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.

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

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.

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.

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

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.

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.

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

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

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.

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.

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

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.

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

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.

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

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

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

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

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)

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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)

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)

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)

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

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.

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.

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.

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

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.

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.

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

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.

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...

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

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...

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

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

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.

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.

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

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...

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.

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

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.)

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.

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.

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.

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.

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

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.

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.

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.

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

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.

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.

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.

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

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.

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...

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.

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.

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.

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)

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.

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.

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.

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

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

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.

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.

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.

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...

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.

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

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.

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)

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.)

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.

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

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.

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

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

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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

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

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

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.)

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.

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....

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.

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)

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.

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.

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

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

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.

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.

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.

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.

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.

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

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.

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 B_Z 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.

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

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.

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.

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

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

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.

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%.

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

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.

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

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

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.

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

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)

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.

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

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.

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).

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.

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.

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

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

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.

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.

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

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

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

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.

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)

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

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.

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.

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.

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.

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)

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

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.

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

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...

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...

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...

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.

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.

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)

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.

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.

Dynamics-based selective 2D 1H/1H chemical shift correlation spectroscopy under ultrafast MAS conditions

Science.gov (United States)

Zhang, Rongchun; Ramamoorthy, Ayyalusamy

2015-05-01

Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of 1H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of 1H/1H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials.

Dynamics-based selective 2D 1H/1H chemical shift correlation spectroscopy under ultrafast MAS conditions

International Nuclear Information System (INIS)

Zhang, Rongchun; Ramamoorthy, Ayyalusamy

2015-01-01

Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of 1 H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of 1 H/ 1 H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials

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.

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.

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.

Outcomes of couples with infidelity in a community-based sample of couple therapy.

Science.gov (United States)

Atkins, David C; Marín, Rebeca A; Lo, Tracy T Y; Klann, Notker; Hahlweg, Kurt

2010-04-01

Infidelity is an often cited problem for couples seeking therapy, but the research literature to date is very limited on couple therapy outcomes when infidelity is a problem. The current study is a secondary analysis of a community-based sample of couple therapy in Germany and Austria. Outcomes for 145 couples who reported infidelity as a problem in their relationship were compared with 385 couples who sought therapy for other reasons. Analyses based on hierarchical linear modeling revealed that infidelity couples were significantly more distressed and reported more depressive symptoms at the start of therapy but continued improving through the end of therapy and to 6 months posttherapy. At the follow-up assessment, infidelity couples were not statistically distinguishable from non-infidelity couples, replicating previous research. Sexual dissatisfaction did not depend on infidelity status. Although there was substantial missing data, sensitivity analyses suggested that the primary findings were not due to missing data. The current findings based on a large community sample replicated previous work from an efficacy trial and show generally optimistic results for couples in which there has been an affair. 2010 APA, all rights reserved

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.

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

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)

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

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

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

Effect of Couple Therapy Based on the Choice Theory on Social Commitment of Couples

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Hossein Abbasi

2017-09-01

Full Text Available Background and Objective: Commitment to spouse, marriage, and family is one of the most important factors ensuring the continuity of marriage and strength of family bonds that has attracted considerable attention in the contemporary family and marriage studies. In this study, we sought to determine the effect of couple therapy based on the choice theory on the social commitment of couples. Materials and Methods: This was a quasi-experimental study with pretest-posttest design and a control group that was performed among volunteer couples visiting Isfahan Counseling and Psychology Centers in Isfahan, Iran, during 2015. The subjects consisted of 32 incompatible couples who were selected through convenience sampling and were randomly assigned into experimental (16 couples and control (16 couples groups. Then, the experimental group received nine sessions of group couple therapy during three months on family life skills based on choice theory. It is worth mentioning that the dependent variable was the social commitment of couples evaluated by the dimensions of commitment inventory of Adams and Jones (1997. The collected data were analyzed by multivariate analysis of covariance in SPSS, version 20. Results: At the post-test stage, couple therapy based on choice theory significantly enhanced social commitment in the experimental group compared to the control group (P<0.001. Conclusion: According to the findings of this study, couple therapy based on the choice theory is an effective strategy in promoting commitment and loyalty to spouse, marriage, and family and can decrease and prevent family-related problems and threats such as divorce and marital infidelity.

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.

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)

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)

Do Couple-Based Interventions Make a Difference for Couples Affected by Cancer?: A Systematic Review

Directory of Open Access Journals (Sweden)

Regan Tim W

2012-07-01

Full Text Available Abstract Background With the growing recognition that patients and partners react to a cancer diagnosis as an interdependent system and increasing evidence that psychosocial interventions can be beneficial to both patients and partners, there has been a recent increase in the attention given to interventions that target couples. The aim of this systematic review was to identify existing couple-based interventions for patients with cancer and their partners and explore the efficacy of these interventions (including whether there is added value to target the couple versus individuals, the content and delivery of couple-based interventions, and to identify the key elements of couple-based interventions that promote improvement in adjustment to cancer diagnosis. Method A systematic review of the cancer literature was performed to identify experimental and quasi-experimental couple-based interventions published between 1990 and 2011. To be considered for this review, studies had to test the efficacy of a psychosocial intervention for couples affected by cancer. Studies were excluded if they were published in a language other than English or French, focused on pharmacological, exercise, or dietary components combined with psychosocial components, or did not assess the impact of the intervention on psychological distress (e.g., depression, anxiety or quality of life. Data were extracted using a standardised data collection form, and were analysed independently by three reviewers. Results Of the 709 articles screened, 23 were included in this review. Couple-based interventions were most efficacious in improving couple communication, psychological distress, and relationship functioning. Interventions had a limited impact on physical distress and social adjustment. Most interventions focused on improving communication and increasing understanding of the cancer diagnosis within couples. Interventions were most often delivered by masters-level nurses or

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.

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.

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.

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.

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.)

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.)

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.

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.

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)

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

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.

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

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

Amplitudes and time scales of picosecond-to-microsecond motion in proteins studied by solid-state NMR: a critical evaluation of experimental approaches and application to crystalline ubiquitin

International Nuclear Information System (INIS)

Haller, Jens D.; Schanda, Paul

2013-01-01

Solid-state NMR provides insight into protein motion over time scales ranging from picoseconds to seconds. While in solution state the methodology to measure protein dynamics is well established, there is currently no such consensus protocol for measuring dynamics in solids. In this article, we perform a detailed investigation of measurement protocols for fast motions, i.e. motions ranging from picoseconds to a few microseconds, which is the range covered by dipolar coupling and relaxation experiments. We perform a detailed theoretical investigation how dipolar couplings and relaxation data can provide information about amplitudes and time scales of local motion. We show that the measurement of dipolar couplings is crucial for obtaining accurate motional parameters, while systematic errors are found when only relaxation data are used. Based on this realization, we investigate how the REDOR experiment can provide such data in a very accurate manner. We identify that with accurate rf calibration, and explicit consideration of rf field inhomogeneities, one can obtain highly accurate absolute order parameters. We then perform joint model-free analyses of 6 relaxation data sets and dipolar couplings, based on previously existing, as well as new data sets on microcrystalline ubiquitin. We show that nanosecond motion can be detected primarily in loop regions, and compare solid-state data to solution-state relaxation and RDC analyses. The protocols investigated here will serve as a useful basis towards the establishment of a routine protocol for the characterization of ps–μs motions in proteins by solid-state NMR

Amplitudes and time scales of picosecond-to-microsecond motion in proteins studied by solid-state NMR: a critical evaluation of experimental approaches and application to crystalline ubiquitin

Energy Technology Data Exchange (ETDEWEB)

Haller, Jens D.; Schanda, Paul, E-mail: paul.schanda@ibs.fr [Univ. Grenoble Alpes, Institut de Biologie Structurale (IBS) (France)

2013-10-09

Solid-state NMR provides insight into protein motion over time scales ranging from picoseconds to seconds. While in solution state the methodology to measure protein dynamics is well established, there is currently no such consensus protocol for measuring dynamics in solids. In this article, we perform a detailed investigation of measurement protocols for fast motions, i.e. motions ranging from picoseconds to a few microseconds, which is the range covered by dipolar coupling and relaxation experiments. We perform a detailed theoretical investigation how dipolar couplings and relaxation data can provide information about amplitudes and time scales of local motion. We show that the measurement of dipolar couplings is crucial for obtaining accurate motional parameters, while systematic errors are found when only relaxation data are used. Based on this realization, we investigate how the REDOR experiment can provide such data in a very accurate manner. We identify that with accurate rf calibration, and explicit consideration of rf field inhomogeneities, one can obtain highly accurate absolute order parameters. We then perform joint model-free analyses of 6 relaxation data sets and dipolar couplings, based on previously existing, as well as new data sets on microcrystalline ubiquitin. We show that nanosecond motion can be detected primarily in loop regions, and compare solid-state data to solution-state relaxation and RDC analyses. The protocols investigated here will serve as a useful basis towards the establishment of a routine protocol for the characterization of ps–μs motions in proteins by solid-state NMR.

Strategic Coupling Based on Natural Resources

DEFF Research Database (Denmark)

Hauge, Mads Martinus

The topic of this thesis is the resourced-based industrialization of the Mekong River Delta (MRD) Region of Vietnam. It shows how a region is linked with the world market and how settlements and living conditions are being transformed as part of a globalized regional development. A modular theory......-building approach rooted in the Global Production Network (GPN) framework constitutes the analytical approach to the thesis, providing pertinent conceptualizations to explore and discuss how a globalized regional development unfolds. The main theoretical concept of the thesis is that of strategic coupling......, an established concept within the GPN framework that explores and explains how local assets are molded to complement the needs of the global market. However, existing applications of the notion of strategic coupling do not cover the situation in which a resource-based economy is coupled with the world market...

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

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

We studied the exchange bias effect in an array of IrMn(3 nm)/NiFe(3 nm) circular dots (size ~140 nm and center-to-center distance ~200 nm, as revealed by microscopy analyses), prepared on a large area (3×3 mm{sup 2}) by electron beam lithography and lift-off, using dc sputtering deposition. Hysteresis loops were measured by SQUID magnetometer at increasing values of temperature T (in the 5–300 K range) after cooling from 300 K down to 5 K in zero field (ZFC mode) and in a saturating magnetic field (FC mode). The exchange bias effect disappears above T~200 K and, at each temperature, the exchange field H{sub EX} measured in ZFC is substantially lower than the FC one. Micromagnetic calculations indicate that, at room temperature, each dot is in high-remanence ground state, but magnetic dipolar interactions establish a low-remanence configuration of the array as a whole. Hence, at low temperature, following the ZFC procedure, the exchange anisotropy in the dot array is averaged out, tending to zero. However, even the FC values of H{sub EX} and of the coercivity H{sub C} are definitely smaller compared to those measured in a reference continuous film with the same stack configuration (at T=5 K, H{sub EX}~90 Oe and H{sub C}~180 Oe in the dots and H{sub EX}~1270 Oe and H{sub C}~860 Oe in the film). Our explanation is based on the proven glassy magnetic nature of the ultrathin IrMn layer, implying the existence of magnetic correlations among the spins, culminating in a collective freezing below T~100 K. We propose, also by the light of micromagnetic simulations, that the small dot size imposes a spatial constraint on the magnetic correlation length among the IrMn spins so that, even at the lowest temperature, their thermal stability, especially at the dot border, is compromised. - Highlights: • Exchange bias in 140 nm-sized IrMn(3 nm)/NiFe(3 nm) dots much weaker than in a film. • Glassy magnetic nature of the IrMn phase and collective spin freezing at T<100 K �

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

We studied the exchange bias effect in an array of IrMn(3 nm)/NiFe(3 nm) circular dots (size ~140 nm and center-to-center distance ~200 nm, as revealed by microscopy analyses), prepared on a large area (3×3 mm"2) by electron beam lithography and lift-off, using dc sputtering deposition. Hysteresis loops were measured by SQUID magnetometer at increasing values of temperature T (in the 5–300 K range) after cooling from 300 K down to 5 K in zero field (ZFC mode) and in a saturating magnetic field (FC mode). The exchange bias effect disappears above T~200 K and, at each temperature, the exchange field H_E_X measured in ZFC is substantially lower than the FC one. Micromagnetic calculations indicate that, at room temperature, each dot is in high-remanence ground state, but magnetic dipolar interactions establish a low-remanence configuration of the array as a whole. Hence, at low temperature, following the ZFC procedure, the exchange anisotropy in the dot array is averaged out, tending to zero. However, even the FC values of H_E_X and of the coercivity H_C are definitely smaller compared to those measured in a reference continuous film with the same stack configuration (at T=5 K, H_E_X~90 Oe and H_C~180 Oe in the dots and H_E_X~1270 Oe and H_C~860 Oe in the film). Our explanation is based on the proven glassy magnetic nature of the ultrathin IrMn layer, implying the existence of magnetic correlations among the spins, culminating in a collective freezing below T~100 K. We propose, also by the light of micromagnetic simulations, that the small dot size imposes a spatial constraint on the magnetic correlation length among the IrMn spins so that, even at the lowest temperature, their thermal stability, especially at the dot border, is compromised. - Highlights: • Exchange bias in 140 nm-sized IrMn(3 nm)/NiFe(3 nm) dots much weaker than in a film. • Glassy magnetic nature of the IrMn phase and collective spin freezing at T<100 K • Confinement of IrMn magnetic

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.

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....

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.

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

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

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.

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

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.

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.

Electromagnetically induced transparency in planar metamaterials based on guided mode resonance

Science.gov (United States)

Sun, Yaru; Chen, Hang; Li, Xiangjun; Hong, Zhi

2017-06-01

We present and numerically demonstrate a novel, electromagnetically induced transparency (EIT) in planar metamaterials (MMs) based on guided mode resonance (GMR). The unit cell of the MM consists of two metallic ring resonators. The GMR with high quality factor (Q) is achieved by changing the distance between the two rings of the MM. Narrow EIT-like spectral response is realized by coupling between a high Q GMR and a low Q dipolar resonance of the MM. Our work could provide another efficient way towards the realization of EIT with large group index using very simple structures.

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.

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

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.

Communication: Molecular dynamics and {sup 1}H NMR of n-hexane in liquid crystals

Energy Technology Data Exchange (ETDEWEB)

Weber, Adrian C. J., E-mail: WeberA@BrandonU.CA [Chemistry Department, Brandon University, 270-18th Street, Brandon, Manitoba R7A 6A9 (Canada); Burnell, E. Elliott, E-mail: elliott.burnell@ubc.ca [Chemistry Department, University of British Columbia, 2036 Main Mall, Vancouver, British Columbia V6T 1Z1 (Canada); Meerts, W. Leo, E-mail: leo.meerts@science.ru.nl [Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, NL-6525 AJ Nijmegen (Netherlands); Atomic, Molecular and Laser Physics, Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands); Lange, Cornelis A. de, E-mail: c.a.de.lange@vu.nl [Atomic, Molecular and Laser Physics, Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands); Dong, Ronald Y., E-mail: rondong@phas.ubc.ca [Department of Physics and Astronomy, University of British Columbia, 6224 Agricultural Road, Vancouver, British Columbia V6T 1Z1 (Canada); Muccioli, Luca, E-mail: Luca.Muccioli@unibo.it; Pizzirusso, Antonio, E-mail: Antonio.Pizzirusso80@gmail.com; Zannoni, Claudio, E-mail: Claudio.Zannoni@unibo.it [Dipartimento di Chimica Industriale “Toso Montanari,” Università di Bologna and INSTM, viale Risorgimento 4, 40136 Bologna (Italy)

2015-07-07

The NMR spectrum of n-hexane orientationally ordered in the nematic liquid crystal ZLI-1132 is analysed using covariance matrix adaptation evolution strategy (CMA-ES). The spectrum contains over 150 000 transitions, with many sharp features appearing above a broad, underlying background signal that results from the plethora of overlapping transitions from the n-hexane as well as from the liquid crystal. The CMA-ES requires initial search ranges for NMR spectral parameters, notably the direct dipolar couplings. Several sets of such ranges were utilized, including three from MD simulations and others from the modified chord model that is specifically designed to predict hydrocarbon-chain dipolar couplings. In the end, only inaccurate dipolar couplings from an earlier study utilizing proton-proton double quantum 2D-NMR techniques on partially deuterated n-hexane provided the necessary estimates. The precise set of dipolar couplings obtained can now be used to investigate conformational averaging of n-hexane in a nematic environment.

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.

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.

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)

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)

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).

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...

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.

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.

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.

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....

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)

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.

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

Two-dimensional NMR investigations of the dynamic conformations of phospholipids and liquid crystals

Energy Technology Data Exchange (ETDEWEB)

Hong, Mei [Univ. of California, Berkeley, CA (United States). Applied Science and Technology

1996-05-01

Two-dimensional 13C, 1H, and 31P nuclear magnetic resonance (NMR) techniques are developed and used to study molecular structure and dynamics in liquid-crystalline systems, primarily phospholipids and nematic liquid crystals. NMR spectroscopy characterizes molecular conformation in terms of orientations and distances of molecular segments. In anisotropically mobile systems, this is achieved by measuring motionally-averaged nuclear dipolar couplings and chemical shift anisotropies. The short-range couplings yield useful bond order parameters, while the long-range interactions constrain the overall conformation. In this work, techniques for probing proton dipolar local fields are further developed to obtain highlyresolved dipolar couplings between protons and rare spins. By exploiting variable-angle sample spinning techniques, orientation-sensitive NMR spectra are resolved according to sitespecific isotropic chemical shifts. Moreover, the signs and magnitudes of various short-range dipolar couplings are obtained. They are used in novel theoretical analyses that provide information about segmental orientations and their distributions. Such information is obtained in a model-independent fashion or with physically reasonable assumptions. The structural investigation of phospholipids is focused on the dynam

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

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...

Incorporating Internet-based Interventions into Couple Therapy: Available Resources and Recommended Uses.

