the vacuum-dominated region, in the large field region, or near the local minimum/maximum. Inflation in the vacuum-dominated region becomes either the type (I) or (II), resulting in a blue or red spectrum of the curvature perturbations, respectively. Inflation around the local maximum can be either the type (I) or the type (II), which results in the red spectrum of the curvature perturbations, while around the local minimum it must be the type (I), which results in the blue spectrum. In the large field region, to terminate inflation, potential in the Einstein frame must be positively tilted, always resulting in the red spectrum. We then numerically solve the equations of motion to investigate the whole dynamics of inflaton and confirm that the spectrum of curvature perturbations changes from red to blue ones as scales become smaller.

  9. Strong Coupling Holography

    CERN Document Server

    Dvali, Gia

    2009-01-01

    We show that whenever a 4-dimensional theory with N particle species emerges as a consistent low energy description of a 3-brane embedded in an asymptotically-flat (4+d)-dimensional space, the holographic scale of high-dimensional gravity sets the strong coupling scale of the 4D theory. This connection persists in the limit in which gravity can be consistently decoupled. We demonstrate this effect for orbifold planes, as well as for the solitonic branes and string theoretic D-branes. In all cases the emergence of a 4D strong coupling scale from bulk holography is a persistent phenomenon. The effect turns out to be insensitive even to such extreme deformations of the brane action that seemingly shield 4D theory from the bulk gravity effects. A well understood example of such deformation is given by large 4D Einstein term in the 3-brane action, which is known to suppress the strength of 5D gravity at short distances and change the 5D Newton's law into the four-dimensional one. Nevertheless, we observe that the ...

  10. How couples choose vasectomy.

    Science.gov (United States)

    Schehl, M

    1997-01-01

    A study conducted by AVSC International between 1992 and 1995 found that couples around the world go through a highly similar decision-making process when they choose vasectomy as their family planning methods. Study findings are based upon in-depth, qualitative interviews with couples using vasectomy in Bangladesh, Mexico, Kenya, and Rwanda, where the prevalence of vasectomy is relatively low, and Sri Lanka and the US, where it is relatively high. 218 separate interviews were conducted with male and female partners. Concerns about the woman's health were cited by respondents in each country as reasons to cease childbearing and to opt for vasectomy as the means to achieving that end. Also, almost all respondents mentioned varying degrees of financial hardship as contributing to their decision to end childbearing. These findings highlight the concept of partnership in relationships and family planning decision-making, and demonstrate the importance of going beyond traditional stereotypes about gender roles in decision-making. Social influences and the potential risks of using other forms of contraception also contributed to the choice of using vasectomy. The decision-making process and lessons learned are discussed.

  11. Magnetically Coupled Calorimeters

    Science.gov (United States)

    Bandler, Simon

    2011-01-01

    Calorimeters that utilize the temperature sensitivity of magnetism have been under development for over 20 years. They have targeted a variety of different applications that require very high resolution spectroscopy. I will describe the properties of this sensor technology that distinguish it from other low temperature detectors and emphasize the types of application to which they appear best suited. I will review what has been learned so far about the best materials, geometries, and read-out amplifiers and our understanding of the measured performance and theoretical limits. I will introduce some of the applications where magnetic calorimeters are being used and also where they are in development for future experiments. So far, most magnetic calorimeter research has concentrated on the use of paramagnets to provide temperature sensitivity; recent studies have also focused on magnetically coupled calorimeters that utilize the diamagnetic response of superconductors. I will present some of the highlights of this research, and contrast the properties of the two magnetically coupled calorimeter types.

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

    Science.gov (United States)

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

    2008-01-01

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

  13. H-ferrierite zeolite: As an effective and reusable heterogeneous catalyst for synthesis of 1,5-benzothiazepine under solvent free condition and 1,3-dipolar cycloaddition in water

    Directory of Open Access Journals (Sweden)

    Thoraya A. Farghaly

    2017-05-01

    Full Text Available An efficient synthesis of new derivatives of 1,5-benzothiazepine has been developed by the reaction of various chalcones (1,3-diaryl-2-propenones with 2-amino-thiophenol in the presence of H-ferrierite zeolite as acidic catalyst without solvent. In addition, 1,3-dipolar cycloaddition of hydrazonoyl chlorides on CN bond of 1,5-benzothiazepines in water in the presence of Na2CO3/THAC as a base catalyst afforded 1,2,4-triazolo[3,4-d][1,5]benzothiazepines. The structure of all the newly synthesized compounds was established on the basis of spectral data (Mass, IR, 1H NMR, 13C NMR and elemental analysis.

  14. Water as a solute in aprotic dipolar solvents. 2. D2O-H2O solute isotope effects on the enthalpy of water dissolution in nitromethane, acetonitrile and propylene carbonate at 298.15 K

    International Nuclear Information System (INIS)

    Ivanov, Evgeniy V.; Smirnov, Valeriy I.

    2010-01-01

    The enthalpies of solution of ordinary (H 2 O) and heavy (D 2 O) water in nitromethane (NM), acetonitrile (ACN) and propylene carbonate (PC) were measured calorimetrically at 298.15 K. Standard (at the infinite dilution) enthalpies of solution and solvation, along with D 2 O-H 2 O solute isotope effects on the quantities in question, were calculated. The enthalpies of solution of water H/D isotopologues were found to be positive by sign and substantially increasing in magnitude on going from ACN and PC to NM, whereas the corresponding positive solute H/D isotope effect changes in a consequence: NM > ACN > PC. The qualitative interrelations between the enthalpy-isotopic effect of dissolution (solvation) of water and the electron-accepting/donating ability of aprotic dipolar solvent (within a series considered) were found.

  15. Extensive theoretical study on the excited states of the PCl+ molecule including spin-orbit coupling

    Science.gov (United States)

    Zhang, Xiaomei; Zhai, Hongsheng; Liu, Siyuan; Liu, Yufang

    2017-07-01

    The entire 23 Λ-S states of the PCl+ molecule have been studied by using the high-level relativistic MRCI+Q method with full-electron aug-cc-pCVQZ-DK basis set. The potential energy curves(PECs) and wavefunctions of the states have been calculated. From the PECs, the spectroscopic constants of the bound states are also determined, and the good agreements could be found with the experiments. The high density region of states exhibits many PECs' crossings, which lead to complicated interaction of the states. Here, the interactions arising from the dipolar interaction and spin-orbit coupling (SOC) effect have been discussed in detail. Under the influence of the SOC effect, the A2Π state is perturbed by the 14Σ- state. Considering the SOC effect, total 45 Ω states are generated from the original 23 Λ-S states. The transition properties are also predicted, including the transition dipole moments, Franck-Condon factors, and radiative lifetimes. The lifetimes of the transitions A2Π1/2-X2Π1/2 and A2Π3/2-X2Π3/2 are determined to be 478.9 ns and 487.0 ns(v'=0), respectively.

  16. Acid epimerization of 20-keto pregnane glycosides is determined by 2D-NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Victor P., E-mail: vpergarw@gobiernodecanarias.org [Instituto de Productos Naturales de Canarias, Departamento de Quimica de Productos Naturales y Biotecnologia (Spain)

    2011-05-15

    Carbohydrates influence many essential biological events such as apoptosis, differentiation, tumor metastasis, cancer, neurobiology, immunology, development, host-pathogen interactions, diabetes, signal transduction, protein folding, and many other contexts. We now report on the structure determination of pregnane glycosides isolated from the aerial parts of Ceropegia fusca Bolle (Asclepiadaceae). The observation of cicatrizant, vulnerary and cytostatic activities in some humans and animals of Ceropegia fusca Bolle, a species endemic to the Canary Islands, encouraged us to begin a pharmacological study to determine their exact therapeutic properties. High resolution {sup 1}H-NMR spectra of pregnane glycosides very often display well-resolved signals that can be used as starting points in several selective NMR experiments to study scalar (J coupling), and dipolar (NOE) interactions. ROESY is especially suited for molecules such that {omega}{tau}{sub c} {approx} 1, where {tau}{sub c} are the motional correlation times and {omega} is the angular frequency. In these cases the NOE is nearly zero, while the rotating-frame Overhauser effect spectroscopy (ROESY) is always positive and increases monotonically for increasing values of {tau}{sub c}. The ROESY shows dipolar interactions cross peaks even in medium-sized molecules which are helpful in unambiguous assignment of all the interglycosidic linkages. Selective excitation was carried out using a double pulsed-field gradient spin-echo sequence (DPFGSE) in which 180 Degree-Sign Gaussian pulses are sandwiched between sine shaped z-gradients. Scalar interactions were studied by homonuclear DPFGSE-COSY and DPFGSE-TOCSY experiments, while DPFGSE-ROESY was used to monitor the spatial environment of the selectively excited proton. Dipolar interactions between nuclei close in space can be detected by the 1D GROESY experiment, which is a one-dimensional counterpart of the 2D ROESY method. The C-12 and C-17 configurations were