Science.gov (United States)

Cicila, Larisa N; Georgia, Emily J; Doss, Brian D

2014-12-01

Although there are a number of highly efficacious in-person treatments designed to ameliorate relationship distress, only a small proportion of distressed couples seek out in-person treatment. Recently developed internet-based interventions based on these in-person treatments are a promising way to circumvent common barriers to in-person treatment and give more distressed couples access to these efficacious interventions. The overarching aims of this review are to provide couple and family therapists with a broad overview of the available internet-based interventions and provide suggestions about how these interventions might be utilized before, during, or after in-person treatment. First, we review internet-based interventions targeting individual psychopathology (e.g. anxiety and depression). These interventions would be particularly useful as an adjunctive resource for in-person couple or family therapy when referrals for a concurrent in-person individual therapist are not feasible (because of time, financial, or geographic constraints). The majority of the review centers on internet-based interventions for distressed couples and covers four distinct types of resources: relationship advice websites, assessment/feedback interventions, enrichment interventions for satisfied couples, and interventions targeting at-risk or distressed couples. We close with a case study of one couple's journey through a newly developed intervention targeting at-risk couples, OurRelationship.com, and provide two appendices with information on currently available internet-based interventions.

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.

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.

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

Sedimentation equilibria of ferrofluids: II. Experimental osmotic equations of state of magnetite colloids

International Nuclear Information System (INIS)

Luigjes, Bob; Thies-Weesie, Dominique M E; Erné, Ben H; Philipse, Albert P

2012-01-01

The first experimental osmotic equation of state is reported for well-defined magnetic colloids that interact via a dipolar hard-sphere potential. The osmotic pressures are determined from the sedimentation equilibrium concentration profiles in ultrathin capillaries using a low-velocity analytical centrifuge, which is the subject of the accompanying paper I. The pressures of the magnetic colloids, measured accurately to values as low as a few pascals, obey Van ’t Hoff’s law at low concentrations, whereas at increasing colloid densities non-ideality appears in the form of a negative second virial coefficient. This virial coefficient corresponds to a dipolar coupling constant that agrees with the coupling constant obtained via independent magnetization measurements. The coupling constant manifests an attractive potential of mean force that is significant but yet not quite strong enough to induce dipolar chain formation. Our results disprove van der Waals-like phase behavior of dipolar particles for reasons that are explained. (paper)

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

Study of gain-coupled distributed feedback laser based on high order surface gain-coupled gratings

Science.gov (United States)

Gao, Feng; Qin, Li; Chen, Yongyi; Jia, Peng; Chen, Chao; Cheng, LiWen; Chen, Hong; Liang, Lei; Zeng, Yugang; Zhang, Xing; Wu, Hao; Ning, Yongqiang; Wang, Lijun

2018-03-01

Single-longitudinal-mode, gain-coupled distributed feedback (DFB) lasers based on high order surface gain-coupled gratings are achieved. Periodic surface metal p-contacts with insulated grooves realize gain-coupled mechanism. To enhance gain contrast in the quantum wells without the introduction of effective index-coupled effect, groove length and depth were well designed. Our devices provided a single longitudinal mode with the maximum CW output power up to 48.8 mW/facet at 971.31 nm at 250 mA without facet coating, 3dB linewidth (39 dB). Optical bistable characteristic was observed with a threshold current difference. Experimentally, devices with different cavity lengths were contrasted on power-current and spectrum characteristics. Due to easy fabrication technique and stable performance, it provides a method of fabricating practical gain-coupled distributed feedback lasers for commercial applications.

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,

Characterization of polyacrylamide-stabilized Pf1 phage liquid crystals for protein NMR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Trempe, Jean-Francois; Morin, Frederick G.; Xia Zhicheng; Marchessault, Robert H.; Gehring, Kalle [McGill University, Department of Biochemistry and Department of Chemistry (Canada)], E-mail: kalle@bri.nrc.ca

2002-01-15

A new polymer-stabilized nematic liquid crystal has been characterized for the measurement of biomolecular residual dipolar couplings. Filamentous Pf1 phage were embedded in a polyacrylamide matrix that fixes the orientation of the particles. The alignment was characterized by the quadrupolar splitting of the {sup 2}H NMR water signal and by the measurement of {sup 1}H-{sup 15}N residual dipolar couplings (RDC) in the archeal translation elongation factor 1{beta}. Protein dissolved in the polymer-stabilized medium orients quantitatively as in media without polyacrylamide. We show that the quadrupolar splitting and RDCs are zero in media in which the Pf1 phage particles are aligned at the magic angle. This allows measurement of J and dipolar couplings in a single sample.

Characterization of polyacrylamide-stabilized Pf1 phage liquid crystals for protein NMR spectroscopy

International Nuclear Information System (INIS)

Trempe, Jean-Francois; Morin, Frederick G.; Xia Zhicheng; Marchessault, Robert H.; Gehring, Kalle

2002-01-01

A new polymer-stabilized nematic liquid crystal has been characterized for the measurement of biomolecular residual dipolar couplings. Filamentous Pf1 phage were embedded in a polyacrylamide matrix that fixes the orientation of the particles. The alignment was characterized by the quadrupolar splitting of the 2 H NMR water signal and by the measurement of 1 H- 15 N residual dipolar couplings (RDC) in the archeal translation elongation factor 1β. Protein dissolved in the polymer-stabilized medium orients quantitatively as in media without polyacrylamide. We show that the quadrupolar splitting and RDCs are zero in media in which the Pf1 phage particles are aligned at the magic angle. This allows measurement of J and dipolar couplings in a single sample

Microscopic theory of the Coulomb based exchange coupling in magnetic tunnel junctions.

Science.gov (United States)

Udalov, O G; Beloborodov, I S

2017-05-04

We study interlayer exchange coupling based on the many-body Coulomb interaction between conduction electrons in magnetic tunnel junction. This mechanism complements the known interaction between magnetic layers based on virtual electron hopping (or spin currents). We find that these two mechanisms have different behavior on system parameters. The Coulomb based coupling may exceed the hopping based exchange. We show that the Coulomb based exchange interaction, in contrast to the hopping based coupling, depends strongly on the dielectric constant of the insulating layer. The dependence of the interlayer exchange interaction on the dielectric properties of the insulating layer in magnetic tunnel junction is similar to magneto-electric effect where electric and magnetic degrees of freedom are coupled. We calculate the interlayer coupling as a function of temperature and electric field for magnetic tunnel junction with ferroelectric layer and show that the exchange interaction between magnetic leads has a sharp decrease in the vicinity of the ferroelectric phase transition and varies strongly with external electric field.

Flow-based market coupling. Stepping stone towards nodal pricing?

International Nuclear Information System (INIS)

Van der Welle, A.J.

2012-07-01

For achieving one internal energy market for electricity by 2014, market coupling is deployed to integrate national markets into regional markets and ultimately one European electricity market. The extent to which markets can be coupled depends on the available transmission capacities between countries. Since interconnections are congested from time to time, congestion management methods are deployed to divide the scarce available transmission capacities over market participants. For further optimization of the use of available transmission capacities while maintaining current security of supply levels, flow-based market coupling (FBMC) will be implemented in the CWE region by 2013. Although this is an important step forward, important hurdles for efficient congestion management remain. Hence, flow based market coupling is compared to nodal pricing, which is often considered as the most optimal solution from theoretical perspective. In the context of decarbonised power systems it is concluded that advantages of nodal pricing are likely to exceed its disadvantages, warranting further development of FBMC in the direction of nodal pricing.

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.

Dynamic performance analysis of diaphragm coupling base on ABAQUS

Directory of Open Access Journals (Sweden)

You Wen

2017-04-01

Full Text Available Base on the diaphragm coupling of driving system of a rotation testing machine,FEA software ABAQUS is used to simulate the force which the coupling gets when it is working,to obtain the stress and stain during the coupling with axial misalignment and degree misalignment and to find where the maximal stress is as well as its distribution.Then the nature frequency of the coupling is calculated by use of finite element software and rotor dynamics and compared with the date of misalignment and maximum speed from the manufacture,which verifies the correctness of the model and the reliability of the calculation method.

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)

Efficient fiber-coupled single-photon sources based on quantum dots

DEFF Research Database (Denmark)

Daveau, Raphaël Sura

refrigeration with coupled quantum wells. Many photonic quantum information processing applications would benet from a highbrightness, ber-coupled source of triggered single photons. This thesis presents a study of such sources based on quantum dots coupled to unidirectional photonic-crystal waveguide devices.......6 %. This latter method opens a promising future for increasing the eciency and reliability of planar chip-based single-photon sources. Refrigeration of a solid-state system with light has potential applications for cooling small-scale electronic and photonic circuits. We show theoretically that two coupled...... semiconductor quantum wells are ecient cooling media because they support long-lived indirect electron-hole pairs. These pairs can be thermally excited to distinct higher-energy states with faster radiative recombination, thereby creating an ecient escape channel to remove thermal energy from the system. From...

Mesh-based parallel code coupling interface

Energy Technology Data Exchange (ETDEWEB)

Wolf, K.; Steckel, B. (eds.) [GMD - Forschungszentrum Informationstechnik GmbH, St. Augustin (DE). Inst. fuer Algorithmen und Wissenschaftliches Rechnen (SCAI)

2001-04-01

MpCCI (mesh-based parallel code coupling interface) is an interface for multidisciplinary simulations. It provides industrial end-users as well as commercial code-owners with the facility to combine different simulation tools in one environment. Thereby new solutions for multidisciplinary problems will be created. This opens new application dimensions for existent simulation tools. This Book of Abstracts gives a short overview about ongoing activities in industry and research - all presented at the 2{sup nd} MpCCI User Forum in February 2001 at GMD Sankt Augustin. (orig.) [German] MpCCI (mesh-based parallel code coupling interface) definiert eine Schnittstelle fuer multidisziplinaere Simulationsanwendungen. Sowohl industriellen Anwender als auch kommerziellen Softwarehersteller wird mit MpCCI die Moeglichkeit gegeben, Simulationswerkzeuge unterschiedlicher Disziplinen miteinander zu koppeln. Dadurch entstehen neue Loesungen fuer multidisziplinaere Problemstellungen und fuer etablierte Simulationswerkzeuge ergeben sich neue Anwendungsfelder. Dieses Book of Abstracts bietet einen Ueberblick ueber zur Zeit laufende Arbeiten in der Industrie und in der Forschung, praesentiert auf dem 2{sup nd} MpCCI User Forum im Februar 2001 an der GMD Sankt Augustin. (orig.)

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.

A quasiparticle-based multi-reference coupled-cluster method.

Science.gov (United States)

Rolik, Zoltán; Kállay, Mihály

2014-10-07

The purpose of this paper is to introduce a quasiparticle-based multi-reference coupled-cluster (MRCC) approach. The quasiparticles are introduced via a unitary transformation which allows us to represent a complete active space reference function and other elements of an orthonormal multi-reference (MR) basis in a determinant-like form. The quasiparticle creation and annihilation operators satisfy the fermion anti-commutation relations. On the basis of these quasiparticles, a generalization of the normal-ordered operator products for the MR case can be introduced as an alternative to the approach of Mukherjee and Kutzelnigg [Recent Prog. Many-Body Theor. 4, 127 (1995); Mukherjee and Kutzelnigg, J. Chem. Phys. 107, 432 (1997)]. Based on the new normal ordering any quasiparticle-based theory can be formulated using the well-known diagram techniques. Beyond the general quasiparticle framework we also present a possible realization of the unitary transformation. The suggested transformation has an exponential form where the parameters, holding exclusively active indices, are defined in a form similar to the wave operator of the unitary coupled-cluster approach. The definition of our quasiparticle-based MRCC approach strictly follows the form of the single-reference coupled-cluster method and retains several of its beneficial properties. Test results for small systems are presented using a pilot implementation of the new approach and compared to those obtained by other MR methods.

Management of the infertile couple: an evidence-based protocol

Directory of Open Access Journals (Sweden)

Kamel Remah M

2010-03-01

Full Text Available Abstract Background Infertility is defined as inability of a couple to conceive naturally after one year of regular unprotected sexual intercourse. It remains a major clinical and social problem, affecting perhaps one couple in six. Evaluation usually starts after 12 months; however it may be indicated earlier. The most common causes of infertility are: male factor such as sperm abnormalities, female factor such as ovulation dysfunction and tubal pathology, combined male and female factors and unexplained infertility. Objectives The aim of this study is to provide the healthcare professionals an evidence-based management protocol for infertile couples away from medical information overload. Methods A comprehensive review where the literature was searched for "Management of infertility and/or infertile couples" at library website of University of Bristol (MetaLib by using a cross-search of different medical databases besides the relevant printed medical journals and periodicals. Guidelines and recommendations were retrieved from the best evidence reviews such as that from the American College of Obstetricians and Gynaecologists (ACOG, American Society for Reproductive Medicine (ASRM, Canadian Fertility and Andrology Society (CFAS, and Royal College of Obstetricians and Gynaecologists (RCOG. Results A simple guide for the clinicians to manage the infertile couples. Conclusions The study deploys a new strategy to translate the research findings and evidence-base recommendations into a simplified focused guide to be applied on routine daily practice. It is an approach to disseminate the recommended medical care for infertile couple to the practicing clinicians.

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...

Cognitive radio resource allocation based on coupled chaotic genetic algorithm

International Nuclear Information System (INIS)

Zu Yun-Xiao; Zhou Jie; Zeng Chang-Chang

2010-01-01

A coupled chaotic genetic algorithm for cognitive radio resource allocation which is based on genetic algorithm and coupled Logistic map is proposed. A fitness function for cognitive radio resource allocation is provided. Simulations are conducted for cognitive radio resource allocation by using the coupled chaotic genetic algorithm, simple genetic algorithm and dynamic allocation algorithm respectively. The simulation results show that, compared with simple genetic and dynamic allocation algorithm, coupled chaotic genetic algorithm reduces the total transmission power and bit error rate in cognitive radio system, and has faster convergence speed

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).

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](-).

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

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

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

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.

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....

Muon spin relaxation in ferromagnets. Pt. 1

International Nuclear Information System (INIS)

Lovesey, S.W.; Karlsson, E.B.

1991-04-01

Expressions for the dipolar and hyperfine contributions to the relaxation rate of muons implanted in a ferromagnet are presented and analysed using the Heisenberg model of spin-waves including dipolar and Zeeman energies. Calculations for EuO indicate that relaxation is likely to be dominated by the hyperfine mechanism, even if the ratio of the hyperfine and dipolar coupling constants is small. The hyperfine mechanism is sensitive to the dipolar energy of the atomic spins, whereas the dipolar mechanisms depend essentially on the exchange energy. For both mechanisms there is an almost quadratic dependence on temperature, throughout much of the ordered magnetic phase, which reflects two-spin-wave difference events from the Raman-type relaxation processes. (author)

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.

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

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

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.

A Coupled Simulation Architecture for Agent-Based/Geohydrological Modelling

Science.gov (United States)

Jaxa-Rozen, M.

2016-12-01

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

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.

Coupling of HDPE/hydroxyapatite composites by silane-based methodologies.

Science.gov (United States)

Sousa, R A; Reis, R L; Cunha, A M; Bevis, M J

2003-06-01

Several coupling treatments based on silane chemicals were investigated for the development of high density (HDPE)/hydroxyapatite (HA) composites. Two HA powders, sintered HA (HAs) and non sintered HA (HAns), were studied in combination with five silanes, namely y-methacryloxy propyltrimethoxy silane (MEMO), 3-(2-aminoethyl)aminopropyltrimethoxy silane (DAMO), vinyltrimethoxy silane (VTMO), 3-aminopropyltriethoxy silane (AMEO) and trimethoxypropyl silane (PTMO). The HA particles were treated by a dipping in method or by spraying with silane solutions. After drying, the treated powders were compounded with HDPE or HDPE with acrylic acid and/or organic peroxide and subsequently compression molded. The tensile test specimens obtained from the molded plates were tensile tested and their fracture surfaces were observed by scanning electron microscopy (SEM). For the sintered HA (HAs) composites, the most effective coupling treatments concerning stiffness are those based on MEMO and AMEO. The low influence of these coupling procedures on strength is believed to be associated to the low volume fraction and the relatively smooth surface of the used HA particles. For the non-sintered HA (HAns) composites, it was possible to improve significantly both the stiffness and the strength. Amino silanes demonstrated to be highly efficient concerning strength enhancement. The higher effectiveness of the coupling treatments for HAns filled composites is attributed to their higher particle surface area, smaller particle size distribution and expected higher chemical reactivity. For both cases, the improvement in mechanical performance after the coupling treatment is consistent with the enhancement in interfacial adhesion observed by SEM.

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.

single crystal for applications in non-linear optical devices

Indian Academy of Sciences (India)

The unrestricted natural orbital (UNO) is used for the calculation of spin–spin dipolar contributions to the ZFS tensor. A comparative study of the quantum mechanical treatment of Pederson–Khanna (PK) with coupled perturbation (CP) is reported in the present study. The unrestricted Kohn–Sham-based natural orbital with ...

N-Alkylated dinitrones from isosorbide as cross-linkers for unsaturated bio-based polyesters

Directory of Open Access Journals (Sweden)

Oliver Goerz

2014-04-01

Full Text Available Isosorbide was esterified with acryloyl chloride and crotonic acid yielding isosorbide diacrylate (9a and isosorbide dicrotonate (9b, which were reacted with benzaldehyde oxime in the presence of zinc(II iodide and boron triflouride etherate as catalysts to obtain N-alkylated dinitrones 10a/b. Poly(isosorbide itaconite -co- succinate 13 as a bio-based unsaturated polyester was cross-linked by a 1,3-dipolar cycloaddition with the received dinitrones 10a/b. The 1,3-dipolar cycloaddition led to a strong change of the mechanical properties which were investigated by rheological measurements. Nitrones derived from methyl acrylate (3a and methyl crotonate (3b were used as model systems and reacted with dimethyl itaconate to further characterize the 1,3-dipolaric cycloaddition.

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.

A global hybrid coupled model based on atmosphere-SST feedbacks

Energy Technology Data Exchange (ETDEWEB)

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

2012-02-15

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

The magnetoelectric coupling effect in multiferroic composites based on PZT–ferrite

International Nuclear Information System (INIS)

Bartkowska, J.A.