  17. Fluid structure coupling algorithm

    International Nuclear Information System (INIS)

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

    1980-01-01

    A fluid-structure-interaction algorithm has been developed and incorporated into the two-dimensional code PELE-IC. This code combines an Eulerian incompressible fluid algorithm with a Lagrangian finite element shell algorithm and incorporates the treatment of complex free surfaces. The fluid structure and coupling algorithms have been verified by the calculation of solved problems from the literature and from air and steam blowdown experiments. The code has been used to calculate loads and structural response from air blowdown and the oscillatory condensation of steam bubbles in water suppression pools typical of boiling water reactors. The techniques developed have been extended to three dimensions and implemented in the computer code PELE-3D

  18. COUPLED CHEMOTAXIS FLUID MODEL

    KAUST Repository

    LORZ, ALEXANDER

    2010-06-01

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

  19. Coupled wave sensor technology

    International Nuclear Information System (INIS)

    Maki, M.C.

    1988-01-01

    Buried line guided radar sensors have been used successfully for a number of years to provide perimeter security for high value resources. This paper introduces a new complementary sensor advancement at Computing Devices termed 'coupled wave device technology' (CWD). It provides many of the inherent advantages of leakey cable sensors, such as terrain-following and the ability to discriminate between humans and small animals. It also is able to provide a high or wide detection zone, and allows the sensor to be mounted aerially and adjacent to a wall or fence. Several alternative sensors have been developed which include a single-line sensor, a dual-line hybrid sensor that combines the elements of ported coax and CWD technology, and a rapid-deployment portable sensor for temporary or mobile applications. A description of the technology, the sensors, and their characteristics is provided

  20. Structural Coupling and Translation

    DEFF Research Database (Denmark)

    Tække, Jesper

    formations. After presenting the two theories the article put forward Twitter as an example making it possible to compare the two theories. Hereby the article also provides two analysis of how Twitter changes the communication milieu of modern society. In systems theory media can be seen as the mechanisms...... and translations the social medium of Twitter opens for. The second, but most prioritized, aim of the paper is to present, compare and discuss the two theories: How do they understand what becomes visible in their different optics, which observations become possible in the one or the other – and is it possible...... creating networks consisting in both humans and non-humans. Then the two appearing frameworks are used to observe Twitter and discuss which structural couplings and translations are made possible by this medium. In the end of the paper the two theories are discussed and compared....

  1. Gay and lesbian couples in Italy: comparisons with heterosexual couples.

    Science.gov (United States)

    Antonelli, Paolo; Dèttore, Davide; Lasagni, Irene; Snyder, Douglas K; Balderrama-Durbin, Christina

    2014-12-01

    Assessing couple relationships across diverse languages and cultures has important implications for both clinical intervention and prevention. This is especially true for nontraditional relationships potentially subject to various expressions of negative societal evaluation or bias. Few empirically validated measures of relationship functioning have been developed for cross-cultural applications, and none have been examined for their psychometric sufficiency for evaluating same-sex couples across different languages and cultures. The current study examined the psychometric properties of an Italian translation of the Marital Satisfaction Inventory - Revised (MSI-R), a 150-item 13-scale measure of couple relationship functioning, for its use in assessing the intimate relationships of gay and lesbian couples in Italy. Results for these couples were compared to data from heterosexual married and unmarried cohabiting couples from the same geographical region, as well as to previously published data for gay, lesbian, and unmarried heterosexual couples from the United States. Findings suggest that, despite unique societal pressures confronting Italian same-sex couples, these relationships appear resilient and fare well both overall and in specific domains of functioning compared to heterosexual couples both in Italy and the United States. © 2014 Family Process Institute.

  2. Avoiding bias effects in NMR experiments for heteronuclear dipole-dipole coupling determinations: principles and application to organic semiconductor materials.

    Science.gov (United States)

    Kurz, Ricardo; Cobo, Marcio Fernando; de Azevedo, Eduardo Ribeiro; Sommer, Michael; Wicklein, André; Thelakkat, Mukundan; Hempel, Günter; Saalwächter, Kay

    2013-09-16

    Carbon-proton dipole-dipole couplings between bonded atoms represent a popular probe of molecular dynamics in soft materials or biomolecules. Their site-resolved determination, for example, by using the popular DIPSHIFT experiment, can be challenged by spectral overlap with nonbonded carbon atoms. The problem can be solved by using very short cross-polarization (CP) contact times, however, the measured modulation curves then deviate strongly from the theoretically predicted shape, which is caused by the dependence of the CP efficiency on the orientation of the CH vector, leading to an anisotropic magnetization distribution even for isotropic samples. Herein, we present a detailed demonstration and explanation of this problem, as well as providing a solution. We combine DIPSHIFT experiments with the rotor-directed exchange of orientations (RODEO) method, and modifications of it, to redistribute the magnetization and obtain undistorted modulation curves. Our strategy is general in that it can also be applied to other types of experiments for heteronuclear dipole-dipole coupling determinations that rely on dipolar polarization transfer. It is demonstrated with perylene-bisimide-based organic semiconductor materials, as an example, in which measurements of dynamic order parameters reveal correlations of the molecular dynamics with the phase structure and functional properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Synchronizability of coupled PWL maps

    International Nuclear Information System (INIS)

    Polynikis, A.; Di Bernardo, M.; Hogan, S.J.

    2009-01-01

    In this paper we discuss the phenomenon of synchronization of chaotic systems in the case of coupled piecewise linear (PWL) continuous and discontinuous one-dimensional maps. We present numerical results for two examples of coupled systems consisting of two PWL maps. We illustrate how the coupled system can achieve synchronization and discuss the nature of the bifurcation that occurs at a critical value of the coupling strength. We then determine this critical coupling using linear stability analysis. We discuss the effects of variation of the parameters of the PWL maps on the critical coupling and present different bifurcation scenarios obtained for different sets of values of these parameters. Finally, we discuss an extension of our work to the synchronizability of networks consisting of two or more PWL maps. We show how the synchronizability of a network of PWL maps can be improved by tuning the map parameters.

  4. ESPC Coupled Global Prediction System

    Science.gov (United States)

    2015-09-30

    through an improvement to the sea ice albedo . Fig. 3: 2-m Temperature bias (deg C) of 120-h forecasts for the month of May 2014 for the Arctic...forecast system (NAVGEM) and ocean- sea ice forecast system (HYCOM/CICE) have never been coupled at high resolution. The coupled processes will be...winds and currents across the interface. The sea - ice component of this project requires modification of CICE versions 4 and 5 to run in the coupled

  5. Cosmological tests of coupled Galileons

    International Nuclear Information System (INIS)

    Brax, Philippe; Burrage, Clare; Davis, Anne-Christine; Gubitosi, Giulia

    2015-01-01

    We investigate the cosmological properties of Galileon models which admit Minkowski space as a stable solution in vacuum. This is motivated by stable, positive tension brane world constructions that give rise to Galileons. We include both conformal and disformal couplings to matter and focus on constraints on the theory that arise because of these couplings. The disformal coupling to baryonic matter is extremely constrained by astrophysical and particle physics effects. The disformal coupling to photons induces a cosmological variation of the speed of light and therefore distorsions of the Cosmic Microwave Background spectrum which are known to be very small. The conformal coupling to baryons leads to a variation of particle masses since Big Bang Nucleosynthesis which is also tightly constrained. We consider the background cosmology of Galileon models coupled to Cold Dark Matter (CDM), photons and baryons and impose that the speed of light and particle masses respect the observational bounds on cosmological time scales. We find that requiring that the equation of state for the Galileon models must be close to -1 now restricts severely their parameter space and can only be achieved with a combination of the conformal and disformal couplings. This leads to large variations of particle masses and the speed of light which are not compatible with observations. As a result, we find that cosmological Galileon models are viable dark energy theories coupled to dark matter but their couplings, both disformal and conformal, to baryons and photons must be heavily suppressed making them only sensitive to CDM