2015-01-01

In the multiferroic materials, the dielectric and magnetic properties are closely correlated through the coupling interaction between the ferroelectric and magnetic order. We attempted to determine the values of magnetoelectric coupling coefficient, from the temperature dependences of the dielectric permittivity for the ferroelectric–ferromagnetic composite PZT–ferrite type, namely PSZTC–NiZn and PBZTN–NiZn. The main component of the ferroelectric–ferromagnetic composite was PZT type powder (with ferroelectric properties), which was synthesized using sintering of a mixture of simple oxides in solid phase. The second element of the ferroelectric–ferromagnetic composite was the ferrite powder (with ferromagnetic properties). Ferrite powder was synthesized using calcination. Next, the mixed components were synthesized using sintering of the mixture of simple oxides in a solid phase (compaction by a free sintering method). The temperature dependences of the dielectric permittivity (ε) for the different frequencies and for both multiferroic composites were investigated. Based on dielectric measurements and theoretical considerations, the values of the magnetoelectric coupling coefficient were specified. - Highlights: • The magnetoelectric effect at two different ferroelectric–ferromagnetic composites based on a PZT and nickel–zinc ferrite. • Multiferroics composite incorporate both ferroelectric and magnetic phases. • The mechanism of the magnetoelectric coupling between ferroelectric and magnetic properties, in multiferroic composites, is caused by the strain. • The determination of the magnetoelectric coupling coefficient based on a theoretical model and the measurements of dielectric permittivity

The magnetoelectric coupling effect in multiferroic composites based on PZT–ferrite

Energy Technology Data Exchange (ETDEWEB)

Bartkowska, J.A., E-mail: joanna.bartkowska@us.edu.pl

2015-01-15

In the multiferroic materials, the dielectric and magnetic properties are closely correlated through the coupling interaction between the ferroelectric and magnetic order. We attempted to determine the values of magnetoelectric coupling coefficient, from the temperature dependences of the dielectric permittivity for the ferroelectric–ferromagnetic composite PZT–ferrite type, namely PSZTC–NiZn and PBZTN–NiZn. The main component of the ferroelectric–ferromagnetic composite was PZT type powder (with ferroelectric properties), which was synthesized using sintering of a mixture of simple oxides in solid phase. The second element of the ferroelectric–ferromagnetic composite was the ferrite powder (with ferromagnetic properties). Ferrite powder was synthesized using calcination. Next, the mixed components were synthesized using sintering of the mixture of simple oxides in a solid phase (compaction by a free sintering method). The temperature dependences of the dielectric permittivity (ε) for the different frequencies and for both multiferroic composites were investigated. Based on dielectric measurements and theoretical considerations, the values of the magnetoelectric coupling coefficient were specified. - Highlights: • The magnetoelectric effect at two different ferroelectric–ferromagnetic composites based on a PZT and nickel–zinc ferrite. • Multiferroics composite incorporate both ferroelectric and magnetic phases. • The mechanism of the magnetoelectric coupling between ferroelectric and magnetic properties, in multiferroic composites, is caused by the strain. • The determination of the magnetoelectric coupling coefficient based on a theoretical model and the measurements of dielectric permittivity.

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.

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.

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.

Optimization of Multiresonant Wireless Power Transfer Network Based on Generalized Coupled Matrix

Directory of Open Access Journals (Sweden)

Qiang Zhao

2017-01-01

Full Text Available Magnetic coupling resonant wireless power transfer network (MCRWPTN system can realize wireless power transfer for some electrical equipment real-time and high efficiency in a certain spatial scale, which resolves the contradiction between power transfer efficiency and the power transfer distance of the wireless power transfer. A fully coupled resonant energy transfer model for multirelay coils and ports is established. A dynamic adaptive impedance matching control based on fully coupling matrix and particle swarm optimization algorithm based on annealing is developed for the MCRWPTN. Furthermore, as an example, the network which has twenty nodes is analyzed, and the best transmission coefficient which has the highest power transfer efficiency is found using the optimization algorithm, and the coupling constraints are considered simultaneously. Finally, the effectiveness of the proposed method is proved by the simulation results.

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.

Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences

Energy Technology Data Exchange (ETDEWEB)

Rinaldelli, Mauro; Ravera, Enrico; Calderone, Vito; Parigi, Giacomo [University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino (Finland) (Italy); University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino (Finland) (Italy); Murshudov, Garib N., E-mail: garib@mrc-lmb.cam.ac.uk [MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH (United Kingdom); Luchinat, Claudio, E-mail: garib@mrc-lmb.cam.ac.uk [University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino (Finland) (Italy); University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino (Finland) (Italy)

2014-04-01

Paramagnetic NMR data (pseudocontact shifts and self-orientation residual dipolar couplings) and diamagnetic residual dipolar couplings can now be used in the program REFMAC5 from CCP4 as structural restraints together with X-ray crystallographic data. These NMR restraints can reveal differences between solid state and solution conformations of molecules or, in their absence, can be used together with X-ray crystallographic data for structural refinement. The program REFMAC5 from CCP4 was modified to allow the simultaneous use of X-ray crystallographic data and paramagnetic NMR data (pseudocontact shifts and self-orientation residual dipolar couplings) and/or diamagnetic residual dipolar couplings. Incorporation of these long-range NMR restraints in REFMAC5 can reveal differences between solid-state and solution conformations of molecules or, in their absence, can be used together with X-ray crystallographic data for structural refinement. Since NMR and X-ray data are complementary, when a single structure is consistent with both sets of data and still maintains reasonably ‘ideal’ geometries, the reliability of the derived atomic model is expected to increase. The program was tested on five different proteins: the catalytic domain of matrix metalloproteinase 1, GB3, ubiquitin, free calmodulin and calmodulin complexed with a peptide. In some cases the joint refinement produced a single model consistent with both sets of observations, while in other cases it indicated, outside the experimental uncertainty, the presence of different protein conformations in solution and in the solid state.

Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences

International Nuclear Information System (INIS)

Rinaldelli, Mauro; Ravera, Enrico; Calderone, Vito; Parigi, Giacomo; Murshudov, Garib N.; Luchinat, Claudio

2014-01-01

Paramagnetic NMR data (pseudocontact shifts and self-orientation residual dipolar couplings) and diamagnetic residual dipolar couplings can now be used in the program REFMAC5 from CCP4 as structural restraints together with X-ray crystallographic data. These NMR restraints can reveal differences between solid state and solution conformations of molecules or, in their absence, can be used together with X-ray crystallographic data for structural refinement. The program REFMAC5 from CCP4 was modified to allow the simultaneous use of X-ray crystallographic data and paramagnetic NMR data (pseudocontact shifts and self-orientation residual dipolar couplings) and/or diamagnetic residual dipolar couplings. Incorporation of these long-range NMR restraints in REFMAC5 can reveal differences between solid-state and solution conformations of molecules or, in their absence, can be used together with X-ray crystallographic data for structural refinement. Since NMR and X-ray data are complementary, when a single structure is consistent with both sets of data and still maintains reasonably ‘ideal’ geometries, the reliability of the derived atomic model is expected to increase. The program was tested on five different proteins: the catalytic domain of matrix metalloproteinase 1, GB3, ubiquitin, free calmodulin and calmodulin complexed with a peptide. In some cases the joint refinement produced a single model consistent with both sets of observations, while in other cases it indicated, outside the experimental uncertainty, the presence of different protein conformations in solution and in the solid state

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.

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.

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.

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.

A morphing approach to couple state-based peridynamics with classical continuum mechanics

KAUST Repository

Han, Fei

2016-01-04

A local/nonlocal coupling technique called the morphing method is developed to couple classical continuum mechanics with state-based peridynamics. State-based peridynamics, which enables the description of cracks that appear and propagate spontaneously, is applied to the key domain of a structure, where damage and fracture are considered to have non-negligible effects. In the rest of the structure, classical continuum mechanics is used to reduce computational costs and to simultaneously satisfy solution accuracy and boundary conditions. Both models are glued by the proposed morphing method in the transition region. The morphing method creates a balance between the stiffness tensors of classical continuum mechanics and the weighted coefficients of state-based peridynamics through the equivalent energy density of both models. Linearization of state-based peridynamics is derived by Taylor approximations based on vector operations. The discrete formulation of coupled models is also described. Two-dimensional numerical examples illustrate the validity and accuracy of the proposed technique. It is shown that the morphing method, originally developed for bond-based peridynamics, can be successfully extended to state-based peridynamics through the original developments presented here.

A morphing approach to couple state-based peridynamics with classical continuum mechanics

KAUST Repository

Han, Fei; Lubineau, Gilles; Azdoud, Yan; Askari, Abe

2016-01-01

A local/nonlocal coupling technique called the morphing method is developed to couple classical continuum mechanics with state-based peridynamics. State-based peridynamics, which enables the description of cracks that appear and propagate spontaneously, is applied to the key domain of a structure, where damage and fracture are considered to have non-negligible effects. In the rest of the structure, classical continuum mechanics is used to reduce computational costs and to simultaneously satisfy solution accuracy and boundary conditions. Both models are glued by the proposed morphing method in the transition region. The morphing method creates a balance between the stiffness tensors of classical continuum mechanics and the weighted coefficients of state-based peridynamics through the equivalent energy density of both models. Linearization of state-based peridynamics is derived by Taylor approximations based on vector operations. The discrete formulation of coupled models is also described. Two-dimensional numerical examples illustrate the validity and accuracy of the proposed technique. It is shown that the morphing method, originally developed for bond-based peridynamics, can be successfully extended to state-based peridynamics through the original developments presented here.

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)

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.

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.

Stable integrated hyper-parametric oscillator based on coupled optical microcavities.

Science.gov (United States)

Armaroli, Andrea; Feron, Patrice; Dumeige, Yannick

2015-12-01

We propose a flexible scheme based on three coupled optical microcavities that permits us to achieve stable oscillations in the microwave range, the frequency of which depends only on the cavity coupling rates. We find that the different dynamical regimes (soft and hard excitation) affect the oscillation intensity, but not their periods. This configuration may permit us to implement compact hyper-parametric sources on an integrated optical circuit with interesting applications in communications, sensing, and metrology.

Fiber-optic coupling based on nonimaging expanded-beam optics.

Science.gov (United States)

Moslehi, B; Ng, J; Kasimoff, I; Jannson, T

1989-12-01

We have fabricated and experimentally tested low-cost and mass-producible multimode fiber-optic couplers and connectors based on nonimaging beam-expanding optics and Liouville's theorem. Analysis indicates that a pair coupling loss of -0.25 dB can be achieved. Experimentally, we measured insertion losses as low as -0.38 dB. The beam expanders can be mass produced owing to the use of plastic injection-molding fabrication techniques and packaged in standard connector housings. This design is compatible with the fiber geometry and can yield highly stable coupling owing to its high tolerance for misalignments.

Loose Coupling of Wearable-Based INSs with Automatic Heading Evaluation

Directory of Open Access Journals (Sweden)

Dina Bousdar Ahmed

2017-11-01

Full Text Available Position tracking of pedestrians by means of inertial sensors is a highly explored field of research. In fact, there are already many approaches to implement inertial navigation systems (INSs. However, most of them use a single inertial measurement unit (IMU attached to the pedestrian’s body. Since wearable-devices will be given items in the future, this work explores the implementation of an INS using two wearable-based IMUs. A loosely coupled approach is proposed to combine the outputs of wearable-based INSs. The latter are based on a pocket-mounted IMU and a foot-mounted IMU. The loosely coupled fusion combines the output of the two INSs not only when these outputs are least erroneous, but also automatically favoring the best output. This approach is named smart update. The main challenge is determining the quality of the heading estimation of each INS, which changes every time. In order to address this, a novel concept to determine the quality of the heading estimation is presented. This concept is subject to a patent application. The results show that the position error rate of the loosely coupled fusion is 10 cm/s better than either the foot INS’s or pocket INS’s error rate in 95% of the cases.

Loose Coupling of Wearable-Based INSs with Automatic Heading Evaluation.

Science.gov (United States)

Bousdar Ahmed, Dina; Munoz Diaz, Estefania

2017-11-03

Position tracking of pedestrians by means of inertial sensors is a highly explored field of research. In fact, there are already many approaches to implement inertial navigation systems (INSs). However, most of them use a single inertial measurement unit (IMU) attached to the pedestrian's body. Since wearable-devices will be given items in the future, this work explores the implementation of an INS using two wearable-based IMUs. A loosely coupled approach is proposed to combine the outputs of wearable-based INSs. The latter are based on a pocket-mounted IMU and a foot-mounted IMU. The loosely coupled fusion combines the output of the two INSs not only when these outputs are least erroneous, but also automatically favoring the best output. This approach is named smart update. The main challenge is determining the quality of the heading estimation of each INS, which changes every time. In order to address this, a novel concept to determine the quality of the heading estimation is presented. This concept is subject to a patent application. The results show that the position error rate of the loosely coupled fusion is 10 cm/s better than either the foot INS's or pocket INS's error rate in 95% of the cases.

Development of a CANDU Moderator Analysis Model; Based on Coupled Solver

International Nuclear Information System (INIS)

Yoon, Churl; Park, Joo Hwan

2006-01-01

A CFD model for predicting the CANDU-6 moderator temperature has been developed for several years in KAERI, which is based on CFX-4. This analytic model(CFX4-CAMO) has some strength in the modeling of hydraulic resistance in the core region and in the treatment of heat source term in the energy equations. But the convergence difficulties and slow computing speed reveal to be the limitations of this model, because the CFX-4 code adapts a segregated solver to solve the governing equations with strong coupled-effect. Compared to CFX-4 using segregated solver, CFX-10 adapts high efficient and robust coupled-solver. Before December 2005 when CFX-10 was distributed, the previous version of CFX-10(CFX-5. series) also adapted coupled solver but didn't have any capability to apply porous media approaches correctly. In this study, the developed moderator analysis model based on CFX- 4 (CFX4-CAMO) is transformed into a new moderator analysis model based on CFX-10. The new model is examined and the results are compared to the former

C-C Coupling on Single-Atom-Based Heterogeneous Catalyst.

Science.gov (United States)

Zhang, Xiaoyan; Sun, Zaicheng; Wang, Bin; Tang, Yu; Nguyen, Luan; Li, Yuting; Tao, Franklin Feng

2018-01-24

Compared to homogeneous catalysis, heterogeneous catalysis allows for ready separation of products from the catalyst and thus reuse of the catalyst. C-C coupling is typically performed on a molecular catalyst which is mixed with reactants in liquid phase during catalysis. This homogeneous mixing at a molecular level in the same phase makes separation of the molecular catalyst extremely challenging and costly. Here we demonstrated that a TiO 2 -based nanoparticle catalyst anchoring singly dispersed Pd atoms (Pd 1 /TiO 2 ) is selective and highly active for more than 10 Sonogashira C-C coupling reactions (R≡CH + R'X → R≡R'; X = Br, I; R' = aryl or vinyl). The coupling between iodobenzene and phenylacetylene on Pd 1 /TiO 2 exhibits a turnover rate of 51.0 diphenylacetylene molecules per anchored Pd atom per minute at 60 °C, with a low apparent activation barrier of 28.9 kJ/mol and no cost of catalyst separation. DFT calculations suggest that the single Pd atom bonded to surface lattice oxygen atoms of TiO 2 acts as a site to dissociatively chemisorb iodobenzene to generate an intermediate phenyl, which then couples with phenylacetylenyl bound to a surface oxygen atom. This coupling of phenyl adsorbed on Pd 1 and phenylacetylenyl bound to O ad of TiO 2 forms the product molecule, diphenylacetylene.

Study on frequency characteristics of wireless power transmission system based on magnetic coupling resonance

Science.gov (United States)

Liang, L. H.; Liu, Z. Z.; Hou, Y. J.; Zeng, H.; Yue, Z. K.; Cui, S.

2017-11-01

In order to study the frequency characteristics of the wireless energy transmission system based on the magnetic coupling resonance, a circuit model based on the magnetic coupling resonant wireless energy transmission system is established. The influence of the load on the frequency characteristics of the wireless power transmission system is analysed. The circuit coupling theory is used to derive the minimum load required to suppress frequency splitting. Simulation and experimental results verify that when the load size is lower than a certain value, the system will appear frequency splitting, increasing the load size can effectively suppress the frequency splitting phenomenon. The power regulation scheme of the wireless charging system based on magnetic coupling resonance is given. This study provides a theoretical basis for load selection and power regulation of wireless power transmission systems.

Magic Angle Spinning NMR Structure Determination of Proteins from Pseudocontact Shifts

KAUST Repository

Li, Jianping

2013-06-05

Magic angle spinning solid-state NMR is a unique technique to study atomic-resolution structure of biomacromolecules which resist crystallization or are too large to study by solution NMR techniques. However, difficulties in obtaining sufficient number of long-range distance restraints using dipolar coupling based spectra hamper the process of structure determination of proteins in solid-state NMR. In this study it is shown that high-resolution structure of proteins in solid phase can be determined without the use of traditional dipolar-dipolar coupling based distance restraints by combining the measurements of pseudocontact shifts (PCSs) with Rosetta calculations. The PCSs were generated by chelating exogenous paramagnetic metal ions to a tag 4-mercaptomethyl-dipicolinic acid, which is covalently attached to different residue sites in a 56-residue immunoglobulin-binding domain of protein G (GB1). The long-range structural restraints with metal-nucleus distance of up to ∼20 Å are quantitatively extracted from experimentally observed PCSs, and these are in good agreement with the distances back-calculated using an X-ray structure model. Moreover, we demonstrate that using several paramagnetic ions with varied paramagnetic susceptibilities as well as the introduction of paramagnetic labels at different sites can dramatically increase the number of long-range restraints and cover different regions of the protein. The structure generated from solid-state NMR PCSs restraints combined with Rosetta calculations has 0.7 Å root-mean-square deviation relative to X-ray structure. © 2013 American Chemical Society.