  6. Instabilities in strongly coupled plasmas

    CERN Document Server

    Kalman, G J

    2003-01-01

    The conventional Vlasov treatment of beam-plasma instabilities is inappropriate when the plasma is strongly coupled. In the strongly coupled liquid state, the strong correlations between the dust grains fundamentally affect the conditions for instability. In the crystalline state, the inherent anisotropy couples the longitudinal and transverse polarizations, and results in unstable excitations in both polarizations. We summarize analyses of resonant and non-resonant, as well as resistive instabilities. We consider both ion-dust streaming and dust beam-plasma instabilities. Strong coupling, in general, leads to an enhancement of the growth rates. In the crystalline phase, a resonant transverse instability can be excited.

  7. Spin reorientation via antiferromagnetic coupling

    Energy Technology Data Exchange (ETDEWEB)

    Ranjbar, M., E-mail: mojtaba.ranjbar@physics.gu.se [Data Storage Institute, A-STAR (Agency for Science, Technology and Research), 5, Engineering Drive 1, Singapore 117608 (Singapore); Department of Physics, University of Gothenburg, 412 96 Gothenburg (Sweden); Sbiaa, R. [Data Storage Institute, A-STAR (Agency for Science, Technology and Research), 5, Engineering Drive 1, Singapore 117608 (Singapore); Department of Physics, Sultan Qaboos University, P.O. Box 36, PC 123, Muscat (Oman); Dumas, R. K. [Department of Physics, University of Gothenburg, 412 96 Gothenburg (Sweden); Åkerman, J. [Department of Physics, University of Gothenburg, 412 96 Gothenburg (Sweden); Materials Physics, School of ICT, Royal Institute of Technology (KTH), 164 40 Kista (Sweden); Piramanayagam, S. N. [Data Storage Institute, A-STAR (Agency for Science, Technology and Research), 5, Engineering Drive 1, Singapore 117608 (Singapore)

    2014-05-07

    Spin reorientation in antiferromagnetically coupled (AFC) Co/Pd multilayers, wherein the thickness of the constituent Co layers was varied, was studied. AFC-Co/Pd multilayers were observed to have perpendicular magnetic anisotropy even for a Co sublayer thickness of 1 nm, much larger than what is usually observed in systems without antiferromagnetic coupling. When similar multilayer structures were prepared without antiferromagnetic coupling, this effect was not observed. The results indicate that the additional anisotropy energy contribution arising from the antiferromagnetic coupling, which is estimated to be around 6 × 10{sup 6} ergs/cm{sup 3}, induces the spin-reorientation.

  8. Performance assessment of coupled processes

    International Nuclear Information System (INIS)

    Pigford, T.H.

    1987-01-01

    The author considers all processes to be coupled. For example, a waste package heats the surrounding rock and its pore water, creating gradients in density and pressure that result in increased water flow. That process can be described as coupled, in that the flow is a consequence of heating. In a narrower sense, one speaks also of the more weakly coupled transport processes, expressed by the Onsager reciprocal relations, that state that a transport current, i.e., flux, of heat is accompanied by a small transport current of material, as evidenced in isotope separation by thermal diffusion, the Thompson effect in thermoelectricity, etc. This paper presents a performance assessment of coupled processes

  9. Stirring Strongly Coupled Plasma

    CERN Document Server

    Fadafan, Kazem Bitaghsir; Rajagopal, Krishna; Wiedemann, Urs Achim

    2009-01-01

    We determine the energy it takes to move a test quark along a circle of radius L with angular frequency w through the strongly coupled plasma of N=4 supersymmetric Yang-Mills (SYM) theory. We find that for most values of L and w the energy deposited by stirring the plasma in this way is governed either by the drag force acting on a test quark moving through the plasma in a straight line with speed v=Lw or by the energy radiated by a quark in circular motion in the absence of any plasma, whichever is larger. There is a continuous crossover from the drag-dominated regime to the radiation-dominated regime. In the crossover regime we find evidence for significant destructive interference between energy loss due to drag and that due to radiation as if in vacuum. The rotating quark thus serves as a model system in which the relative strength of, and interplay between, two different mechanisms of parton energy loss is accessible via a controlled classical gravity calculation. We close by speculating on the implicati...

  10. Line-narrowing in proton-detected nitrogen-14 NMR

    Science.gov (United States)

    Cavadini, Simone; Vitzthum, Veronika; Ulzega, Simone; Abraham, Anuji; Bodenhausen, Geoffrey

    2010-01-01

    In solids spinning at the magic angle, the indirect detection of single-quantum (SQ) and double-quantum (DQ) 14N spectra ( I = 1) via spy nuclei S = 1/2 such as protons can be achieved in the manner of heteronuclear single- or multiple-quantum correlation (HSQC or HMQC) spectroscopy. The HMQC method relies on the excitation of two-spin coherences of the type T11IT11S and T21IT11S at the beginning of the evolution interval t1. The spectra obtained by Fourier transformation from t1 to ω1 may be broadened by the homogenous decay of the transverse terms of the spy nuclei S. This broadening is mostly due to homonuclear dipolar S- S' interactions between the proton spy nuclei. In this work we have investigated the possibility of inserting rotor-synchronized symmetry-based C or R sequences and decoupling schemes such as Phase-Modulated Lee-Goldburg (PMLG) sequences in the evolution period. These schemes reduce the homonuclear proton-proton interactions and lead to an enhancement of the resolution of both SQ and DQ proton-detected 14N HMQC spectra. In addition, we have investigated the combination of HSQC with symmetry-based sequences and PMLG and shown that the highest resolution in the 14N dimension is achieved by using HSQC in combination with symmetry-based sequences of the R-type. We show improvements in resolution in samples of L-alanine and the tripeptide ala-ala-gly (AAG). In particular, for L-alanine the width of the 14N SQ peak is reduced from 2 to 1.2 kHz, in agreement with simulations. We report accurate measurements of quadrupolar coupling constants and asymmetry parameters for amide 14N in AAG peptide bonds.

  11. Coupling detrended fluctuation analysis for analyzing coupled nonstationary signals

    Science.gov (United States)

    Hedayatifar, L.; Vahabi, M.; Jafari, G. R.

    2011-08-01

    When many variables are coupled to each other, a single case study could not give us thorough and precise information. When these time series are stationary, different methods of random matrix analysis and complex networks can be used. But, in nonstationary cases, the multifractal-detrended-cross-correlation-analysis (MF-DXA) method was introduced for just two coupled time series. In this article, we have extended the MF-DXA to the method of coupling detrended fluctuation analysis (CDFA) for the case when more than two series are correlated to each other. Here, we have calculated the multifractal properties of the coupled time series, and by comparing CDFA results of the original series with those of the shuffled and surrogate series, we can estimate the source of multifractality and the extent to which our series are coupled to each other. We illustrate the method by selected examples from air pollution and foreign exchange rates.

  12. Coupled assimilation for an intermediated coupled ENSO prediction model

    Science.gov (United States)

    Zheng, Fei; Zhu, Jiang

    2010-10-01

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

  13. Belpex and trilateral market coupling

    International Nuclear Information System (INIS)

    2006-01-01

    This document describes the operation of Belpex, the Belgian power transmission spot market, and its linking with the French (Powernext) and Dutch (APX) auction-style day-ahead spot markets. A last part deals with the extension of this trilateral market to other European countries. Content: Belpex day-ahead market (DAM) (Goals of the DAM: Provide consumers with a wider choice of electrical energy sources, Enable the ARP's to optimize their portfolio in terms of imbalance costs, Reduce trade and credit risks for market players compared with the risks involved in concluding bilateral contracts, Provide economic players with a transparent price benchmark, Stimulate the opening of the electricity market); Market model Product (description, Contracts, Collateral calculation, From 12 January to launch date Corporate and Legal Aspects, Next developments); Trilateral Market Coupling (What is market coupling and what are the benefits?, Implementation of trilateral market coupling ('TLC') in France/Belgium/Netherlands, From Trilateral to Multilateral, Implementation of Trilateral Market Coupling (TLC) in France/Belgium/Netherlands, Decentralized market coupling mechanism, influence of import and export on area prices); Decentralized market coupling (2 countries Situations: unconstrained/constrained, Decentralized market coupling: 3 countries, High Level Properties of Market Coupling, Maximize flow until prices across link converge (or ATC limit reached), Power flows from low price area to high price area, Implementing a decentralized technical approach, Market Coupling Daily Process, Impact on Existing Exchange Arrangements, Implementing a decentralized contractual approach, TLC Project Process); From Trilateral to Multilateral (Geographic extensions, Towards an Open and Multilateral Market Coupling, Management of Interconnection Capacities, Interconnection Capacities: current situation, TSO Roles and Responsibilities in the TLC, Other Import/Export products on the

  14. Coupling between minimum scattering antennas

    DEFF Research Database (Denmark)

    Andersen, J.; Lessow, H; Schjær-Jacobsen, Hans

    1974-01-01

    Coupling between minimum scattering antennas (MSA's) is investigated by the coupling theory developed by Wasylkiwskyj and Kahn. Only rotationally symmetric power patterns are considered, and graphs of relative mutual impedance are presented as a function of distance and pattern parameters. Crossed...

  15. Linear analysis of coupled lattices

    Directory of Open Access Journals (Sweden)

    D. Sagan

    1999-07-01

    Full Text Available A formalism for describing the coupled two-dimensional motion of high energy particle beams in a storage ring is developed and extended to circumstances where the coupling is very strong, such as for the Möbius twist accelerator.

  16. Development of Side Coupled Cavities

    International Nuclear Information System (INIS)

    Conto, J.M. de; Carretta, J.M.; Gomez-Martinez, Y.; Micoud, R.

    2008-01-01

    Side coupled Cavities are good candidates for proton accelerations in the 90-180 MeV range, as it has been first proposed for the CERN LINAC4 project. A side coupled Linac is made of a lump chain of resonant cavities, alternatively accelerating and coupling. A side coupled cavity has been designed in a CERN-LPSC collaboration to achieve LINAC4 requirements. After RF studies, a complete thermal study has been done, showing that 10-15% is the absolute maximum duty-cycle achievable by such a cavity. Error studies have been developed. They have shown that a tuning ring is mandatory and that a K equals 3% coupling factor is a good choice. A prototype has been built and each cell has been measured and tuned. A simple and accurate method has been used to get both the resonant frequency and the coupling factor, with a movable tuner and a linear fit. A similar method has been used to get the second order coupling factor. A large dispersion is observed on K. This is mainly due to the shape of the coupling apertures, which are very sensitive to mechanical errors. A future and realistic design must be very careful to guarantee a constant aperture (the important parameter is more the dispersion of k than its exact value). Finally, we analyse how to tune the cavity. This has to checked carefully and probably improved or corrected. Results are expected for mid-2008

  17. Older Couple Relationships and Loneliness

    NARCIS (Netherlands)

    de Jong Gierveld, J.; Broese van Groenou, M.; Bookwala, Jamila

    2016-01-01

    The couple relationship is a major factor in alleviating loneliness. Midlife and older adults without a couple relationship, especially after widowhood or divorce, are at serious risk of loneliness. Outcomes of empirical research, both dating back to the former century (Lopata, 1980, 1996), as well

  18. Slot-Coupled Barbel Antenna

    DEFF Research Database (Denmark)

    Jørgensen, Kasper Lüthje; Jakobsen, Kaj Bjarne

    2016-01-01

    A novel slot-coupled barbel antenna is designed and analyzed. A sensitivity analysis performed in order to improve the bandwidth, while the center frequency is kept constant.......A novel slot-coupled barbel antenna is designed and analyzed. A sensitivity analysis performed in order to improve the bandwidth, while the center frequency is kept constant....

  19. Anisotropic inflation with derivative couplings

    Science.gov (United States)

    Holland, Jonathan; Kanno, Sugumi; Zavala, Ivonne

    2018-05-01

    We study anisotropic power-law inflationary solutions when the inflaton and its derivative couple to a vector field. This type of coupling is motivated by D-brane inflationary models, in which the inflaton, and a vector field living on the D-brane, couple disformally (derivatively). We start by studying a phenomenological model where we show the existence of anisotropic solutions and demonstrate their stability via a dynamical system analysis. Compared to the case without a derivative coupling, the anisotropy is reduced and thus can be made consistent with current limits, while the value of the slow-roll parameter remains almost unchanged. We also discuss solutions for more general cases, including D-brane-like couplings.

  20. Transitions between states of magnetotail–ionosphere coupling and the role of solar wind dynamic pressure: the 25 July 2004 interplanetary CME case

    Directory of Open Access Journals (Sweden)

    P. E. Sandholt

    2015-04-01

    Full Text Available In a case study, we investigate transitions between fundamental magnetosphere–ionosphere (M-I coupling modes during storm-time conditions (SYM-H between −100 and −160 nT driven by an interplanetary coronal mass ejection (ICME. We combine observations from the near tail, at geostationary altitude (GOES-10, and electrojet activities across the auroral oval at postnoon-to-dusk and midnight. After an interval of strong westward electrojet (WEJ activity, a 3 h long state of attenuated/quenched WEJ activity was initiated by abrupt drops in the solar wind density and dynamic pressure. The attenuated substorm activity consisted of brief phases of magnetic field perturbation and electron flux decrease at GOES-10 near midnight and moderately strong conjugate events of WEJ enhancements at the southern boundary of the oval, as well as a series of very strong eastward electrojet (EEJ events at dusk, during a phase of enhanced ring current evolution, i.e., enhanced SYM-H deflection within −120 to −150 nT. Each of these M-I coupling events was preceded by poleward boundary intensifications and auroral streamers at higher oval latitudes. We identify this mode of attenuated substorm activity as being due to a magnetotail state characterized by bursty reconnection and bursty bulk flows/dipolarization fronts (multiple current wedgelets with associated injection dynamo in the near tail, in their braking phase. The latter process is associated with activations of the Bostrøm type II (meridional current system. A transition to the next state of M-I coupling, when a full substorm expansion took place, was triggered by an abrupt increase of the ICME dynamic pressure from 1 to 5 nPa. The brief field deflection events at GOES-10 were then replaced by a 20 min long interval of extreme field stretching (Bz approaching 5 nT and Bx ≈ 100 nT followed by a major dipolarization (Δ Bz ≈ 100 nT. In the ionosphere the latter stage appeared as a "full-size" stepwise

  1. Couple Discord and Depression in Couples during Couple Therapy and in Depressed Individuals during Depression Treatment

    Science.gov (United States)

    Atkins, David C.; Dimidjian, Sona; Bedics, Jamie D.; Christensen, Andrew

    2009-01-01

    The association between depression and relationship distress as well as the impact of treatment for the one on the other was examined across 2 treatment-seeking samples: individuals seeking treatment for depression (N = 120) and couples seeking marital therapy (N = 134 couples). Although there was a baseline association between depression and…

  2. Improved fluid-structure coupling

    International Nuclear Information System (INIS)

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

    1981-01-01

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

  3. Gestural coupling and social cognition

    DEFF Research Database (Denmark)

    Michael, John; Krueger, Joel William

    2012-01-01

    Social cognition researchers have become increasingly interested in the ways that behavioral, physiological, and neural coupling facilitate social interaction and interpersonal understanding. We distinguish two ways of conceptualizing the role of such coupling processes in social cognition: strong...... an essential enabling feature for social interaction and interpersonal understanding more generally and thus ought to exhibit severe deficits in these areas. We challenge SI's prediction and show how MS cases offer compelling reasons for instead adopting MI's pluralistic model of social interaction...... and interpersonal understanding. We conclude that investigations of coupling processes within social interaction should inform rather than marginalize or eliminate investigation of higher-level individual cognition...