Magic Angle Spinning NMR Structure Determination of Proteins from Pseudocontact Shifts

KAUST Repository

Li, Jianping; Pilla, Kala Bharath; Li, Qingfeng; Zhang, Zhengfeng; Su, Xuncheng; Huber, Thomas; Yang, Jun

2013-01-01

Magic angle spinning solid-state NMR is a unique technique to study atomic-resolution structure of biomacromolecules which resist crystallization or are too large to study by solution NMR techniques. However, difficulties in obtaining sufficient number of long-range distance restraints using dipolar coupling based spectra hamper the process of structure determination of proteins in solid-state NMR. In this study it is shown that high-resolution structure of proteins in solid phase can be determined without the use of traditional dipolar-dipolar coupling based distance restraints by combining the measurements of pseudocontact shifts (PCSs) with Rosetta calculations. The PCSs were generated by chelating exogenous paramagnetic metal ions to a tag 4-mercaptomethyl-dipicolinic acid, which is covalently attached to different residue sites in a 56-residue immunoglobulin-binding domain of protein G (GB1). The long-range structural restraints with metal-nucleus distance of up to ∼20 Å are quantitatively extracted from experimentally observed PCSs, and these are in good agreement with the distances back-calculated using an X-ray structure model. Moreover, we demonstrate that using several paramagnetic ions with varied paramagnetic susceptibilities as well as the introduction of paramagnetic labels at different sites can dramatically increase the number of long-range restraints and cover different regions of the protein. The structure generated from solid-state NMR PCSs restraints combined with Rosetta calculations has 0.7 Å root-mean-square deviation relative to X-ray structure. © 2013 American Chemical Society.

Steady-State Core Temperature Prediction Based on GAMMA+/CAPP Coupling

International Nuclear Information System (INIS)

Tak, Nam-il; Lee, Hyun-Chul; Lim, Hong-Sik

2015-01-01

In spite of sizable applications of the GAMMA+ code for the thermo-fluid analysis and design of a prismatic VHTR, the existing works are limited to stand-alone calculations. In the stand-alone calculations, information from the neutronic analysis (e.g., reactor power density profile) was considered only once i.e., when the calculations get started. For the neutronic analysis and design of a VHTR, the CAPP code, which is also under development at KAERI, is used. The main objective of this paper is to investigate the capability of GAMMA+ and CAPP coupling and to examine the results of the coupled analysis. Based on the coupling of GAMMA+ and CAPP, the steady-state core temperature was investigated in this work. It is found that the communication of data was successful. And the results of the GAMMA+ and CAPP coupling are found to be reasonable. The design modification of PMR200 is required to satisfy the design limit for the hot spot fuel temperature

Microcomputer based test system for charge coupled devices

International Nuclear Information System (INIS)

Sidman, S.

1981-02-01

A microcomputer based system for testing analog charge coupled integrated circuits has been developed. It measures device performance for three parameters: dynamic range, baseline shift due to leakage current, and transfer efficiency. A companion board tester has also been developed. The software consists of a collection of BASIC and assembly language routines developed on the test system microcomputer

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.

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

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.

Interseismic Coupling-Based Earthquake and Tsunami Scenarios for the Nankai Trough

Science.gov (United States)

Baranes, H.; Woodruff, J. D.; Loveless, J. P.; Hyodo, M.

2018-04-01

Theoretical modeling and investigations of recent subduction zone earthquakes show that geodetic estimates of interseismic coupling and the spatial distribution of coseismic rupture are correlated. However, the utility of contemporary coupling in guiding construction of rupture scenarios has not been evaluated on the world's most hazardous faults. Here we demonstrate methods for scaling coupling to slip to create rupture models for southwestern Japan's Nankai Trough. Results show that coupling-based models produce distributions of ground surface deformation and tsunami inundation that are similar to historical and geologic records of the largest known Nankai earthquake in CE 1707 and to an independent, quasi-dynamic rupture model. Notably, these models and records all support focused subsidence around western Shikoku that makes the region particularly vulnerable to flooding. Results imply that contemporary coupling mirrors the slip distribution of a full-margin, 1707-type rupture, and Global Positioning System measurements of surface motion are connected with the trough's physical characteristics.

A Coupled User Clustering Algorithm Based on Mixed Data for Web-Based Learning Systems

Directory of Open Access Journals (Sweden)

Ke Niu

2015-01-01

Full Text Available In traditional Web-based learning systems, due to insufficient learning behaviors analysis and personalized study guides, a few user clustering algorithms are introduced. While analyzing the behaviors with these algorithms, researchers generally focus on continuous data but easily neglect discrete data, each of which is generated from online learning actions. Moreover, there are implicit coupled interactions among the data but are frequently ignored in the introduced algorithms. Therefore, a mass of significant information which can positively affect clustering accuracy is neglected. To solve the above issues, we proposed a coupled user clustering algorithm for Wed-based learning systems by taking into account both discrete and continuous data, as well as intracoupled and intercoupled interactions of the data. The experiment result in this paper demonstrates the outperformance of the proposed algorithm.

Hybrid Coupling of Laser Light sources to Silicon (Oxy)Nitride Based Waveguides

NARCIS (Netherlands)

Krijger, A.J.T. de; Bekman, H.H.P.T.

1997-01-01

An efficient method was developed to couple a diode laser to a high contrast waveguides. The laserdiodes were mounted with sub-micron precision using a thermocompression mounting technique. An AlGaAs (λ = 850 nm) laserdiode was coupled to a SiON based slab waveguide (efficiency η EQ 25 - 30%) and to

ZnO nanowire-based glucose biosensors with different coupling agents

Energy Technology Data Exchange (ETDEWEB)

Jung, Juneui [Department of Chemical and Biomolecular Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 120-749 (Korea, Republic of); Lim, Sangwoo, E-mail: swlim@yonsei.ac.kr [Department of Chemical and Biomolecular Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 120-749 (Korea, Republic of)

2013-01-15

Highlights: Black-Right-Pointing-Pointer Fabrication of ZnO nanowire-based glucose biosensors using different coupling agents. Black-Right-Pointing-Pointer Highest sensitivity for (3-aminopropyl)methyldiethoxysilane-treated biosensor. Black-Right-Pointing-Pointer Larger amount of glucose oxidase and lower electron transfer resistance for (3-aminopropyl)methyldiethoxysilane-treated biosensor. - Abstract: ZnO-nanowire-based glucose biosensors were fabricated by immobilizing glucose oxidase (GOx) onto a linker attached to ZnO nanowires. Different coupling agents were used, namely (3-aminopropyl)trimethoxysilane (APTMS), (3-aminopropyl)triethoxysilane (APTES), and (3-aminopropyl)methyldiethoxysilane (APS), to increase the affinity of GOx binding to ZnO nanowires. The amount of GOx immobilized on the ZnO nanowires, the performance, sensitivity, and Michaelis-Menten constant of each biosensor, and the electron transfer resistance through the biosensor were all measured in order to investigate the effect of the coupling agent on the ZnO nanowire-based biosensor. Among the different biosensors, the APS-treated biosensor had the highest sensitivity (17.72 {mu}A cm{sup -2} mM{sup -1}) and the lowest Michaelis-Menten constant (1.37 mM). Since APS-treated ZnO nanowires showed the largest number of C-N groups and the lowest electron transfer resistance through the biosensor, we concluded that these properties were the key factors in the performance of APS-treated glucose biosensors.

ZnO nanowire-based glucose biosensors with different coupling agents

International Nuclear Information System (INIS)

Jung, Juneui; Lim, Sangwoo

2013-01-01

Highlights: ► Fabrication of ZnO nanowire-based glucose biosensors using different coupling agents. ► Highest sensitivity for (3-aminopropyl)methyldiethoxysilane-treated biosensor. ► Larger amount of glucose oxidase and lower electron transfer resistance for (3-aminopropyl)methyldiethoxysilane-treated biosensor. - Abstract: ZnO-nanowire-based glucose biosensors were fabricated by immobilizing glucose oxidase (GOx) onto a linker attached to ZnO nanowires. Different coupling agents were used, namely (3-aminopropyl)trimethoxysilane (APTMS), (3-aminopropyl)triethoxysilane (APTES), and (3-aminopropyl)methyldiethoxysilane (APS), to increase the affinity of GOx binding to ZnO nanowires. The amount of GOx immobilized on the ZnO nanowires, the performance, sensitivity, and Michaelis–Menten constant of each biosensor, and the electron transfer resistance through the biosensor were all measured in order to investigate the effect of the coupling agent on the ZnO nanowire-based biosensor. Among the different biosensors, the APS-treated biosensor had the highest sensitivity (17.72 μA cm −2 mM −1 ) and the lowest Michaelis–Menten constant (1.37 mM). Since APS-treated ZnO nanowires showed the largest number of C-N groups and the lowest electron transfer resistance through the biosensor, we concluded that these properties were the key factors in the performance of APS-treated glucose biosensors.

A cross-coupled-structure-based temperature sensor with reduced process variation sensitivity

Energy Technology Data Exchange (ETDEWEB)

Tie Meng; Cheng Xu, E-mail: tiemeng@mprc.pku.edu.c [Microprocessor Research and Development Center, Peking University, Beijing 100871 (China)

2009-04-15

An innovative, thermally-insensitive phenomenon of cascaded cross-coupled structures is found. And a novel CMOS temperature sensor based on a cross-coupled structure is proposed. This sensor consists of two different ring oscillators. The first ring oscillator generates pulses that have a period, changing linearly with temperature. Instead of using the system clock like in traditional sensors, the second oscillator utilizes a cascaded cross-coupled structure to generate temperature independent pulses to capture the result from the first oscillator. Due to the compensation between the two ring oscillators, errors caused by supply voltage variations and systematic process variations are reduced. The layout design of the sensor is based on the TSMC13G process standard cell library. Only three inverters are modified for proper channel width tuning without any other custom design. This allows for an easy integration of the sensor into cell-based chips. Post-layout simulations results show that an error lower than +-1.1 deg. C can be achieved in the full temperature range from -40 to 120 deg. C. As shown by SPICE simulations, the thermal insensitivity of the cross-coupled inverters can be realized for various TSMC technologies: 0.25 mum, 0.18 mum, 0.13 mum, and 65 nm.

Excitonic energy transfer in light-harvesting complexes in purple bacteria

International Nuclear Information System (INIS)

Ye Jun; Sun Kewei; Zhao Yang; Lee, Chee Kong; Yu Yunjin; Cao Jianshu

2012-01-01

Two distinct approaches, the Frenkel-Dirac time-dependent variation and the Haken-Strobl model, are adopted to study energy transfer dynamics in single-ring and double-ring light-harvesting (LH) systems in purple bacteria. It is found that the inclusion of long-range dipolar interactions in the two methods results in significant increase in intra- or inter-ring exciton transfer efficiency. The dependence of exciton transfer efficiency on trapping positions on single rings of LH2 (B850) and LH1 is similar to that in toy models with nearest-neighbor coupling only. However, owing to the symmetry breaking caused by the dimerization of BChls and dipolar couplings, such dependence has been largely suppressed. In the studies of coupled-ring systems, both methods reveal an interesting role of dipolar interactions in increasing energy transfer efficiency by introducing multiple intra/inter-ring transfer paths. Importantly, the time scale (4 ps) of inter-ring exciton transfer obtained from polaron dynamics is in good agreement with previous studies. In a double-ring LH2 system, non-nearest neighbor interactions can induce symmetry breaking, which leads to global and local minima of the average trapping time in the presence of a non-zero dephasing rate, suggesting that environment dephasing helps preserve quantum coherent energy transfer when the perfect circular symmetry in the hypothetic system is broken. This study reveals that dipolar coupling between chromophores may play an important role in the high energy transfer efficiency in the LH systems of purple bacteria and many other natural photosynthetic systems.

Excitonic energy transfer in light-harvesting complexes in purple bacteria

Energy Technology Data Exchange (ETDEWEB)

Ye Jun; Sun Kewei; Zhao Yang; Lee, Chee Kong [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Yu Yunjin [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); College of Physics Science and Technology, Shenzhen University, Guangdong 518060 (China); Cao Jianshu [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

2012-06-28

Two distinct approaches, the Frenkel-Dirac time-dependent variation and the Haken-Strobl model, are adopted to study energy transfer dynamics in single-ring and double-ring light-harvesting (LH) systems in purple bacteria. It is found that the inclusion of long-range dipolar interactions in the two methods results in significant increase in intra- or inter-ring exciton transfer efficiency. The dependence of exciton transfer efficiency on trapping positions on single rings of LH2 (B850) and LH1 is similar to that in toy models with nearest-neighbor coupling only. However, owing to the symmetry breaking caused by the dimerization of BChls and dipolar couplings, such dependence has been largely suppressed. In the studies of coupled-ring systems, both methods reveal an interesting role of dipolar interactions in increasing energy transfer efficiency by introducing multiple intra/inter-ring transfer paths. Importantly, the time scale (4 ps) of inter-ring exciton transfer obtained from polaron dynamics is in good agreement with previous studies. In a double-ring LH2 system, non-nearest neighbor interactions can induce symmetry breaking, which leads to global and local minima of the average trapping time in the presence of a non-zero dephasing rate, suggesting that environment dephasing helps preserve quantum coherent energy transfer when the perfect circular symmetry in the hypothetic system is broken. This study reveals that dipolar coupling between chromophores may play an important role in the high energy transfer efficiency in the LH systems of purple bacteria and many other natural photosynthetic systems.

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)

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.

Structure and magnetic exchange coupling of iron based trilayers

International Nuclear Information System (INIS)

Mendus, T.

1998-12-01

A study of the structural and magnetic properties of Fe based magnetic trilayers is presented. Sample preparation conditions were altered to achieve the best growth conditions and their effect on the magnetic properties determined. Structural information was obtained from RHEED, AES, STM and MEIS; this is believed to be the first time that MEIS has been used to look at this sort of sample. Magnetic characterisation was determined by MOKE with particular interest paid to the biquadratic coupling. The determination of magnetic coupling as a function of sample morphology was studied oil a series of Fe/Cr/Fe samples. Fe/Au/Fe samples oil MgO substrates were also prepared to facilitate MEIS studies. Results indicate that tile fluctuation model best describes tile observed biquadratic coupling in Fe/Cr/Fe trilayers and that the presence of clean, sharp interfaces is required. Annealing and growth at elevated temperature cause interdiffusion at the interfaces, weakening the biquadratic coupling. MEIS structural data from MgO/Fe/Au/Fe samples shows that tile layer structure is dependent oil thickness. There is an apparent reorganisation of tile Au interlayer between a 'bcc'-Iike phase towards tile bulk fcc phase as the layer thickness increases. MEIS is shown to be a very sensitive probe of the crystalline quality and is a powerful probe for the determination of postdeposition sample morphology. Results from an EC collaboration investigating Co/Cr/Co trilayers are also presented. They showed that interlayer coupling and anisotropy of the samples were very sensitive to the preparation conditions. A decrease in the coupling strength is found for sample growth under non-ideal conditions (growth in an applied field, growth at an angle and delays between layer growth). (author)

Microstrip Cross-coupled Interdigital SIR Based Bandpass Filter

Directory of Open Access Journals (Sweden)

R. K. Maharjan

2012-09-01

Full Text Available A simple and compact 4.9 GHz bandpass filter for C-band applications is proposed. This paper presents a novel microstrip cross-coupled interdigital half-wavelength stepped impedance resonator (SIR based bandpass filter (BPF.The designed structure is similar to that of a combination of two parallel interdigital capacitors. The scattering parameters of the structure are measured using vector network analyzer (VNA. The self generated capacitive and inductive reactances within the interdigital resonators exhibited in a resonance frequency of 4.9 GHz. The resonant frequency and bandwidth of the capacitive cross-coupled resonator is directly optimized from the physical arrangement of the resonators. The measured insertion loss (S21 and return loss (S11 were 0.3 dB and 28 dB, respectively, at resonance frequency which were almost close to the simulation results.

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.

Coupling between chip based isotachophoresis and multi-collector inductively coupled plasma mass spectrometry for separation and measurement of lanthanides

International Nuclear Information System (INIS)

Vio, Laurent; Cretier, Gerard; Rocca, Jean-Louis; Chartier, Frederic; Geertsen, Valerie; Gourgiotis, Alkiviadis; Isnard, Helene; Morin, Pierre

2012-01-01

This paper presents the conception and fabrication of a micro-system for lanthanides separation and its coupling with a multi-collector inductively coupled plasma mass spectrometer for isotope ratio measurements. The lanthanides separation is based on the isotachophoresis technique and the micro-system conception has been adapted in order to fit with glove box limitations in view of future spent nuclear fuels analysis. The micro-device was tested by using a mixture of standard solutions of natural elements and the separation of 13 lanthanides was successfully performed. The micro-device was then coupled to a multi-collector inductively coupled plasma mass spectrometer for the on-line measurements of Nd and Sm isotope ratios. The isotopes of Nd and Sm were acquired online in multi-collection mode after separation of the two elements with an injection amount of 5 ng. Results obtained on the Nd and Sm isotope ratio measurements on transient signals are presented and discussed. (authors)

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

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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.

Seniority-based coupled cluster theory

International Nuclear Information System (INIS)

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

2014-01-01

Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that needed for full configuration interaction. However, the scaling of such calculations remains combinatorial with system size. Pair coupled cluster doubles (pCCD) is very successful in reproducing DOCI energetically, but can do so with low polynomial scaling (N 3 , disregarding the two-electron integral transformation from atomic to molecular orbitals). We show here several examples illustrating the success of pCCD in reproducing both the DOCI energy and wave function and show how this success frequently comes about. What DOCI and pCCD lack are an effective treatment of dynamic correlations, which we here add by including higher-seniority cluster amplitudes which are excluded from pCCD. This frozen pair coupled cluster approach is comparable in cost to traditional closed-shell coupled cluster methods with results that are competitive for weakly correlated systems and often superior for the description of strongly correlated systems

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.

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.

Investigation on coupling error characteristics in angular rate matching based ship deformation measurement approach

Science.gov (United States)

Yang, Shuai; Wu, Wei; Wang, Xingshu; Xu, Zhiguang

2018-01-01

The coupling error in the measurement of ship hull deformation can significantly influence the attitude accuracy of the shipborne weapons and equipments. It is therefore important to study the characteristics of the coupling error. In this paper, an comprehensive investigation on the coupling error is reported, which has a potential of deducting the coupling error in the future. Firstly, the causes and characteristics of the coupling error are analyzed theoretically based on the basic theory of measuring ship deformation. Then, simulations are conducted for verifying the correctness of the theoretical analysis. Simulation results show that the cross-correlation between dynamic flexure and ship angular motion leads to the coupling error in measuring ship deformation, and coupling error increases with the correlation value between them. All the simulation results coincide with the theoretical analysis.

AREVA main steam line break fully coupled methodology based on CATHARE-ARTEMIS - 15496

International Nuclear Information System (INIS)

Denis, L.; Jasserand, L.; Tomatis, D.; Segond, M.; Royere, C.; Sauvage, J.Y.

2015-01-01

The CATHARE code developed since 1979 by AREVA, CEA, EDF and IRSN is one of the major thermal-hydraulic system codes worldwide. In order to have at disposal realistic methodologies based on CATHARE for the whole transient and accident analysis in Chapter 15 of Safety Reports, a coupling with the code ARTEMIS was developed. ARTEMIS is the core code in AREVA's new reactor simulator system ARCADIA, using COBRA-FLX to model the thermal-hydraulics in the core. The Fully Coupled Methodology was adapted to the CATHARE-ARTEMIS coupling to perform Main Steam Line Break studies. This methodology, originally applied to the MANTA-SMART-FLICA coupling, is dedicated to Main Steam Line Break transients at zero power. The aim of this paper is to present the coupling between CATHARE and ARTEMIS and the application of the Fully Coupled Methodology in a different code environment. (authors)

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

Prelude to THEMIS tail conjunction study

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A. T. Y. Lui

2007-05-01

Full Text Available A close conjunction of several satellites (LANL, GOES, Polar, Geotail, and Cluster distributed from the geostationary altitude to about 16 R_E downstream in the tail occurred during substorm activity as indicated by global auroral imaging and ground-based magnetometer data. This constellation of satellites resembles what is planned for the THEMIS (Time History of Events and Macroscopic Interactions during Substorms mission to resolve the substorm controversy on the location of the substorm expansion onset region. In this article, we show in detail the dipolarization and dynamic changes seen by these satellites associated with two onsets of substorm intensification activity. In particular, we find that dipolarization at ~16 R_E downstream in the tail can occur with dawnward electric field and without plasma flow, just like some near-Earth dipolarization events reported previously. The spreading of substorm disturbances in the tail coupled with complementary ground observations indicates that the observed time sequence on the onsets of substorm disturbances favors initiation in the near-Earth region for this THEMIS-like conjunction.

Transitions between states of magnetotail–ionosphere coupling and the role of solar wind dynamic pressure: the 25 July 2004 interplanetary CME case

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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

Structure-based drug design for G protein-coupled receptors.

Science.gov (United States)

Congreve, Miles; Dias, João M; Marshall, Fiona H

2014-01-01

Our understanding of the structural biology of G protein-coupled receptors has undergone a transformation over the past 5 years. New protein-ligand complexes are described almost monthly in high profile journals. Appreciation of how small molecules and natural ligands bind to their receptors has the potential to impact enormously how medicinal chemists approach this major class of receptor targets. An outline of the key topics in this field and some recent examples of structure- and fragment-based drug design are described. A table is presented with example views of each G protein-coupled receptor for which there is a published X-ray structure, including interactions with small molecule antagonists, partial and full agonists. The possible implications of these new data for drug design are discussed. © 2014 Elsevier B.V. All rights reserved.

Long-Distance Entanglement of Spin Qubits via Ferromagnet

Directory of Open Access Journals (Sweden)

Luka Trifunovic

2013-12-01

Full Text Available We propose a mechanism of coherent coupling between distant spin qubits interacting dipolarly with a ferromagnet. We derive an effective two-spin interaction Hamiltonian and find a regime where the dynamics is coherent. Finally, we present a sequence for the implementation of the entangling controlled-not gate and estimate the corresponding operation time to be a few tens of nanoseconds. A particularly promising application of our proposal is to atomistic spin qubits such as silicon-based qubits and nitrogen-vacancy centers in diamond to which existing coupling schemes do not apply.

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.

Formulation analysis and computation of an optimization-based local-to-nonlocal coupling method.

Energy Technology Data Exchange (ETDEWEB)

D' Elia, Marta [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Computing Research; Bochev, Pavel Blagoveston [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Computing Research

2017-01-01

In this paper, we present an optimization-based coupling method for local and nonlocal continuum models. Our approach couches the coupling of the models into a control problem where the states are the solutions of the nonlocal and local equations, the objective is to minimize their mismatch on the overlap of the local and nonlocal problem domains, and the virtual controls are the nonlocal volume constraint and the local boundary condition. We present the method in the context of Local-to-Nonlocal di usion coupling. Numerical examples illustrate the theoretical properties of the approach.

Measures of Coupling between Neural Populations Based on Granger Causality Principle.

Science.gov (United States)

Kaminski, Maciej; Brzezicka, Aneta; Kaminski, Jan; Blinowska, Katarzyna J

2016-01-01

This paper shortly reviews the measures used to estimate neural synchronization in experimental settings. Our focus is on multivariate measures of dependence based on the Granger causality (G-causality) principle, their applications and performance in respect of robustness to noise, volume conduction, common driving, and presence of a "weak node." Application of G-causality measures to EEG, intracranial signals and fMRI time series is addressed. G-causality based measures defined in the frequency domain allow the synchronization between neural populations and the directed propagation of their electrical activity to be determined. The time-varying G-causality based measure Short-time Directed Transfer Function (SDTF) supplies information on the dynamics of synchronization and the organization of neural networks. Inspection of effective connectivity patterns indicates a modular structure of neural networks, with a stronger coupling within modules than between them. The hypothetical plausible mechanism of information processing, suggested by the identified synchronization patterns, is communication between tightly coupled modules intermitted by sparser interactions providing synchronization of distant structures.

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.

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.

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

Adjustable ferromagnetic resonance frequency in CoO/CoFeB system

Energy Technology Data Exchange (ETDEWEB)

Bonneau-Brault, A. [CEA Le Ripault, BP16, 37260 Monts (France); GREMAN, CNRS UMR 7347, University of Tours, 37200 Tours (France); Dubourg, S. [CEA Le Ripault, BP16, 37260 Monts (France); Thiaville, A. [LPS, CNRS UMR 8502, University of Paris-Sud, 91405 Orsay Cedex (France); Rioual, S. [LMB EA4522, University of Brest, 6 av. Le Gorgeu, 29238 Brest Cedex 3 (France); Valente, D. [GREMAN, CNRS UMR 7347, University of Tours, 37200 Tours (France)

2015-01-21

Static and dynamic properties of (CoO/CoFeB){sub n} multilayers have been investigated. An anisotropy field enhancement was evidenced when the CoO layer was deposited under the CoFeB layer. Tuning the relative CoFeB and CoO layers thicknesses, high ferromagnetic resonance frequencies up to 4 GHz were achieved. The coupling effect between the CoO and CoFeB layers was induced by a dipolar coupling due to the anisotropic roughness topology of the CoO layer. This anisotropic roughness was induced by the deposition geometry and evidenced by atomic force microscopy. The strength of the dipolar interfacial coupling was calculated thanks to Schlömann's model. Multilayer stacks were fabricated and the magnetic properties observed for the trilayers could be maintained.

Adjustable ferromagnetic resonance frequency in CoO/CoFeB system

International Nuclear Information System (INIS)

Bonneau-Brault, A.; Dubourg, S.; Thiaville, A.; Rioual, S.; Valente, D.

2015-01-01

Static and dynamic properties of (CoO/CoFeB) n multilayers have been investigated. An anisotropy field enhancement was evidenced when the CoO layer was deposited under the CoFeB layer. Tuning the relative CoFeB and CoO layers thicknesses, high ferromagnetic resonance frequencies up to 4 GHz were achieved. The coupling effect between the CoO and CoFeB layers was induced by a dipolar coupling due to the anisotropic roughness topology of the CoO layer. This anisotropic roughness was induced by the deposition geometry and evidenced by atomic force microscopy. The strength of the dipolar interfacial coupling was calculated thanks to Schlömann's model. Multilayer stacks were fabricated and the magnetic properties observed for the trilayers could be maintained

Characterizing Radiation-Aged Polysiloxane-Silica Composites: Identifying Changes in Network Topology via 1H NMR

International Nuclear Information System (INIS)

Mayer, B.; Chinn, S.C.; Maxwell, R.S.; Reimer, J.

2008-01-01

Characterizing and quantifying changes in elastomeric materials upon exposure to harsh environments is important in the estimation of device lifetimes. Nuclear magnetic resonance (NMR) spectroscopy has been used effectively in the analysis of such materials and has proved to be both sensitive to micro- and macroscopic changes associated with material 'aging'. Traditional analyses, however, rely on empirical formulae containing a large number of (often arbitrary) independent variables. This ambiguity can be circumvented largely by developing models of NMR observables that are based on basic polymer physics. We compare two such models, one previously published and one derived herein, along with empirical expressions that describe the proton transverse magnetization decay associated with complex polymer networks. One particular extracted parameter, the proton-proton residual dipolar coupling (RDC), can be directly related to network topology, and a comparison of the extracted RDCs reveals high consistency among the models. An expression derived from the properties of a static Gaussian chain can minimize the number of parameters necessarily to describe the solid-like, networked proton population to a single independent parameter, the average residual dipolar coupling, D avg .

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

Science.gov (United States)

Pahar, Gourabananda; Dhar, Anirban

2017-04-01

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

A Plasmonic Temperature-Sensing Structure Based on Dual Laterally Side-Coupled Hexagonal Cavities

Directory of Open Access Journals (Sweden)

Yiyuan Xie

2016-05-01

Full Text Available A plasmonic temperature-sensing structure, based on a metal-insulator-metal (MIM waveguide with dual side-coupled hexagonal cavities, is proposed and numerically investigated by using the finite-difference time-domain (FDTD method in this paper. The numerical simulation results show that a resonance dip appears in the transmission spectrum. Moreover, the full width of half maximum (FWHM of the resonance dip can be narrowed down, and the extinction ratio can reach a maximum value by tuning the coupling distance between the waveguide and two cavities. Based on a linear relationship between the resonance dip and environment temperature, the temperature-sensing characteristics are discussed. The temperature sensitivity is influenced by the side length and the coupling distance. Furthermore, for the first time, two concepts—optical spectrum interference (OSI and misjudge rate (MR—are introduced to study the temperature-sensing resolution based on spectral interrogation. This work has some significance in the design of nanoscale optical sensors with high temperature sensitivity and a high sensing resolution.

Home-Based HIV Testing and Counseling for Male Couples (Project Nexus): A Protocol for a Randomized Controlled Trial.

Science.gov (United States)

Stephenson, Rob; Freeland, Ryan; Sullivan, Stephen P; Riley, Erin; Johnson, Brent A; Mitchell, Jason; McFarland, Deborah; Sullivan, Patrick S

2017-05-30

HIV prevalence remains high among men who have sex with men (MSM) in the United States, yet the majority of research has focused on MSM as individuals, not as dyads, and has discussed HIV risks primarily in the context of casual sex. Nexus is an online prevention program that combines home-based HIV testing and couples HIV testing and counseling (CHTC). It allows partners in dyadic MSM relationships to receive HIV testing and care in the comfort of their designated residence, via video-based chat. By using video-based technologies (eg, VSee video chat), male couples receive counseling and support from a remote online counselor, while testing for HIV at home. This randomized control trial (RCT) aims to examine the effects of video-based counseling combined with home-based HIV testing on couples' management of HIV risk, formation and adherence to explicit sexual agreements, and sexual risk-taking. The research implements a prospective RCT of 400 online-recruited male couples: 200 self-reported concordant-negative couples and 200 self-reported discordant couples. Couples in the control arm will receive one or two home-based HIV self-testing kits and will be asked to report their results via the study's website. Couples in the experimental arm will receive one or two home-based HIV self-testing kits and will conduct these tests together under the facilitation of a remotely located counselor during a prescheduled VSee-based video CHTC session. Study assessments are taken at baseline, as well as at 3- and 6-month follow-up sessions. Project Nexus was launched in April 2016 and is ongoing. To date, 219 eligible couples have been enrolled and randomized. Combining home-based HIV testing with video-based counseling creates an opportunity to expand CHTC to male couples who (1) live outside metro areas, (2) live in rural areas without access to testing services or LGBTQ resources, or (3) feel that current clinic-based testing is not for them (eg, due to fears of

Nonequilibrium molecular dynamics simulation of coupling between nanoparticles and base-fluid in a nanofluid

International Nuclear Information System (INIS)

Kang, Hongbo; Zhang, Yuwen; Yang, Mo; Li, Ling

2012-01-01

The intent of this study is to examine nonequilibrium heat transfer in a copper–argon nanofluid by molecular dynamics simulation. Two different methods, the physical definition method and the curve fitting method, are introduced to calculate the coupling factor between nanoparticles and base fluid. The results show that the coupling factors obtained by these two methods are consistent. The coupling factor is proportional to the volume fraction of the nanoparticle and inversely proportional to nanoparticle diameter. In the temperature range of 90–200 K, the coupling factor is not affected by temperature. The nanoparticle aggregation results in a decrease of the coupling factor. -- Highlights: ► Nonequilibrium heat transfer in a copper–argon nanofluid is investigated by molecular dynamics simulation. ► The coupling factor is proportion to the volume fraction of the nanoparticle and inverse proportion to nanoparticle diameter. ► In the temperature range of 90–200 K, there is no temperature effect on the coupling factor. ► The nanoparticle aggregation results in a decrease of the coupling factor.

Solvent Effects on Nuclear Magnetic Resonance 2J(C,Hf and 1J(C,Hf Spin–Spin Coupling Constants in Acetaldehyde

Directory of Open Access Journals (Sweden)

Angel Esteban

2003-02-01

Full Text Available Abstract: The known solvent dependence of 1J(Cc,Hf and 2J(C1,Hf couplings in acetaldehyde is studied from a theoretical viewpoint based on the density functional theory approach where the dielectric solvent effect is taken into account with the polarizable continuum model. The four terms of scalar couplings, Fermi contact, paramagnetic spin orbital, diamagnetic spin orbital and spin dipolar, are calculated but the solvent effect analysis is restricted to the first term since for both couplings it is by far the dominant contribution. Experimental trends of Δ1J(Cc,Hf and Δ2J(C1,Hf Vs ε (the solvent dielectric constant are correctly reproduced although they are somewhat underestimated. Specific interactions between solute and solvent molecules are studied for dimethylsulfoxide, DMSO, solutions considering two different one-to-one molecular complexes between acetaldehyde and DMSO. They are determined by interactions of type C=O---H---C and S=O---H---C, and the effects of such interactions on 1J(Cc,Hf and 2J(C1,Hf couplings are analyzed. Even though only in a semiquantitative way, it is shown that the effect of such interactions on the solvent effects, of Δ1J(Cc,Hf and Δ2J(C1,Hf, tend to improve the agreement between calculated and experimental values. These results seem to indicate that a continuum dielectric model has not enough flexibility for describing quantitatively solvent effects on spin-spin couplings. Apparently, even for relatively weak hydrogen bonding, the contribution from “direct” interactions is of the same order of magnitude as the “dielectric” effect.

Bosonic and fermionic dipoles on a ring

DEFF Research Database (Denmark)

Zöllner, Sascha; Pethick, C. J.; Bruun, Georg Morten

2011-01-01

We show that dipolar bosons and fermions confined in a quasi-one-dimensional ring trap exhibit a rich variety of states because their interaction is inhomogeneous. For purely repulsive interactions, with increasing strength of the dipolar coupling there is a crossover from a gaslike state...... to an inhomogeneous crystal-like one. For small enough angles between the dipoles and the plane of the ring, there are regions with attractive interactions, and clustered states can form....

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

Science.gov (United States)

Lee, Timothy J.; Arnold, James O. (Technical Monitor)

1994-01-01

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

Radiative capture reactions and spectroscopy of multipolar anions in the framework of Gamow Shell Model

International Nuclear Information System (INIS)

Fossez, Kevin

2014-01-01

Small open quantum systems, whose properties are profoundly affected by the environment of continuum states, are intensely studied in various fields of Physics: nuclear physics, atomic and molecular physics, quantum optics, etc. These different many-body systems, in spite of their specific features, have generic properties which are common to all weakly bound or unbound systems close to the threshold. Coupling to the continuum is essential to describe the low-energy nuclear reactions of astrophysical interest, the formation of halo states in nuclei, atomic clusters and dipolar anions, or the near-threshold two neutron and alpha particle correlations (clustering). Recently, the open quantum system extension of the nuclear shell model, the Gamow shell model (GSM), based on the Berggren ensemble, has been applied successfully for the description of resonant states spectra in atomic nuclei. The coupled-channel formulation of the GSM (GSM-CC) allows to describe various low-energy nuclear reactions. In this work, the GSM-CC is formulated and applied for the description of proton/neutron radiative capture reactions of astrophysical interest, such as: 17 F(p, γ) 18 Ne, 7 Be(p, γ) 8 B and 7 Li(n, γ) 8 Li. Moreover, for the first time, the GSM has been applied in atomic physics for the description of spectra of dipolar anions. Systematic investigation of the hydrogen cyanide dipolar anion (HCN - ) allowed to identify the collective bands of states both in the strong coupling regime, for weakly bound halo states, and in the weak coupling regime above the dissociation threshold. In the strong coupling regime, K J = 0 anion a rotational band has been found. Above the threshold, K J quantum number is not conserved. Resonances in this regime form rotational bands according to the angular momentum of the rotating molecule, whereas the band head energies and the lifetimes depend predominantly on the external electron wave function. (author) [fr

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.

We-Language and Sustained Reductions in Drinking in Couple-Based Treatment for Alcohol Use Disorders.

Science.gov (United States)

Hallgren, Kevin A; McCrady, Barbara S

2016-03-01

Couple-based treatments for alcohol use disorders (AUDs) produce higher rates of abstinence than individual-based treatments and posit that active involvement of both identified patients (IPs) and significant others (SOs) is partly responsible for these improvements. Separate research on couples' communication has suggested that pronoun usage can indicate a communal approach to coping with health-related problems. The present study tested whether communal coping, indicated by use of more first-person plural pronouns ("we" language), fewer second-person pronouns ("you" language), and fewer first-person singular pronouns ("I" language), predicted improvements in abstinence in couple-based AUD treatment. Pronoun use was measured in first- and mid-treatment sessions for 188 heterosexual couples in four clinical trials of alcohol behavioral couple therapy (ABCT). Percentages of days abstinent were assessed during treatment and over a 6-month follow-up period. Greater IP and SO "we" language during both sessions was correlated with greater improvement in abstinent days during treatment. Greater SO "we" language during first- and mid-treatment sessions was correlated with greater improvement in abstinence at follow-up. Greater use of IP and SO "you" and "I" language had mixed correlations with abstinence, typically being unrelated to or predicting less improvement in abstinence. When all pronoun variables were entered into regression models, only greater IP "we" langue and lower IP "you" language predicted improvements in abstinence during treatment, and only SO "we" language predicted improvements during follow-up. Most pronoun categories had little or no association with baseline relationship distress. Results suggest that communal coping predicts better abstinence outcomes in couple-based AUD treatment. © 2015 Family Process Institute.