  4. Overprotection in couples with aphasia.

    Science.gov (United States)

    Croteau, C; Le Dorze, G

    1999-09-01

    The study aimed to measure the perception of overprotection in 21 couples living with aphasia, relative to controls. The 'Questionnaire on Resources and Stress' assessed the spouses' perception and the 'Overprotection Scale for Adults' measured the perception of persons with aphasia. Husbands of women with aphasia did not differ from husbands of women without aphasia. Wives of men with aphasia reported more overprotection than wives of men without aphasia, even when functional impairment was controlled. The men with aphasia did not report feeling overprotected. No significant relationship was uncovered between the report of overprotection and feeling overprotected in couples with aphasia. Overprotection is present in some couples coping with aphasia.

  5. Anomalous couplings at LEP2

    International Nuclear Information System (INIS)

    Fayolle, D.

    2002-01-01

    In its second phase, LEP has allowed to study four fermion processes never observed before. Results are presented on the charged triple gauge boson couplings (TGC) from the W-pair, Single W and Single γ production. The anomalous quartic gauge couplings (QGC) are constrained using production of WWγ, νν-barγγ and Z γγ final states. Finally, limits on the neutral anomalous gauge couplings (NGC) using the Z γ and ZZ production processes are also reported. All results are consistent with the Standard Model expectations. (authors)

  6. RFDR with Adiabatic Inversion Pulses: Application to Internuclear Distance Measurements

    International Nuclear Information System (INIS)

    Leppert, Joerg; Ohlenschlaeger, Oliver; Goerlach, Matthias; Ramachandran, Ramadurai

    2004-01-01

    In the context of the structural characterisation of biomolecular systems via MAS solid state NMR, the potential utility of homonuclear dipolar recoupling with adiabatic inversion pulses has been assessed via numerical simulations and experimental measurements. The results obtained suggest that it is possible to obtain reliable estimates of internuclear distances via an analysis of the initial cross-peak intensity buildup curves generated from two-dimensional adiabatic inversion pulse driven longitudinal magnetisation exchange experiments

  7. Spatial coupling in heterogeneous catalysis

    Science.gov (United States)

    Yamamoto, S. Y.; Surko, C. M.; Maple, M. B.

    1995-11-01

    Spatial coupling mechanisms are studied in the heterogeneous catalytic oxidation of carbon monoxide over platinum at atmospheric pressure under oscillatory conditions. Experiments are conducted in a continuous flow reactor, and the reaction rate is monitored using both infrared imaging and thermocouples. The catalysts are in the form of platinum annular thin films on washer-shaped quartz substrates, and they provide highly repeatable oscillatory behavior. Oscillations are typically spatially synchronized with the entire catalyst ``flashing'' on and off uniformly. Spatial coupling is investigated by introducing various barriers which split the annular ring in half. Infrared images show that coupling through the gas phase dominates coupling via the diffusion of CO on the surface or heat diffusion through the substrate. The introduction of a localized heat perturbation to the catalyst surface does not induce a transition in the reaction rate. Thus, it is likely that the primary mode of communication is through the gas-phase diffusion of reactants.

  8. Heterogeneous Dynamics of Coupled Vibrations

    NARCIS (Netherlands)

    Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E

    2009-01-01

    Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.

  9. Coupling spin qubits via superconductors

    DEFF Research Database (Denmark)

    Leijnse, Martin; Flensberg, Karsten

    2013-01-01

    We show how superconductors can be used to couple, initialize, and read out spatially separated spin qubits. When two single-electron quantum dots are tunnel coupled to the same superconductor, the singlet component of the two-electron state partially leaks into the superconductor via crossed...... Andreev reflection. This induces a gate-controlled singlet-triplet splitting which, with an appropriate superconductor geometry, remains large for dot separations within the superconducting coherence length. Furthermore, we show that when two double-dot singlet-triplet qubits are tunnel coupled...... to a superconductor with finite charging energy, crossed Andreev reflection enables a strong two-qubit coupling over distances much larger than the coherence length....

  10. Cognitive-behavioral couple therapy.

    Science.gov (United States)

    Epstein, Norman B; Zheng, Le

    2017-02-01

    This article describes how cognitive-behavioral couple therapy (CBCT) provides a good fit for intervening with a range of stressors that couples experience from within and outside their relationship. It takes an ecological perspective in which a couple is influenced by multiple systemic levels. We provide an overview of assessment and intervention strategies used to modify negative behavioral interaction patterns, inappropriate or distorted cognitions, and problems with the experience and regulation of emotions. Next, we describe how CBCT can assist couples in coping with stressors involving (a) a partner's psychological disorder (e.g. depression), (b) physical health problems (e.g. cancer), (c) external stressors (e.g. financial strain), and (d) severe relational problems (e.g. partner aggression). Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Common mode and coupled failure

    International Nuclear Information System (INIS)

    Taylor, J.R.

    1975-10-01

    Based on examples and data from Abnormal Occurence Reports for nuclear reactors, a classification of common mode or coupled failures is given, and some simple statistical models are investigated. (author)

  12. Evaluation of Coupled Precipitator Two

    International Nuclear Information System (INIS)

    Stone, M.E.

    1999-01-01

    The offline testing of the Coupled Precipitator Two (CP-2) has been completed. The tests were conducted and are documented. The tests were conducted at an offline test rack near the Drain Tube Test Stand facility in 672-T

  13. Belpex and trilateral market coupling

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-01-15

    This document describes the operation of Belpex, the Belgian power transmission spot market, and its linking with the French (Powernext) and Dutch (APX) auction-style day-ahead spot markets. A last part deals with the extension of this trilateral market to other European countries. Content: Belpex day-ahead market (DAM) (Goals of the DAM: Provide consumers with a wider choice of electrical energy sources, Enable the ARP's to optimize their portfolio in terms of imbalance costs, Reduce trade and credit risks for market players compared with the risks involved in concluding bilateral contracts, Provide economic players with a transparent price benchmark, Stimulate the opening of the electricity market); Market model Product (description, Contracts, Collateral calculation, From 12 January to launch date Corporate and Legal Aspects, Next developments); Trilateral Market Coupling (What is market coupling and what are the benefits?, Implementation of trilateral market coupling ('TLC') in France/Belgium/Netherlands, From Trilateral to Multilateral, Implementation of Trilateral Market Coupling (TLC) in France/Belgium/Netherlands, Decentralized market coupling mechanism, influence of import and export on area prices); Decentralized market coupling (2 countries Situations: unconstrained/constrained, Decentralized market coupling: 3 countries, High Level Properties of Market Coupling, Maximize flow until prices across link converge (or ATC limit reached), Power flows from low price area to high price area, Implementing a decentralized technical approach, Market Coupling Daily Process, Impact on Existing Exchange Arrangements, Implementing a decentralized contractual approach, TLC Project Process); From Trilateral to Multilateral (Geographic extensions, Towards an Open and Multilateral Market Coupling, Management of Interconnection Capacities, Interconnection Capacities: current situation, TSO Roles and Responsibilities in the TLC, Other Import/Export products

  14. Lens Coupled Quantum Cascade Laser

    Science.gov (United States)

    Hu, Qing (Inventor); Lee, Alan Wei Min (Inventor)

    2013-01-01

    Terahertz quantum cascade (QC) devices are disclosed that can operate, e.g., in a range of about 1 THz to about 10 THz. In some embodiments, QC lasers are disclosed in which an optical element (e.g., a lens) is coupled to an output facet of the laser's active region to enhance coupling of the lasing radiation from the active region to an external environment. In other embodiments, terahertz amplifier and tunable terahertz QC lasers are disclosed.

  15. Marital Dissolution Among Interracial Couples

    OpenAIRE

    Zhang, Yuanting; Van Hook, Jennifer

    2009-01-01

    Increases in interracial marriage have been interpreted as reflecting reduced social distance among racial and ethnic groups, but little is known about the stability of interracial marriages. Using six panels of Survey of Income and Program Participation (N = 23,139 married couples), we found that interracial marriages are less stable than endogamous marriages, but these findings did not hold up consistently. After controlling for couple characteristics, the risk of divorce or separation amon...