The Circuit Theory Behind Coupled-Mode Magnetic Resonance-Based Wireless Power Transmission.

Science.gov (United States)

Kiani, Mehdi; Ghovanloo, Maysam

2012-09-01

Inductive coupling is a viable scheme to wirelessly energize devices with a wide range of power requirements from nanowatts in radio frequency identification tags to milliwatts in implantable microelectronic devices, watts in mobile electronics, and kilowatts in electric cars. Several analytical methods for estimating the power transfer efficiency (PTE) across inductive power transmission links have been devised based on circuit and electromagnetic theories by electrical engineers and physicists, respectively. However, a direct side-by-side comparison between these two approaches is lacking. Here, we have analyzed the PTE of a pair of capacitively loaded inductors via reflected load theory (RLT) and compared it with a method known as coupled-mode theory (CMT). We have also derived PTE equations for multiple capacitively loaded inductors based on both RLT and CMT. We have proven that both methods basically result in the same set of equations in steady state and either method can be applied for short- or midrange coupling conditions. We have verified the accuracy of both methods through measurements, and also analyzed the transient response of a pair of capacitively loaded inductors. Our analysis shows that the CMT is only applicable to coils with high quality factor ( Q ) and large coupling distance. It simplifies the analysis by reducing the order of the differential equations by half compared to the circuit theory.

Evidence-Based Care for Couples With Infertility.

Science.gov (United States)

Stevenson, Eleanor L; Hershberger, Patricia E; Bergh, Paul A

2016-01-01

When couples cannot achieve pregnancy, they often seek health care from medical and nursing specialists. The care the couple receives begins with a thorough assessment to determine the possible cause of infertility and to plan appropriate care to ensure the best chance for the couple to have a biological child. In this article, we provide an overview of the etiology and evaluation of infertility, the various treatment options available, and the appropriate clinical implications. Copyright © 2016 AWHONN, the Association of Women's Health, Obstetric and Neonatal Nurses. Published by Elsevier Inc. All rights reserved.

Effects of a Randomized Couple-Based Intervention on Quality of Life of Breast Cancer Patients and Their Partners

Science.gov (United States)

Kayser, Karen; Feldman, Barry N.; Borstelmann, Nancy A.; Daniels, Ann A.

2010-01-01

The purpose of this study was to determine the effectiveness of a couple-based intervention on the quality of life (QOL) of early-stage breast cancer patients and their partners. A randomized controlled design was used to assign couples to either the hospital standard social work services (SSWS) or a couple-based intervention, the Partners in…

A Newton-based Jacobian-free approach for neutronic-Monte Carlo/thermal-hydraulic static coupled analysis

International Nuclear Information System (INIS)

Mylonakis, Antonios G.; Varvayanni, M.; Catsaros, N.

2017-01-01

Highlights: •A Newton-based Jacobian-free Monte Carlo/thermal-hydraulic coupling approach is introduced. •OpenMC is coupled with COBRA-EN with a Newton-based approach. •The introduced coupling approach is tested in numerical experiments. •The performance of the new approach is compared with the traditional “serial” coupling approach. -- Abstract: In the field of nuclear reactor analysis, multi-physics calculations that account for the bonded nature of the neutronic and thermal-hydraulic phenomena are of major importance for both reactor safety and design. So far in the context of Monte-Carlo neutronic analysis a kind of “serial” algorithm has been mainly used for coupling with thermal-hydraulics. The main motivation of this work is the interest for an algorithm that could maintain the distinct treatment of the involved fields within a tight coupling context that could be translated into higher convergence rates and more stable behaviour. This work investigates the possibility of replacing the usually used “serial” iteration with an approximate Newton algorithm. The selected algorithm, called Approximate Block Newton, is actually a version of the Jacobian-free Newton Krylov method suitably modified for coupling mono-disciplinary solvers. Within this Newton scheme the linearised system is solved with a Krylov solver in order to avoid the creation of the Jacobian matrix. A coupling algorithm between Monte-Carlo neutronics and thermal-hydraulics based on the above-mentioned methodology is developed and its performance is analysed. More specifically, OpenMC, a Monte-Carlo neutronics code and COBRA-EN, a thermal-hydraulics code for sub-channel and core analysis, are merged in a coupling scheme using the Approximate Block Newton method aiming to examine the performance of this scheme and compare with that of the “traditional” serial iterative scheme. First results show a clear improvement of the convergence especially in problems where significant

Complex between lignin and a Ti-based coupling agent

DEFF Research Database (Denmark)

Rasmussen, Jonas Stensgaard; Barsberg, Søren Talbro; Felby, Claus

2014-01-01

-fourier transform infrared spectroscopy in combination with first principle predictions based on the density functional theory (DFT). In the infrared spectra, a new band at 1586 cm-1 was identified and the DFT predictions confirmed that the new band is because of the covalent bonds in the form of ether linkages...... coating formulations would have a better performance if the adhesion to wood could be improved. In the present work, the chemical interaction between a titanium-based coupling agent, isopropyl triisostearoyl titanate (titanium agent, TA) and lignin has been studied by means of attenuated total reflectance...

Atom-Pair Kinetics with Strong Electric-Dipole Interactions.

Science.gov (United States)

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

2016-05-27

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

Measuring the coupled risks: A copula-based CVaR model

Science.gov (United States)

He, Xubiao; Gong, Pu

2009-01-01

Integrated risk management for financial institutions requires an approach for aggregating risk types (such as market and credit) whose distributional shapes vary considerably. The financial institutions often ignore risks' coupling influence so as to underestimate the financial risks. We constructed a copula-based Conditional Value-at-Risk (CVaR) model for market and credit risks. This technique allows us to incorporate realistic marginal distributions that capture essential empirical features of these risks, such as skewness and fat-tails while allowing for a rich dependence structure. Finally, the numerical simulation method is used to implement the model. Our results indicate that the coupled risks for the listed company's stock maybe are undervalued if credit risk is ignored, especially for the listed company with bad credit quality.

Education-based health inequalities in 18,000 Norwegian couples: the Nord-Trøndelag Health Study (HUNT

Directory of Open Access Journals (Sweden)

Nilsen Sara

2012-11-01

Full Text Available Abstract Background Education-based inequalities in health are well established, but they are usually studied from an individual perspective. However, many individuals are part of a couple. We studied education-based health inequalities from the perspective of couples where indicators of health were measured by subjective health, anxiety and depression. Methods A sample of 35,980 women and men (17,990 couples was derived from the Norwegian Nord-Trøndelag Health Study 1995–97 (HUNT 2. Educational data and family identification numbers were obtained from Statistics Norway. The dependent variables were subjective health (four-integer scale, anxiety (21-integer scale and depression (21-integer scale, which were captured using the Hospital Anxiety and Depression Scale. The dependent variables were rescaled from 0 to 100 where 100 was the worst score. Cross-sectional analyses were performed using two-level linear random effect regression models. Results The variance attributable to the couple level was 42% for education, 16% for subjective health, 19% for anxiety and 25% for depression. A one-year increase in education relative to that of one’s partner was associated with an improvement of 0.6 scale points (95% confidence interval = 0.5–0.8 in the subjective health score (within-couple coefficient. A one-year increase in a couple’s average education was associated with an improvement of 1.7 scale points (95% confidence interval = 1.6–1.8 in the subjective health score (between-couple coefficient. There were no education-based differences in the anxiety or depression scores when partners were compared, whereas there were substantial education-based differences between couples in all three outcome measures. Conclusions We found considerable clustering of education and health within couples, which highlighted the importance of the family environment. Our results support previous studies that report the mutual effects of spouses on

Measures of coupling between neural populations based on Granger causality principle

Directory of Open Access Journals (Sweden)

Maciej Kaminski

2016-10-01

Full Text Available This paper shortly reviews the measures used to estimate neural synchronization in experimental settings. Our focus is on multivariate measures of dependence based on the Granger causality (G-causality principle, their applications and performance in respect of robustness to noise, volume conduction, common driving, and presence of a weak node. Application of G-causality measures to EEG, intracranial signals and fMRI time series is addressed. G-causality based measures defined in the frequency domain allow the synchronization between neural populations and the directed propagation of their electrical activity to be determined. The time-varying G-causality based measure Short-time Directed Transfer Function (SDTF supplies information on the dynamics of synchronization and the organization of neural networks. Inspection of effective connectivity patterns indicates a modular structure of neural networks, with a stronger coupling within modules than between them. The hypothetical plausible mechanism of information processing, suggested by the identified synchronization patterns, is communication between tightly coupled modules intermitted by sparser interactions providing synchronization of distant structures.

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.

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.

Coupling analysis of wind turbine blades based on aeroelastics and aerodynsmics

DEFF Research Database (Denmark)

Wang, Xudong; Chen, Jin; Zhang, Shigiang

2010-01-01

The structural dynamic equations of blades were constructed for blades of wind turbines. The vibration velocity of blades and the relative flow velocity were calculated using the structural dynamics model. Based on the BEM (Blade Element Momentum) theory and traditional areodynamics, the coupling...

NMR magnetization exchange dynamics for three spin-1/2 systems

International Nuclear Information System (INIS)

Demco, D.E.; Filip, X.; Filip, C.

1997-01-01

The magnetization exchange dynamics in one-dimensional NMR exchange experiments performed with static samples is analyzed for the relevant case of three spin systems. The magnetization decays recorded in the experiments performed with different chemical shift filters for the short mixing times are derived analytically. In this regime the decay rates depend on the dipolar coupling between the spins belonging to different functional groups. The predictions of the theoretical model are compared with the magnetization exchange data obtained for cross-linked poly(styrene-co-butadiene) samples. The residual dipolar coupling between the functional CH- and CH2-groups of butadiene are measured from the magnetization exchange experiments in the short mixing time regime. (authors)

Quantum logic between remote quantum registers

Science.gov (United States)

Yao, N. Y.; Gong, Z.-X.; Laumann, C. R.; Bennett, S. D.; Duan, L.-M.; Lukin, M. D.; Jiang, L.; Gorshkov, A. V.

2013-02-01

We consider two approaches to dark-spin-mediated quantum computing in hybrid solid-state spin architectures. First, we review the notion of eigenmode-mediated unpolarized spin-chain state transfer and extend the analysis to various experimentally relevant imperfections: quenched disorder, dynamical decoherence, and uncompensated long-range coupling. In finite-length chains, the interplay between disorder-induced localization and decoherence yields a natural optimal channel fidelity, which we calculate. Long-range dipolar couplings induce a finite intrinsic lifetime for the mediating eigenmode; extensive numerical simulations of dipolar chains of lengths up to L=12 show remarkably high fidelity despite these decay processes. We further briefly consider the extension of the protocol to bosonic systems of coupled oscillators. Second, we introduce a quantum mirror based architecture for universal quantum computing that exploits all of the dark spins in the system as potential qubits. While this dramatically increases the number of qubits available, the composite operations required to manipulate dark-spin qubits significantly raise the error threshold for robust operation. Finally, we demonstrate that eigenmode-mediated state transfer can enable robust long-range logic between spatially separated nitrogen-vacancy registers in diamond; disorder-averaged numerics confirm that high-fidelity gates are achievable even in the presence of moderate disorder.

Diagnosis and Model Based Identification of a Coupling Misalignment

Directory of Open Access Journals (Sweden)

P. Pennacchi

2005-01-01

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

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)

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.

Nuclear magnetic resonance study of alkane conformational statistics

Science.gov (United States)

Burnell, E. Elliott; Weber, Adrian C. J.; de Lange, Cornelis A.; Meerts, W. Leo; Dong, Ronald Y.

2011-12-01

NMR spectra of ethane, propane, and n-butane as solutes in the nematic liquid crystals 4-n-pentyl-4'-cyanobiphenyl (5CB) and Merck ZLI 1132 (1132) are investigated over a wide temperature range. The ratios of dipolar couplings of ethane to propane are constant over the entire temperature range. Assuming that this constancy applies to the butane conformers facilitates the separation of probability from order parameter. This separation allows the investigation of conformational distribution without the need of invoking any model for the anisotropic intermolecular potential. The results give an order matrix that is consistent with that predicted from model potentials that describe the orientational potential in terms of short-range size and shape effects. The isotropic intermolecular potential contribution to the trans-gauche energy difference Etg is found to be temperature dependent with the values and variation in agreement with that found when the same results are analyzed using the chord model for anisotropic interactions [A. C. J. Weber and E. E. Burnell, Chem. Phys. Lett. 506, 196 (2011)]. The fit obtained for 9 spectra in 5CB (63 dipolar couplings) has an RMS difference between experimental and calculated dipolar couplings of 2.7 Hz, while that for the 16 spectra in 1132 (112 couplings) is 6.2 Hz; this excellent fit with nine adjustable parameters suggests that the assumption of equal temperature dependencies of the order parameters for ethane, propane, and each conformer of butane is correct. Also the fit parameters (Etg and the methyl angle increase) obtained for 1132 and 5CB agree. The results indicate that the chord model, which was designed to treat hydrocarbon chains, is indeed the model of choice for these chains. The temperature variation of Etg provides a challenge for theoreticians. Finally, even better fits to the experimental dipolar couplings are obtained when the energy in the Boltzmann factor is used for scaling ethane to butane results. However

Broadband Impedance Transformer Based on Asymmetric Coupled Transmission Lines in Nonhomogeneous Medium

DEFF Research Database (Denmark)

Zhurbenko, Vitaliy; Krozer, Viktor; Meincke, Peter

2007-01-01

A new broadband quarter-wavelength impedance transformer based on an asymmetric coupled line section is presented. The bandwidth of the coupled line transformer is extended with the help of an interconnecting transmission line. An analytical model for the transformer is developed. The analysis...... of the structure reveals that a fractional bandwidth of more than 100% at –20 dB reflection level can be achieved with such a structure. An experimental transformer circuit has been designed, fabricated and tested. Theoretical and experimental results are fair agreement and confirm the established theory...

Sequential and base rate analysis of emotional validation and invalidation in chronic pain couples: patient gender matters.

Science.gov (United States)

Leong, Laura E M; Cano, Annmarie; Johansen, Ayna B

2011-11-01

The purpose of this study was to examine the extent to which communication patterns that foster or hinder intimacy and emotion regulation in couples were related to pain, marital satisfaction, and depression in 78 chronic pain couples attempting to problem-solve an area of disagreement in their marriage. Sequences and base rates of validation and invalidation communication patterns were almost uniformly unrelated to adjustment variables unless patient gender was taken into account. Male patient couples' reciprocal invalidation was related to worse pain, but this was not found in female patient couples. In addition, spouses' validation was related to poorer patient pain and marital satisfaction, but only in couples with a male patient. It was not only the presence or absence of invalidation and validation that mattered (base rates), but the context and timing of these events (sequences) that affected patients' adjustment. This research demonstrates that sequences of interaction behaviors that foster and hinder emotion regulation should be attended to when assessing and treating pain patients and their spouses. This article presents analyses of both sequences and base rates of chronic pain couples' communication patterns, focusing on validation and invalidation. These results may potentially improve psychosocial treatments for these couples, by addressing sequential interactions of intimacy and empathy. Copyright © 2011 American Pain Society. Published by Elsevier Inc. All rights reserved.

A Couple-Based Psychological Treatment for Chronic Pain and Relationship Distress.

Science.gov (United States)

Cano, Annmarie; Corley, Angelia M; Clark, Shannon M; Martinez, Sarah C

2018-02-01

Chronic pain impacts individuals with pain as well as their loved ones. Yet, there has been little attention to the social context in individual psychological treatment approaches to chronic pain management. With this need in mind, we developed a couple-based treatment, "Mindful Living and Relating," aimed at alleviating pain and suffering by promoting couples' psychological and relational flexibility skills. Currently, there is no integrative treatment that fully harnesses the power of the couple, treating both the individual with chronic pain and the spouse as two individuals who are each in need of developing greater psychological and relational flexibility to improve their own and their partners' health. Mindfulness, acceptance, and values-based action exercises were used to promote psychological flexibility. The intervention also targets relational flexibility, which we define as the ability to interact with one's partner, fully attending to the present moment, and responding empathically in a way that serves one's own and one's partner's values. To this end, the intervention also included exercises aimed at applying psychological flexibility skills to social interactions as well as emotional disclosure and empathic responding exercises to enhance relational flexibility. The case presented demonstrates that healthy coping with pain and stress may be most successful and sustainable when one is involved in a supportive relationship with someone who also practices psychological flexibility skills and when both partners use relational flexibility skills during their interactions.

The Effects of a Couples-Based Health Behavior Intervention During Pregnancy on Latino Couples' Dyadic Satisfaction Postpartum.

Science.gov (United States)

Coop Gordon, Kristina; Roberson, Patricia N E; Hughes, Jessica A; Khaddouma, Alexander M; Swamy, Geeta K; Noonan, Devon; Gonzalez, Alicia M; Fish, Laura; Pollak, Kathryn I

2018-03-30

Many couples tend to report steadily decreasing relationship quality following the birth of a child. However, little is known about the postpartum period for Latino couples, a rapidly growing ethnic group who are notably underserved by mental and physical health caregivers in the United States. Thus, this study investigated whether a brief couples' intervention focused on helping couples support each other while increasing healthy behaviors might improve dyadic functioning postpartum. This study presents secondary analyses of data regarding couple functioning from a larger randomized controlled trial with 348 Latino couples to promote smoking cessation. Portions of the intervention taught the couple communication and problem-solving skills to increase healthy behavior. Couples participated in four face-to-face assessments across 1 year starting at the end of the first trimester. Latent growth curve analyses revealed that the treatment group reported an increase in relationship satisfaction and constructive communication after the intervention, which diminished by 1-year follow-up, returning couples to their baseline levels of satisfaction. Results suggest that incorporating a brief couple intervention as part of a larger health intervention for Latinos may prevent postpartum decreases in relationship satisfaction. © 2018 Family Process Institute.