  16. Coupled Acoustic-Mechanical Bandgaps

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Kook, Junghwan

    2016-01-01

    medium and the presence of acoustic resonances. It is demonstrated that corrugation of the plate structure can introduce bending wave bandgaps and bandgaps in the acoustic domain in overlapping and audible frequency ranges. This effect is preserved also when taking the physical coupling between the two...... domains into account. Additionally, the coupling is shown to introduce extra gaps in the band structure due to modal interaction and the appearance of a cut-on frequency for the fundamental acoustic mode....

  17. Development of annular coupled structure

    International Nuclear Information System (INIS)

    Kageyama, T.; Morozumi, Y.; Yoshino, K.; Yamazaki, Y.

    1992-01-01

    A π/2-mode standing-wave linac of an Annular Coupled Structure (ACS) has been developed for the 1-GeV proton linac of the Japanese Hadron Project (JHP). This ACS has four coupling slots between accelerating and coupling cells in order to overcome difficulties in putting the ACS to practical use. Two prototypes of a four-slot ACS (f = 1296 MHz, β = v/c = 0.8) have been constructed and tested: one with a staggered slot-orientation from cell to cell; and the other with a uniform one. The staggered configuration gives a larger coupling constant and a larger shunt impedance than the uniform one with the same size of coupling slot. Both models have been conditioned up to the design input RF power. The four-slot ACS gives a distortion-free accelerating field around the beam axis, while a Side-Coupled Structure cavity gives an accelerating field mixed with a TE111-like mode. (Author) 7 figs., 2 tabs., 9 refs

  18. Lower Hybrid Drift Waves and Electromagnetic Electron Space-Phase Holes Associated With Dipolarization Fronts and Field-Aligned Currents Observed by the Magnetospheric Multiscale Mission During a Substorm

    Science.gov (United States)

    Le Contel, O.; Nakamura, R.; Breuillard, H.; Argall, M. R.; Graham, D. B.; Fischer, D.; Retinò, A.; Berthomier, M.; Pottelette, R.; Mirioni, L.; Chust, T.; Wilder, F. D.; Gershman, D. J.; Varsani, A.; Lindqvist, P.-A.; Khotyaintsev, Yu. V.; Norgren, C.; Ergun, R. E.; Goodrich, K. A.; Burch, J. L.; Torbert, R. B.; Needell, J.; Chutter, M.; Rau, D.; Dors, I.; Russell, C. T.; Magnes, W.; Strangeway, R. J.; Bromund, K. R.; Wei, H. Y.; Plaschke, F.; Anderson, B. J.; Le, G.; Moore, T. E.; Giles, B. L.; Paterson, W. R.; Pollock, C. J.; Dorelli, J. C.; Avanov, L. A.; Saito, Y.; Lavraud, B.; Fuselier, S. A.; Mauk, B. H.; Cohen, I. J.; Turner, D. L.; Fennell, J. F.; Leonard, T.; Jaynes, A. N.

    2017-12-01

    We analyze two ion scale dipolarization fronts associated with field-aligned currents detected by the Magnetospheric Multiscale mission during a large substorm on 10 August 2016. The first event corresponds to a fast dawnward flow with an antiparallel current and could be generated by the wake of a previous fast earthward flow. It is associated with intense lower hybrid drift waves detected at the front and propagating dawnward with a perpendicular phase speed close to the electric drift and the ion thermal velocity. The second event corresponds to a flow reversal: from southwward/dawnward to northward/duskward associated with a parallel current consistent with a brief expansion of the plasma sheet before the front crossing and with a smaller lower hybrid drift wave activity. Electromagnetic electron phase-space holes are detected near these low-frequency drift waves during both events. The drift waves could accelerate electrons parallel to the magnetic field and produce the parallel electron drift needed to generate the electron holes. Yet we cannot rule out the possibility that the drift waves are produced by the antiparallel current associated with the fast flows, leaving the source for the electron holes unexplained.

  19. Biosynthetically directed fractional 13C labeling facilitates identification of Phe and Tyr aromatic signals in proteins

    International Nuclear Information System (INIS)

    Jacob, Jaison; Louis, John M.; Nesheiwat, Issa; Torchia, Dennis A.

    2002-01-01

    Analysis of 2D [ 13 C, 1 H]-HSQC spectra of biosynthetic fractionally 13 C labeled proteins is a reliable, straightforward means to obtain stereospecific assignments of Val and Leu methyl sites in proteins. Herein we show that the same fractionally labeled protein sample facilitates observation and identification of Phe and Tyr aromatic signals. This is the case, in part, because the fractional 13 C labeling yields aromatic rings in which some of the 13 C- 13 C J-couplings, present in uniformly labeled samples, are absent. Also, the number of homonuclear J-coupling partners differs for the δ-, ε- and ζ-carbons. This enabled us to vary their signal intensities in distinctly different ways by appropriately setting the 13 C constant-time period in 2D [ 13 C, 1 H]-HSQC spectra. We illustrate the application of this approach to an 18 kDa protein, c-VIAF, a modulator of apoptosis. In addition, we show that cancellation of the aromatic 13 C CSA and 13 C- 1 H dipolar interactions can be fruitfully utilized in the case of the fractionally labeled sample to obtain high resolution 13 C constant-time spectra with good sensitivity

  20. Communication and Contraceptive Practices in Adolescent Couples.

    Science.gov (United States)

    Polit-O'Hara, Denise; Kahn, Janet R.

    1985-01-01

    Presents a descriptive analysis of couple communication among stable, sexually active adolescent couples (N=83) and the effect of communication on actual contraceptive practices. Results showed couples with good communication were more likely to practice effective contraception. (BH)

  1. Vibronic coupling density and related concepts

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  2. Aerodynamic excitation and sound production of blown-closed free reeds without acoustic coupling: The example of the accordion reed

    Science.gov (United States)

    Ricot, Denis; Caussé, René; Misdariis, Nicolas

    2005-04-01

    The accordion reed is an example of a blown-closed free reed. Unlike most oscillating valves in wind musical instruments, self-sustained oscillations occur without acoustic coupling. Flow visualizations and measurements in water show that the flow can be supposed incompressible and potential. A model is developed and the solution is calculated in the time domain. The excitation force is found to be associated with the inertial load of the unsteady flow through the reed gaps. Inertial effect leads to velocity fluctuations in the reed opening and then to an unsteady Bernoulli force. A pressure component generated by the local reciprocal air movement around the reed is added to the modeled aerodynamic excitation pressure. Since the model is two-dimensional, only qualitative comparisons with air flow measurements are possible. The agreement between the simulated pressure waveforms and measured pressure in the very near-field of the reed is reasonable. In addition, an aeroacoustic model using the permeable Ffowcs Williams-Hawkings integral method is presented. The integral expressions of the far-field acoustic pressure are also computed in the time domain. In agreement with experimental data, the sound is found to be dominated by the dipolar source associated by the strong momentum fluctuations of the flow through the reed gaps. .

  3. Center vortices at strong couplings and all couplings

    International Nuclear Information System (INIS)

    Greensite, J.

    2001-01-01

    Motivations for the center vortex theory of confinement are discussed. In particular, it is noted that the abelian dual Meissner effect, which is the signature of dual superconductivity, cannot adequately describe the confining force at large distance scales. A long-range effective action is derived from strong-coupling lattice gauge theory in D=3 dimensions, and it is shown that center vortices emerge as the stable saddlepoints of this action. Thus, in the case of strong couplings, the vortex picture is arrived at analytically. I also respond briefly to a recent criticism regarding maximal center gauge. (author)

  4. Miscarriage experiences of lesbian couples.

    Science.gov (United States)

    Wojnar, Danuta

    2007-01-01

    This was a descriptive phenomenological study of 10 self-identified lesbian couples who had experienced miscarriage in the context of a committed relationship. Analysis of individual and joint open-ended interviews revealed that the experience of miscarriage for lesbian couples must be viewed from the perspective of the difficulties surrounding conception as well as the actual pregnancy loss. The overarching theme, "We are not in control," captures the struggles lesbian couples faced in conceiving their pregnancies and the sense of loss that accompanied miscarrying. These experiences constituted two sub-themes: "We work so hard to get a baby" and "It hurts so bad: The sorrow of miscarriage." Our results indicate that the experience of miscarriage is compounded by the complexities of planning and achieving pregnancy. Practitioners need to be aware of the unique perspectives lesbian couples have on pregnancy and miscarriage and remain sensitive to their unique needs. Findings may serve as an intervention framework for nurse midwives and others caring for lesbian couples after miscarriage.