Analyzing Sexual Health-Related Beliefs Among Couples in Marriage Based on the Health Belief Model

Directory of Open Access Journals (Sweden)

Majid Barati

2014-06-01

Full Text Available Introduction: Sexual health is the integrity between mind, emotions, and body, and any disorder leading to discoordination, can be associated with sexual dysfunction. The aim of this study was to investigate the beliefs of couples attending marriage counseling centers toward sexual health based on the health belief model. Materials and Methods: This cross sectional descriptive study was performed on 400 couples referring to marriage counseling centers of Hamadan recruited with a random sampling method. The participants completed a self-administered questionnaire including demographic characteristics, knowledge and health belief model constructs. Data analysis was performed using SPSS-16 software, by Pearson’s coefficient correlation, independent T-test, and one-way ANOVA. Results: Couples had a moderate knowledge of sexual health. In addition, perceived susceptibility and severity of the consequences of unsafe sexual behavior among couples were not satisfactory however, perceived benefits and barriers were reported in a relatively good level. Internet and friends were the most important sources for sexual health information. Conclusion: Promoting knowledge and beliefs toward sexual health by preparing training packages based on the needs of couples and removing obstacles to have normal sexual behavior are necessary.

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.

On the Nonlinear Behavior of the Piezoelectric Coupling on Vibration-Based Energy Harvesters

Directory of Open Access Journals (Sweden)

Luciana L. Silva

2015-01-01

Full Text Available Vibration-based energy harvesting with piezoelectric elements has an increasing importance nowadays being related to numerous potential applications. A wide range of nonlinear effects is observed in energy harvesting devices and the analysis of the power generated suggests that they have considerable influence on the results. Linear constitutive models for piezoelectric materials can provide inconsistencies on the prediction of the power output of the energy harvester, mainly close to resonant conditions. This paper investigates the effect of the nonlinear behavior of the piezoelectric coupling. A one-degree of freedom mechanical system is coupled to an electrical circuit by a piezoelectric element and different coupling models are investigated. Experimental tests available in the literature are employed as a reference establishing the best matches of the models. Subsequently, numerical simulations are carried out showing different responses of the system indicating that nonlinear piezoelectric couplings can strongly modify the system dynamics.

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.

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

A Deep Convolutional Coupling Network for Change Detection Based on Heterogeneous Optical and Radar Images.

Science.gov (United States)

Liu, Jia; Gong, Maoguo; Qin, Kai; Zhang, Puzhao

2018-03-01

We propose an unsupervised deep convolutional coupling network for change detection based on two heterogeneous images acquired by optical sensors and radars on different dates. Most existing change detection methods are based on homogeneous images. Due to the complementary properties of optical and radar sensors, there is an increasing interest in change detection based on heterogeneous images. The proposed network is symmetric with each side consisting of one convolutional layer and several coupling layers. The two input images connected with the two sides of the network, respectively, are transformed into a feature space where their feature representations become more consistent. In this feature space, the different map is calculated, which then leads to the ultimate detection map by applying a thresholding algorithm. The network parameters are learned by optimizing a coupling function. The learning process is unsupervised, which is different from most existing change detection methods based on heterogeneous images. Experimental results on both homogenous and heterogeneous images demonstrate the promising performance of the proposed network compared with several existing approaches.

New Drugs for CML

Science.gov (United States)

2007-02-01

to a fulminant acute leukemic disorder in which patients die of bleeding and infection (1). Allogeneic bone marrow transplantation was the first...acetylenes were created in one step by the coupling of a propiolate anion and isocyanate. These acetylenes were then used as a precursor in the synthesis of...the furans. The furan synthesis was based on early research in the Austin laboratory, which was centered on the concept of adapting the 1,3-dipolar

Nuclear magnetic relaxation induced by exchange-mediated orientational randomization: longitudinal relaxation dispersion for a dipole-coupled spin-1/2 pair.

Science.gov (United States)

Chang, Zhiwei; Halle, Bertil

2013-10-14

In complex biological or colloidal samples, magnetic relaxation dispersion (MRD) experiments using the field-cycling technique can characterize molecular motions on time scales ranging from nanoseconds to microseconds, provided that a rigorous theory of nuclear spin relaxation is available. In gels, cross-linked proteins, and biological tissues, where an immobilized macromolecular component coexists with a mobile solvent phase, nuclear spins residing in solvent (or cosolvent) species relax predominantly via exchange-mediated orientational randomization (EMOR) of anisotropic nuclear (electric quadrupole or magnetic dipole) couplings. The physical or chemical exchange processes that dominate the MRD typically occur on a time scale of microseconds or longer, where the conventional perturbation theory of spin relaxation breaks down. There is thus a need for a more general relaxation theory. Such a theory, based on the stochastic Liouville equation (SLE) for the EMOR mechanism, is available for a single quadrupolar spin I = 1. Here, we present the corresponding theory for a dipole-coupled spin-1/2 pair. To our knowledge, this is the first treatment of dipolar MRD outside the motional-narrowing regime. Based on an analytical solution of the spatial part of the SLE, we show how the integral longitudinal relaxation rate can be computed efficiently. Both like and unlike spins, with selective or non-selective excitation, are treated. For the experimentally important dilute regime, where only a small fraction of the spin pairs are immobilized, we obtain simple analytical expressions for the auto-relaxation and cross-relaxation rates which generalize the well-known Solomon equations. These generalized results will be useful in biophysical studies, e.g., of intermittent protein dynamics. In addition, they represent a first step towards a rigorous theory of water (1)H relaxation in biological tissues, which is a prerequisite for unravelling the molecular basis of soft

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.

FDTD based transition time dependent crosstalk analysis for coupled RLC interconnects

International Nuclear Information System (INIS)

Sharma, Devendra Kumar; Kaushik, Brajesh Kumar; Sharma, R. K.

2014-01-01

The performance of high density chips operating in the GHz range is mostly affected by on-chip interconnects. The interconnect delay depends on many factors, a few of them are inputs toggling patterns, line and coupling parasitics, input rise/fall time and source/load characteristics. The transition time of the input is of prime importance in high speed circuits. This paper addresses the FDTD based analysis of transition time effects on functional and dynamic crosstalk. The analysis is carried out for equal and unequal transition times of coupled inputs. The analysis of the effects of unequal rise time is equally important because practically, it is quite common to have mismatching in the rise time of the signals transmitting through different length wires. To demonstrate the effects, two distributed RLC lines coupled inductively and capacitively are taken into consideration. The FDTD technique is used because it gives accurate results and carries time domain analysis of coupled lines. The number of lumps in SPICE simulations is considered the same as those of spatial segments. To validate the FDTD computed results, SPICE simulations are run and results are compared. A good agreement of the computed results has been observed with respect to SPICE simulated results. An average error of less than 3.2% is observed in the computation of the performance parameters using the proposed method. (semiconductor integrated circuits)

Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling

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Qian Wang

2017-01-01

Full Text Available Different configurations of coupling strategies influence greatly the accuracy and convergence of the simulation results in the hybrid atomistic-continuum method. This study aims to quantitatively investigate this effect and offer the guidance on how to choose the proper configuration of coupling strategies in the hybrid atomistic-continuum method. We first propose a hybrid molecular dynamics- (MD- continuum solver in LAMMPS and OpenFOAM that exchanges state variables between the atomistic region and the continuum region and evaluate different configurations of coupling strategies using the sudden start Couette flow, aiming to find the preferable configuration that delivers better accuracy and efficiency. The major findings are as follows: (1 the C→A region plays the most important role in the overlap region and the “4-layer-1” combination achieves the best precision with a fixed width of the overlap region; (2 the data exchanging operation only needs a few sampling points closer to the occasions of interactions and decreasing the coupling exchange operations can reduce the computational load with acceptable errors; (3 the nonperiodic boundary force model with a smoothing parameter of 0.1 and a finer parameter of 20 can not only achieve the minimum disturbance near the MD-continuum interface but also keep the simulation precision.

Selective sp3 C–H alkylation via polarity-match-based cross-coupling

Science.gov (United States)

Le, Chip; Liang, Yufan; Evans, Ryan W.; Li, Ximing; MacMillan, David W. C.

2017-01-01

The functionalization of carbon–hydrogen (C–H) bonds is one of the most attractive strategies for molecular construction in organic chemistry. The hydrogen atom is considered to be an ideal coupling handle, owing to its relative abundance in organic molecules and its availability for functionalization at almost any stage in a synthetic sequence1. Although many C–H functionalization reactions involve C(sp3)–C(sp2) coupling, there is a growing demand for C–H alkylation reactions, wherein sp3 C–H bonds are replaced with sp3 C–alkyl groups. Here we describe a polarity-match-based selective sp3 C–H alkylation via the combination of photoredox, nickel and hydrogen-atom transfer catalysis. This methodology simultaneously uses three catalytic cycles to achieve hydridic C–H bond abstraction (enabled by polarity matching), alkyl halide oxidative addition, and reductive elimination to enable alkyl–alkyl fragment coupling. The sp3 C–H alkylation is highly selective for the α-C–H of amines, ethers and sulphides, which are commonly found in pharmaceutically relevant architectures. This cross-coupling protocol should enable broad synthetic applications in de novo synthesis and late-stage functionalization chemistry. PMID:28636596

Selective sp3 C-H alkylation via polarity-match-based cross-coupling.

Science.gov (United States)

Le, Chip; Liang, Yufan; Evans, Ryan W; Li, Ximing; MacMillan, David W C

2017-07-06

The functionalization of carbon-hydrogen (C-H) bonds is one of the most attractive strategies for molecular construction in organic chemistry. The hydrogen atom is considered to be an ideal coupling handle, owing to its relative abundance in organic molecules and its availability for functionalization at almost any stage in a synthetic sequence. Although many C-H functionalization reactions involve C(sp 3 )-C(sp 2 ) coupling, there is a growing demand for C-H alkylation reactions, wherein sp 3 C-H bonds are replaced with sp 3 C-alkyl groups. Here we describe a polarity-match-based selective sp 3 C-H alkylation via the combination of photoredox, nickel and hydrogen-atom transfer catalysis. This methodology simultaneously uses three catalytic cycles to achieve hydridic C-H bond abstraction (enabled by polarity matching), alkyl halide oxidative addition, and reductive elimination to enable alkyl-alkyl fragment coupling. The sp 3 C-H alkylation is highly selective for the α-C-H of amines, ethers and sulphides, which are commonly found in pharmaceutically relevant architectures. This cross-coupling protocol should enable broad synthetic applications in de novo synthesis and late-stage functionalization chemistry.

Selective sp3 C-H alkylation via polarity-match-based cross-coupling

Science.gov (United States)

Le, Chip; Liang, Yufan; Evans, Ryan W.; Li, Ximing; MacMillan, David W. C.

2017-07-01

The functionalization of carbon-hydrogen (C-H) bonds is one of the most attractive strategies for molecular construction in organic chemistry. The hydrogen atom is considered to be an ideal coupling handle, owing to its relative abundance in organic molecules and its availability for functionalization at almost any stage in a synthetic sequence. Although many C-H functionalization reactions involve C(sp3)-C(sp2) coupling, there is a growing demand for C-H alkylation reactions, wherein sp3 C-H bonds are replaced with sp3 C-alkyl groups. Here we describe a polarity-match-based selective sp3 C-H alkylation via the combination of photoredox, nickel and hydrogen-atom transfer catalysis. This methodology simultaneously uses three catalytic cycles to achieve hydridic C-H bond abstraction (enabled by polarity matching), alkyl halide oxidative addition, and reductive elimination to enable alkyl-alkyl fragment coupling. The sp3 C-H alkylation is highly selective for the α-C-H of amines, ethers and sulphides, which are commonly found in pharmaceutically relevant architectures. This cross-coupling protocol should enable broad synthetic applications in de novo synthesis and late-stage functionalization chemistry.

Mode Dynamics in the Bragg FEL Based on Coupling of Propagating and Trapped Waves

CERN Document Server

Ginzburg, N S; Peskov, N Yu; Rozental, R M; Sergeev, A; Zaslavsky, V Yu

2005-01-01

A novel Bragg FEL scheme is discussed in which an electron beam synchronously interacts with a propagating wave, and the latter is coupled to a quasi cut-off mode. This coupling is realized by either helical or asimuthally symmetric corrugation of the waveguide walls. The quasi cut-off mode provides feedback in the system leading to self-excitation of the whole system while the efficiency in steady-state regime of generation is almost completely determined by the propagating mode, synchronous to the beam. Analysis based on averaged time domain approach as well as on direct PIC code simulation shows that the efficiency of such a device in the single mode single frequency regime can be rather high. The main advantage of the novel Bragg resonator is provision of higher selectivity over transverse index than traditional scheme of Bragg FEL. The cold microwave testing of the Bragg structure based on coupling of propagating and trapped waves in the Ka band demonstrated a good agreement with theoretical consideratio...

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.

Modeling liquid-vapor equilibria with an equation of state taking into account dipolar interactions and association by hydrogen bonding; Modelisation des proprietes PVTX des fluides du systeme H{sub 2}O-gaz prenant en compte l'association par liaisons hydrogenes et les interactions dipolaires

Energy Technology Data Exchange (ETDEWEB)

Perfetti, E

2006-11-15

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{sub 2}O and H{sub 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{sub 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

Optimization of top coupling grating for very long wavelength QWIP based on surface plasmon

Science.gov (United States)

Wang, Guodong; Shen, Junling; Liu, Xiaolian; Ni, Lu; Wang, Saili

2017-09-01

The relative coupling efficiency of two-dimensional (2D) grating based on surface plasmon for very long wavelength quantum well infrared detector is analyzed by using the three-dimensional finite-difference time domain (3D-FDTD) method algorithm. The relative coupling efficiency with respect to the grating parameters, such as grating pitch, duty ratio, and grating thickness, is analyzed. The calculated results show that the relative coupling efficiency would reach the largest value for the 14.5 μm incident infrared light when taking the grating pitch as 4.4 μm, the duty ratio as 0.325, and the grating thickness as 0.07 μm, respectively.

Optimization design of wireless charging system for autonomous robots based on magnetic resonance coupling

Directory of Open Access Journals (Sweden)

Junhua Wang

2018-05-01

Full Text Available Wireless charging is the key technology to realize real autonomy of mobile robots. As the core part of wireless power transfer system, coupling mechanism including coupling coils and compensation topology is analyzed and optimized through simulations, to achieve stable and practical wireless charging suitable for ordinary robots. Multi-layer coil structure, especially double-layer coil is explored and selected to greatly enhance coupling performance, while shape of ferrite shielding goes through distributed optimization to guarantee coil fault tolerance and cost effectiveness. On the basis of optimized coils, primary compensation topology is analyzed to adopt composite LCL compensation, to stabilize operations of the primary side under variations of mutual inductance. Experimental results show the optimized system does make sense for wireless charging application for robots based on magnetic resonance coupling, to realize long-term autonomy of robots.

Optimization design of wireless charging system for autonomous robots based on magnetic resonance coupling

Science.gov (United States)

Wang, Junhua; Hu, Meilin; Cai, Changsong; Lin, Zhongzheng; Li, Liang; Fang, Zhijian

2018-05-01

Wireless charging is the key technology to realize real autonomy of mobile robots. As the core part of wireless power transfer system, coupling mechanism including coupling coils and compensation topology is analyzed and optimized through simulations, to achieve stable and practical wireless charging suitable for ordinary robots. Multi-layer coil structure, especially double-layer coil is explored and selected to greatly enhance coupling performance, while shape of ferrite shielding goes through distributed optimization to guarantee coil fault tolerance and cost effectiveness. On the basis of optimized coils, primary compensation topology is analyzed to adopt composite LCL compensation, to stabilize operations of the primary side under variations of mutual inductance. Experimental results show the optimized system does make sense for wireless charging application for robots based on magnetic resonance coupling, to realize long-term autonomy of robots.

Molecular self assembly and chiral recognition of copper octacyanophthalocyanine on Au(111): Interplay of intermolecular and molecule-substrate interactions.

Science.gov (United States)

Sk, Rejaul; Dhara, Barun; Miller, Joel; Deshpande, Aparna

Submolecular resolution scanning tunneling microscopy (STM) of copper octacyanophthalocyanine, CuPc(CN)8, at 77 K demonstrates that these achiral molecules form a two dimensional (2D) tetramer-based self-assembly upon evaporation onto an atomically flat Au(111) substrate. They assemble in two different structurally chiral configurations upon adsorption on Au(111). Scanning tunneling spectroscopy (STS),acquired at 77 K, unveils the HOMO and LUMO energy levels of this self-assembly. Voltage dependent STM images show that each molecule in both the structurally chiral configurations individually becomes chiral by breaking the mirror symmetry due to the enhanced intermolecular dipolar coupling interaction at the LUMO energy while the individual molecules remain achiral at the HOMO energy and within the HOMO-LUMO gap. At the LUMO energy, the handedness of the each chiral molecule is decided by the direction of the dipolar coupling interaction in the tetramer unit cell. This preference for LUMO energy indicates that this chirality is purely electronic in nature and it manifests on top of the organizational chirality that is present in the self-assembly independent of the orbital energy. Supported by IISER Pune and DAE-BRNS, India (Project No. 2011/20/37C/17/BRNS).

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.

Linear and nonlinear low-frequency electrostatic waves in a nonuniform pair-ion-dust magnetoplasma

International Nuclear Information System (INIS)

Saleem, H; Shukla, P K; Eliasson, B

2008-01-01

Linear and nonlinear properties of the low-frequency (in comparison with the ion gyrofrequency) electrostatic oscillations in pair-ion-dust magnetoplasma are presented. In the linear limit, the Shukla-Varma mode is coupled with the ion oscillations while the nonlinearly coupled modes appear in the form of a dipolar or a monopolar vortex

Optimal Couple Projections for Domain Adaptive Sparse Representation-based Classification.