  5. Systemic couple therapy for dysthymia.

    Science.gov (United States)

    Montesano, Adrián; Feixas, Guillem; Muñoz, Dámaris; Compañ, Victoria

    2014-03-01

    We examined the effect of Systemic Couple Therapy on a patient diagnosed with dysthymic disorder and her partner. Marge and Peter, a middle-aged married couple, showed significant and meaningful changes in their pattern of interaction over the course of the therapy and, by the end of it, Marge no longer met the diagnostic criteria for dysthymic disorder. Her scores on the Structured Clinical Interview for DSM-IV Axis I Disorders (SCID-I) and Beck Depression Inventory, Second Edition (BDI-II) were in the clinical range before treatment and in the nonclinical one at the end of therapy. Although scores on Dyadic Adjustment Scale showed different patterns, both members reported significant improvement. The analysis of change in the alliance-related behaviors throughout the process concurred with change in couple's pattern of interaction. Treatment effects were maintained at 12-month follow-up. Highlights in the therapy process showed the importance of relational mechanisms of change, such as broadening the therapeutic focus into the couple's pattern of interaction, reducing expressed emotion and resentment, as well as increasing positive exchanges. The results of this evidence-based case study should prompt further investigation of couple therapy for dysthymia disorder. Randomized clinical trial design is needed to reach an evidence-based treatment status. (c) 2014 APA, all rights reserved.

  6. Matter couplings in supergravity theories

    International Nuclear Information System (INIS)

    Bagger, J.A.

    1983-01-01

    The N = 1 supersymmetric nonlinear sigma model is coupled to supergravity. The results are expressed in the language of Kahler geometry. Topological considerations constrain the scalar fields to lie on a Kahler manifold of restricted type, or a Hodge manifold. For topologically nontrivial manifolds, this leads to the quantization of Newton's constant in terms of the scalar self-coupling. The isometries of the N = 1 model are gauged. This gives a geometrical picture of what might be called the gauge invariant supersymmetric nonlinear sigma model. It also provides a new interpretation of the Fayet-Iliopoulos D-term. The gauge invariant supersymmetric nonlinear sigma model is coupled to N = 1 supergravity. This leads to a deeper understanding of the connections between supergravity, R-invariance and the Fayet-Iliopoulos D-term. It also provides a foundation for phenomenological studies of supergravity theories. Finally, the N = 2 supersymmetric nonlinear sigma model is coupled to supergravity. The scalar fields are found to lie on a negatively curved quaternionic manifold. This implies that matter self-couplings that are allowed in N = 2 supersymmetry are forbidden in N = 2 supergravity, and vice versa

  7. String dynamics at strong coupling

    International Nuclear Information System (INIS)

    Hull, C.M.

    1996-01-01

    The dynamics of superstring, supergravity and M-theories and their compactifications are probed by studying the various perturbation theories that emerge in the strong and weak-coupling limits for various directions in coupling constant space. The results support the picture of an underlying non-perturbative theory that, when expanded perturbatively in different coupling constants, gives different perturbation theories, which can be perturbative superstring theories or superparticle theories. The p-brane spectrum is considered in detail and a criterion found to establish which p-branes govern the strong-coupling dynamics. In many cases there are competing conjectures in the literature, and this analysis decides between them. In other cases, new results are found. The chiral 6-dimensional theory resulting from compactifying the type IIB string on K 3 is studied in detail and it is found that certain strong-coupling limits appear to give new theories, some of which hint at the possibility of a 12-dimensional origin. (orig.)

  8. Trilateral market coupling. Algorithm appendix

    International Nuclear Information System (INIS)

    2006-03-01

    Market Coupling is both a mechanism for matching orders on the exchange and an implicit cross-border capacity allocation mechanism. Market Coupling improves the economic surplus of the coupled markets: the highest purchase orders and the lowest sale orders of the coupled power exchanges are matched, regardless of the area where they have been submitted; matching results depend however on the Available Transfer Capacity (ATC) between the coupled hubs. Market prices and schedules of the day-ahead power exchanges of the several connected markets are simultaneously determined with the use of the Available Transfer Capacity defined by the relevant Transmission System Operators. The transmission capacity is thereby implicitly auctioned and the implicit cost of the transmission capacity from one market to the other is the price difference between the two markets. In particular, if the transmission capacity between two markets is not fully used, there is no price difference between the markets and the implicit cost of the transmission capacity is null. Market coupling relies on the principle that the market with the lowest price exports electricity to the market with the highest price. Two situations may appear: either the Available Transfer Capacity (ATC) is large enough and the prices of both markets are equalized (price convergence), or the ATC is too small and the prices cannot be equalized. The Market Coupling algorithm takes as an input: 1 - The Available Transfer Capacity (ATC) between each area for each flow direction and each Settlement Period of the following day (i.e. for each hour of following day); 2 - The (Block Free) Net Export Curves (NEC) of each market for each hour of the following day, i.e., the difference between the total quantity of Divisible Hourly Bids and the total quantity of Divisible Hourly Offers for each price level. The NEC reflects a market's import or export volume sensitivity to price. 3 - The Block Orders submitted by the participants in

  9. Chameleons with Field Dependent Couplings

    CERN Document Server

    Brax, Philippe; Mota, David F; Nunes, Nelson J; Winther, Hans A

    2010-01-01

    Certain scalar-tensor theories exhibit the so-called chameleon mechanism, whereby observational signatures of scalar fields are hidden by a combination of self-interactions and interactions with ambient matter. Not all scalar-tensor theories exhibit such a chameleon mechanism, which has been originally found in models with inverse power run-away potentials and field independent couplings to matter. In this paper we investigate field-theories with field-dependent couplings and a power-law potential for the scalar field. We show that the theory indeed is a chameleon field theory. We find the thin-shell solution for a spherical body and investigate the consequences for E\\"ot-Wash experiments, fifth-force searches and Casimir force experiments. Requiring that the scalar-field evades gravitational tests, we find that the coupling is sensitive to a mass-scale which is of order of the Hubble scale today.

  10. Coupled processes in repository sealing

    International Nuclear Information System (INIS)

    Case, J.B.; Kelsall, P.C.

    1985-01-01

    The significance of coupled processes in repository sealing is evaluated. In most repository designs, shaft seals will be located in areas of relatively low temperature perturbation, in which case the coupling of temperature with stress and permeability may be less significant than the coupling between stress and permeability that occurs during excavation. Constitutive relationships between stress and permeability are reviewed for crystalline rock and rocksalt. These provide a basis for predicting the development of disturbed zones near excavations. Field case histories of the degree of disturbance are presented for two contrasting rock types - Stripa granite and Southeastern New Mexico rocksalt. The results of field investigations in both rock types confirm that hydraulic conductivity or permeability is stress dependent, and that shaft seal performance may be related to the degree that stresses are perturbed and restored near the seal

  11. Coupling Functions Enable Secure Communications

    Science.gov (United States)

    Stankovski, Tomislav; McClintock, Peter V. E.; Stefanovska, Aneta

    2014-01-01

    Secure encryption is an essential feature of modern communications, but rapid progress in illicit decryption brings a continuing need for new schemes that are harder and harder to break. Inspired by the time-varying nature of the cardiorespiratory interaction, here we introduce a new class of secure communications that is highly resistant to conventional attacks. Unlike all earlier encryption procedures, this cipher makes use of the coupling functions between interacting dynamical systems. It results in an unbounded number of encryption key possibilities, allows the transmission or reception of more than one signal simultaneously, and is robust against external noise. Thus, the information signals are encrypted as the time variations of linearly independent coupling functions. Using predetermined forms of coupling function, we apply Bayesian inference on the receiver side to detect and separate the information signals while simultaneously eliminating the effect of external noise. The scheme is highly modular and is readily extendable to support different communications applications within the same general framework.

  12. Strong coupling phase in QED

    International Nuclear Information System (INIS)

    Aoki, Ken-ichi

    1988-01-01

    Existence of a strong coupling phase in QED has been suggested in solutions of the Schwinger-Dyson equation and in Monte Carlo simulation of lattice QED. In this article we recapitulate the previous arguments, and formulate the problem in the modern framework of the renormalization theory, Wilsonian renormalization. This scheme of renormalization gives the best understanding of the basic structure of a field theory especially when it has a multi-phase structure. We resolve some misleading arguments in the previous literature. Then we set up a strategy to attack the strong phase, if any. We describe a trial; a coupled Schwinger-Dyson equation. Possible picture of the strong coupling phase QED is presented. (author)

  13. Trilateral market coupling. Algorithm appendix

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-03-15

    Market Coupling is both a mechanism for matching orders on the exchange and an implicit cross-border capacity allocation mechanism. Market Coupling improves the economic surplus of the coupled markets: the highest purchase orders and the lowest sale orders of the coupled power exchanges are matched, regardless of the area where they have been submitted; matching results depend however on the Available Transfer Capacity (ATC) between the coupled hubs. Market prices and schedules of the day-ahead power exchanges of the several connected markets are simultaneously determined with the use of the Available Transfer Capacity defined by the relevant Transmission System Operators. The transmission capacity is thereby implicitly auctioned and the implicit cost of the transmission capacity from one market to the other is the price difference between the two markets. In particular, if the transmission capacity between two markets is not fully used, there is no price difference between the markets and the implicit cost of the transmission capacity is null. Market coupling relies on the principle that the market with the lowest price exports electricity to the market with the highest price. Two situations may appear: either the Available Transfer Capacity (ATC) is large enough and the prices of both markets are equalized (price convergence), or the ATC is too small and the prices cannot be equalized. The Market Coupling algorithm takes as an input: 1 - The Available Transfer Capacity (ATC) between each area for each flow direction and each Settlement Period of the following day (i.e. for each hour of following day); 2 - The (Block Free) Net Export Curves (NEC) of each market for each hour of the following day, i.e., the difference between the total quantity of Divisible Hourly Bids and the total quantity of Divisible Hourly Offers for each price level. The NEC reflects a market's import or export volume sensitivity to price. 3 - The Block Orders submitted by the

  14. Coupled-Beam and Coupled-Bunch Instabilities

    Energy Technology Data Exchange (ETDEWEB)

    Burov, Alexey [Fermilab

    2016-06-23

    A problem of coupled-beam instability is solved for two multibunch beams with slightly different revolution frequencies, as in the Fermilab Recycler Ring (RR). Sharing of the inter-bunch growth rates between the intra-bunch modes is described. The general analysis is applied to the RR; possibilities to stabilize the beams by means of chromaticity, feedback and Landau damping are considered.

  15. Cation-Coupled Bicarbonate Transporters

    OpenAIRE

    Aalkjaer, Christian; Boedtkjer, Ebbe; Choi, Inyeong; Lee, Soojung

    2014-01-01

    Cation-coupled HCO3− transport was initially identified in the mid-1970s when pioneering studies showed that acid extrusion from cells is stimulated by CO2/HCO3− and associated with Na+ and Cl− movement. The first Na+-coupled bicarbonate transporter (NCBT) was expression-cloned in the late 1990s. There are currently five mammalian NCBTs in the SLC4-family: the electrogenic Na,HCO3-cotransporters NBCe1 and NBCe2 (SLC4A4 and SLC4A5 gene products); the electroneutral Na,HCO3-cotransporter NBCn1 ...

  16. Grating-Coupled Waveguide Cloaking

    International Nuclear Information System (INIS)

    Wang Jia-Fu; Qu Shao-Bo; Ma Hua; Wang Cong-Min; Wang Xin-Hua; Zhou Hang; Xu Zhuo; Xia Song

    2012-01-01

    Based on the concept of a grating-coupled waveguide (GCW), a new strategy for realizing EM cloaking is presented. Using metallic grating, incident waves are firstly coupled into the effective waveguide and then decoupled into free space behind, enabling EM waves to pass around the obstacle. Phase compensation in the waveguide keeps the wave-front shape behind the obstacle unchanged. Circular, rectangular and triangular cloaks are presented to verify the robustness of the GCW cloaking. Electric field animations and radar cross section (RCS) comparisons convincingly demonstrate the cloaking effect

  17. Tunable coupled surface acoustic cavities

    Science.gov (United States)

    de Lima, M. M.; Santos, P. V.; Kosevich, Yu. A.; Cantarero, A.

    2012-06-01

    We demonstrate the electric tuning of the acoustic field in acoustic microcavities (MCs) defined by a periodic arrangement of metal stripes within a surface acoustic delay line on LiNbO3 substrate. Interferometric measurements show the enhancement of the acoustic field distribution within a single MC, the presence of a "bonding" and "anti-bonding" modes for two strongly coupled MCs, as well as the positive dispersion of the "mini-bands" formed by five coupled MCs. The frequency and amplitude of the resonances can be controlled by the potential applied to the metal stripes.

  18. Flashing coupled density wave oscillation

    International Nuclear Information System (INIS)

    Jiang Shengyao; Wu Xinxin; Zhang Youjie

    1997-07-01

    The experiment was performed on the test loop (HRTL-5), which simulates the geometry and system design of the 5 MW reactor. The phenomenon and mechanism of different kinds of two-phase flow instabilities, namely geyser instability, flashing instability and flashing coupled density wave instability are described. The especially interpreted flashing coupled density wave instability has never been studied well, it is analyzed by using a one-dimensional non-thermo equilibrium two-phase flow drift model computer code. Calculations are in good agreement with the experiment results. (5 refs.,5 figs., 1 tab.)

  19. Hydromechanical coupling in geologic processes

    Science.gov (United States)

    Neuzil, C.E.

    2003-01-01

    Earth's porous crust and the fluids within it are intimately linked through their mechanical effects on each other. This paper presents an overview of such "hydromechanical" coupling and examines current understanding of its role in geologic processes. An outline of the theory of hydromechanics and rheological models for geologic deformation is included to place various analytical approaches in proper context and to provide an introduction to this broad topic for nonspecialists. Effects of hydromechanical coupling are ubiquitous in geology, and can be local and short-lived or regional and very long-lived. Phenomena such as deposition and erosion, tectonism, seismicity, earth tides, and barometric loading produce strains that tend to alter fluid pressure. Resulting pressure perturbations can be dramatic, and many so-called "anomalous" pressures appear to have been created in this manner. The effects of fluid pressure on crustal mechanics are also profound. Geologic media deform and fail largely in response to effective stress, or total stress minus fluid pressure. As a result, fluid pressures control compaction, decompaction, and other types of deformation, as well as jointing, shear failure, and shear slippage, including events that generate earthquakes. By controlling deformation and failure, fluid pressures also regulate states of stress in the upper crust. Advances in the last 80 years, including theories of consolidation, transient groundwater flow, and poroelasticity, have been synthesized into a reasonably complete conceptual framework for understanding and describing hydromechanical coupling. Full coupling in two or three dimensions is described using force balance equations for deformation coupled with a mass conservation equation for fluid flow. Fully coupled analyses allow hypothesis testing and conceptual model development. However, rigorous application of full coupling is often difficult because (1) the rheological behavior of geologic media is complex

  20. Fertility prognosis for infertile couples

    DEFF Research Database (Denmark)

    Bostofte, E; Bagger, P; Michael, A

    1993-01-01

    OBJECTIVE: To develop a fertility prognosis model for infertile couples. DESIGN: Prospective follow-up study. PARTICIPANTS: In the period November 30, 1977 to June 1, 1985, 321 consecutive couples were investigated for infertility at Hvidovre University Hospital. Investigation of the female...... MEASURE: The Cox regression model was used to predict the time required to conceive based on informations provided by fertility investigations. RESULTS: Three of 16 prognostic variables (the period of infertility, the female infertility factor, and the P-test) possess significant prognostic information...