Science.gov (United States)

Zhang, Guoqing; Sun, Huaijiang; Porikli, Fatih; Liu, Yazhou; Sun, Quansen

2017-08-29

In recent years, sparse representation based classification (SRC) is one of the most successful methods and has been shown impressive performance in various classification tasks. However, when the training data has a different distribution than the testing data, the learned sparse representation may not be optimal, and the performance of SRC will be degraded significantly. To address this problem, in this paper, we propose an optimal couple projections for domain-adaptive sparse representation-based classification (OCPD-SRC) method, in which the discriminative features of data in the two domains are simultaneously learned with the dictionary that can succinctly represent the training and testing data in the projected space. OCPD-SRC is designed based on the decision rule of SRC, with the objective to learn coupled projection matrices and a common discriminative dictionary such that the between-class sparse reconstruction residuals of data from both domains are maximized, and the within-class sparse reconstruction residuals of data are minimized in the projected low-dimensional space. Thus, the resulting representations can well fit SRC and simultaneously have a better discriminant ability. In addition, our method can be easily extended to multiple domains and can be kernelized to deal with the nonlinear structure of data. The optimal solution for the proposed method can be efficiently obtained following the alternative optimization method. Extensive experimental results on a series of benchmark databases show that our method is better or comparable to many state-of-the-art methods.

A modified abstraction of Sierpiński fractals towards enhanced sensitivity of a cross-coupled bow-tie nanostructure

Science.gov (United States)

Hasan, Dihan; Lee, Chengkuo

2018-06-01

We experimentally demonstrate a modified abstraction of a fractal geometry (up to order M = 2), namely the Sierpiński fractal, with intrinsic self-similarity for a multitude of infrared sensing applications. The modification particularly strengthens the dipolar resonance and enables optical magnetism at longer wavelengths on a relatively miniaturized footprint. In contrast to the conventional resonant sensing, we harness the broadband electric field enhancement of the modified fractal patterns originating from the lightning rod effect in the non-resonant regime. We demonstrate strong enhancement of molecular absorption at mid-IR by the fractal patterns in the non-resonant regime even under extreme thermal broadening. Finally, we extend the work towards the functional study of the molecular fingerprint of ultra-thin film (∼5 nm) on a non-complementary metamaterial platform in the non-resonant regime. With the help of the solid state chemical dewetting of the monolayer, we also successfully demonstrate a new type of cross-coupling mediated sensitivity of the multispectral and mutually coupled fractal patterns. The research clearly indicates the usefulness of broadband electric field enhancement by the second order fractal pattern for on chip, complete profiling of mid-IR fingerprints of biological elements, i.e. cell, and protein monolayer on a limited footprint and under versatile morphological states.

Root-MUSIC Based Angle Estimation for MIMO Radar with Unknown Mutual Coupling

Directory of Open Access Journals (Sweden)

Jianfeng Li

2014-01-01

Full Text Available Direction of arrival (DOA estimation problem for multiple-input multiple-output (MIMO radar with unknown mutual coupling is studied, and an algorithm for the DOA estimation based on root multiple signal classification (MUSIC is proposed. Firstly, according to the Toeplitz structure of the mutual coupling matrix, output data of some specified sensors are selected to eliminate the influence of the mutual coupling. Then the reduced-dimension transformation is applied to make the computation burden lower as well as obtain a Vandermonde structure of the direction matrix. Finally, Root-MUSIC can be adopted for the angle estimation. The angle estimation performance of the proposed algorithm is better than that of estimation of signal parameters via rotational invariance techniques (ESPRIT-like algorithm and MUSIC-like algorithm. Furthermore, the proposed algorithm has lower complexity than them. The simulation results verify the effectiveness of the algorithm, and the theoretical estimation error of the algorithm is also derived.

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.

Gender Inequality in the Couple Relationship and Leisure-Based Physical Exercise.

Directory of Open Access Journals (Sweden)

Ellen Annandale

Full Text Available To analyse whether gender inequality in the couple relationship was related to leisure-based physical activity, after controlling for earlier physical activity and confounders.Data drawn from the Northern Swedish Cohort of all pupils in their final year of compulsory schooling in a town in the North of Sweden. The sample consisted of 772 respondents (n = 381 men, n = 391 women in the 26-year follow-up (in 2007, aged 42 who were either married or cohabiting. Ordinal regression, for men and women separately, was used to assess the association between gender inequality (measured as self-perceived equality in the couple relationship using dummy variables and a measure of exercise frequency, controlling for prior exercise frequency, socioeconomic status, the presence of children in the home, and longer than usual hours in paid work.The perception of greater gender equality in the couple relationship was associated with higher levels of physical activity for both men and women. This remained significant when the other variables were controlled for. Amongst men the confidence intervals were high.The results point to the potential of perceived gender equality in the couple relationship to counteract the general time poverty and household burden that often arises from the combination of paid work and responsibility for children and the home, especially for women. The high confidence intervals among men indicate the need for more research within the field with larger samples.

Gender Inequality in the Couple Relationship and Leisure-Based Physical Exercise.

Science.gov (United States)

Annandale, Ellen; Hammarström, Anne

2015-01-01

To analyse whether gender inequality in the couple relationship was related to leisure-based physical activity, after controlling for earlier physical activity and confounders. Data drawn from the Northern Swedish Cohort of all pupils in their final year of compulsory schooling in a town in the North of Sweden. The sample consisted of 772 respondents (n = 381 men, n = 391 women) in the 26-year follow-up (in 2007, aged 42) who were either married or cohabiting. Ordinal regression, for men and women separately, was used to assess the association between gender inequality (measured as self-perceived equality in the couple relationship using dummy variables) and a measure of exercise frequency, controlling for prior exercise frequency, socioeconomic status, the presence of children in the home, and longer than usual hours in paid work. The perception of greater gender equality in the couple relationship was associated with higher levels of physical activity for both men and women. This remained significant when the other variables were controlled for. Amongst men the confidence intervals were high. The results point to the potential of perceived gender equality in the couple relationship to counteract the general time poverty and household burden that often arises from the combination of paid work and responsibility for children and the home, especially for women. The high confidence intervals among men indicate the need for more research within the field with larger samples.

Modeling of thermal coupling in VO2-based oscillatory neural networks

Science.gov (United States)

Velichko, Andrey; Belyaev, Maksim; Putrolaynen, Vadim; Perminov, Valentin; Pergament, Alexander

2018-01-01

In this study, we have demonstrated the possibility of using the thermal coupling to control the dynamics of operation of coupled VO2 oscillators. Based on the example of a 'switch-microheater' pair, we have explored the synchronization and dissynchronization modes of a single oscillator with respect to an external harmonic heat impact. The features of changes in the spectra are shown, in particular, the effect of the natural frequency attraction to the affecting signal frequency and the self-oscillation noise reduction effects at synchronization. The time constant of the temperature effect for the considered system configuration is in the range 7-140 μs, which allows operation in the oscillation frequency range of up to ∼70 kHz. A model estimate of the minimum temperature sensitivity of the switch is δTswitch ∼ 0.2 K, and the effective action radius RTC of the switch-to-switch thermal coupling is not less than 25 μm. Nevertheless, as the simulation shows, the frequency range can be significantly extended up to the values of 1-30 GHz if using nanometer-scale switches (heaters). article>

Interference coupling analysis based on a hybrid method: application to a radio telescope system

Science.gov (United States)

Xu, Qing-Lin; Qiu, Yang; Tian, Jin; Liu, Qi

2018-02-01

Working in a way that passively receives electromagnetic radiation from a celestial body, a radio telescope can be easily disturbed by external radio frequency interference as well as electromagnetic interference generated by electric and electronic components operating at the telescope site. A quantitative analysis of these interferences must be taken into account carefully for further electromagnetic protection of the radio telescope. In this paper, based on electromagnetic topology theory, a hybrid method that combines the Baum-Liu-Tesche (BLT) equation and transfer function is proposed. In this method, the coupling path of the radio telescope is divided into strong coupling and weak coupling sub-paths, and the coupling intensity criterion is proposed by analyzing the conditions in which the BLT equation simplifies to a transfer function. According to the coupling intensity criterion, the topological model of a typical radio telescope system is established. The proposed method is used to solve the interference response of the radio telescope system by analyzing subsystems with different coupling modes separately and then integrating the responses of the subsystems as the response of the entire system. The validity of the proposed method is verified numerically. The results indicate that the proposed method, compared with the direct solving method, reduces the difficulty and improves the efficiency of interference prediction.

Strong coupling and polariton lasing in Te based microcavities embedding (Cd,Zn)Te quantum wells

Energy Technology Data Exchange (ETDEWEB)

Rousset, J.-G., E-mail: j-g.rousset@fuw.edu.pl; Piętka, B.; Król, M.; Mirek, R.; Lekenta, K.; Szczytko, J.; Borysiuk, J.; Suffczyński, J.; Kazimierczuk, T.; Goryca, M.; Smoleński, T.; Kossacki, P.; Nawrocki, M.; Pacuski, W. [Institute of Experimental Physics, Faculty of Physics, University of Warsaw, ul. Pasteura 5, PL-02-093 Warszawa (Poland)

2015-11-16

We report on properties of an optical microcavity based on (Cd,Zn,Mg)Te layers and embedding (Cd,Zn)Te quantum wells. The key point of the structure design is the lattice matching of the whole structure to MgTe, which eliminates the internal strain and allows one to embed an arbitrary number of unstrained quantum wells in the microcavity. We evidence the strong light-matter coupling regime already for the structure containing a single quantum well. Embedding four unstrained quantum wells results in further enhancement of the exciton-photon coupling and the polariton lasing in the strong coupling regime.

Integrated approach for fusion multi-physics coupled analyses based on hybrid CAD and mesh geometries

Energy Technology Data Exchange (ETDEWEB)

Qiu, Yuefeng, E-mail: yuefeng.qiu@kit.edu; Lu, Lei; Fischer, Ulrich

2015-10-15

Highlights: • Integrated approach for neutronics, thermal and structural analyses was developed. • MCNP5/6, TRIPOLI-4 were coupled with CFX, Fluent and ANSYS Workbench. • A novel meshing approach has been proposed for describing MC geometry. - Abstract: Coupled multi-physics analyses on fusion reactor devices require high-fidelity neutronic models, and flexible, accurate data exchanging between various calculation codes. An integrated coupling approach has been developed to enable the conversion of CAD, mesh, or hybrid geometries for Monte Carlo (MC) codes MCNP5/6, TRIPOLI-4, and translation of nuclear heating data for CFD codes Fluent, CFX and structural mechanical software ANSYS Workbench. The coupling approach has been implemented based on SALOME platform with CAD modeling, mesh generation and data visualization capabilities. A novel meshing approach has been developed for generating suitable meshes for MC geometry descriptions. The coupling approach has been concluded to be reliable and efficient after verification calculations of several application cases.

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

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

Science.gov (United States)

2016-02-29

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

The Bodenmann Couples Coping Enhancement Training (CCET): A New Approach to Prevention of Marital Distress Based upon Stress and Coping

Science.gov (United States)

Bodenmann, Guy; Shantinath, S. D.

2004-01-01

We describe a distress prevention training program for couples and three empirical studies that support its effectiveness. The program, Couples Coping Enhancement Training (CCET), is based both upon stress and coping theory and research on couples. In addition to traditional elements of couples programs (e.g., communication and problem-solving…

Intermolecular dynamics studied by paramagnetic tagging

Energy Technology Data Exchange (ETDEWEB)

Xu Xingfu; Keizers, Peter H. J. [Leiden University, Institute of Chemistry (Netherlands); Reinle, Wolfgang; Hannemann, Frank; Bernhardt, Rita [Universitaet des Saarlandes, Naturwissenschaftlich-Technische Fakultaet III, Institut fuer Biochemie (Germany); Ubbink, Marcellus [Leiden University, Institute of Chemistry (Netherlands)], E-mail: m.ubbink@chem.leidenuniv.nl

2009-04-15

Yeast cytochrome c and bovine adrenodoxin form a dynamic electron transfer complex, which is a pure encounter complex. It is demonstrated that the dynamic nature of the interaction can readily be probed by using a rigid lanthanide tag attached to cytochrome c. The tag, Caged Lanthanide NMR Probe 5, induces pseudocontact shifts and residual dipolar couplings and does not perturb the binding interface. Due to the dynamics in the complex, residual dipolar couplings in adrenodoxin are very small. Simulation shows that cytochrome c needs to sample a large part of the surface of adrenodoxin to explain the small degree of alignment observed for adrenodoxin. The applied method provides a simple and straightforward way to observe dynamics in protein complexes or domain-domain mobility without the need for external alignment media.

Intermolecular dynamics studied by paramagnetic tagging

International Nuclear Information System (INIS)

Xu Xingfu; Keizers, Peter H. J.; Reinle, Wolfgang; Hannemann, Frank; Bernhardt, Rita; Ubbink, Marcellus

2009-01-01

Yeast cytochrome c and bovine adrenodoxin form a dynamic electron transfer complex, which is a pure encounter complex. It is demonstrated that the dynamic nature of the interaction can readily be probed by using a rigid lanthanide tag attached to cytochrome c. The tag, Caged Lanthanide NMR Probe 5, induces pseudocontact shifts and residual dipolar couplings and does not perturb the binding interface. Due to the dynamics in the complex, residual dipolar couplings in adrenodoxin are very small. Simulation shows that cytochrome c needs to sample a large part of the surface of adrenodoxin to explain the small degree of alignment observed for adrenodoxin. The applied method provides a simple and straightforward way to observe dynamics in protein complexes or domain-domain mobility without the need for external alignment media

Thermal coupling and effect of subharmonic synchronization in a system of two VO2 based oscillators

Science.gov (United States)

Velichko, Andrey; Belyaev, Maksim; Putrolaynen, Vadim; Perminov, Valentin; Pergament, Alexander

2018-03-01

We explore a prototype of an oscillatory neural network (ONN) based on vanadium dioxide switching devices. The model system under study represents two oscillators based on thermally coupled VO2 switches. Numerical simulation shows that the effective action radius RTC of coupling depends both on the total energy released during switching and on the average power. It is experimentally and numerically proved that the temperature change ΔT commences almost synchronously with the released power peak and T-coupling reveals itself up to a frequency of about 10 kHz. For the studied switching structure configuration, the RTC value varies over a wide range from 4 to 45 μm, depending on the external circuit capacitance C and resistance Ri, but the variation of Ri is more promising from the practical viewpoint. In the case of a "weak" coupling, synchronization is accompanied by attraction effect and decrease of the main spectra harmonics width. In the case of a "strong" coupling, the number of effects increases, synchronization can occur on subharmonics resulting in multilevel stable synchronization of two oscillators. An advanced algorithm for synchronization efficiency and subharmonic ratio calculation is proposed. It is shown that of the two oscillators the leading one is that with a higher main frequency, and, in addition, the frequency stabilization effect is observed. Also, in the case of a strong thermal coupling, the limit of the supply current parameters, for which the oscillations exist, expands by ∼10%. The obtained results have a universal character and open up a new kind of coupling in ONNs, namely, T-coupling, which allows for easy transition from 2D to 3D integration. The effect of subharmonic synchronization hold promise for application in classification and pattern recognition.

Super-pixel extraction based on multi-channel pulse coupled neural network

Science.gov (United States)

Xu, GuangZhu; Hu, Song; Zhang, Liu; Zhao, JingJing; Fu, YunXia; Lei, BangJun

2018-04-01

Super-pixel extraction techniques group pixels to form over-segmented image blocks according to the similarity among pixels. Compared with the traditional pixel-based methods, the image descripting method based on super-pixel has advantages of less calculation, being easy to perceive, and has been widely used in image processing and computer vision applications. Pulse coupled neural network (PCNN) is a biologically inspired model, which stems from the phenomenon of synchronous pulse release in the visual cortex of cats. Each PCNN neuron can correspond to a pixel of an input image, and the dynamic firing pattern of each neuron contains both the pixel feature information and its context spatial structural information. In this paper, a new color super-pixel extraction algorithm based on multi-channel pulse coupled neural network (MPCNN) was proposed. The algorithm adopted the block dividing idea of SLIC algorithm, and the image was divided into blocks with same size first. Then, for each image block, the adjacent pixels of each seed with similar color were classified as a group, named a super-pixel. At last, post-processing was adopted for those pixels or pixel blocks which had not been grouped. Experiments show that the proposed method can adjust the number of superpixel and segmentation precision by setting parameters, and has good potential for super-pixel extraction.

Color image encryption based on Coupled Nonlinear Chaotic Map

International Nuclear Information System (INIS)

Mazloom, Sahar; Eftekhari-Moghadam, Amir Masud

2009-01-01

Image encryption is somehow different from text encryption due to some inherent features of image such as bulk data capacity and high correlation among pixels, which are generally difficult to handle by conventional methods. The desirable cryptographic properties of the chaotic maps such as sensitivity to initial conditions and random-like behavior have attracted the attention of cryptographers to develop new encryption algorithms. Therefore, recent researches of image encryption algorithms have been increasingly based on chaotic systems, though the drawbacks of small key space and weak security in one-dimensional chaotic cryptosystems are obvious. This paper proposes a Coupled Nonlinear Chaotic Map, called CNCM, and a novel chaos-based image encryption algorithm to encrypt color images by using CNCM. The chaotic cryptography technique which used in this paper is a symmetric key cryptography with a stream cipher structure. In order to increase the security of the proposed algorithm, 240 bit-long secret key is used to generate the initial conditions and parameters of the chaotic map by making some algebraic transformations to the key. These transformations as well as the nonlinearity and coupling structure of the CNCM have enhanced the cryptosystem security. For getting higher security and higher complexity, the current paper employs the image size and color components to cryptosystem, thereby significantly increasing the resistance to known/chosen-plaintext attacks. The results of several experimental, statistical analysis and key sensitivity tests show that the proposed image encryption scheme provides an efficient and secure way for real-time image encryption and transmission.

Flat-top passband filter based on parallel-coupled double microring resonators in silicon

Science.gov (United States)

Huang, Qingzhong; Xiao, Xi; Li, Yuntao; Li, Zhiyong; Yu, Yude; Yu, Jinzhong

2009-08-01

Optical filters with box-like response were designed and realized based on parallel-coupled double microrings in silicon-on-insulator. The properties of this design are simulated, considering the impact of the center-to-center distance of two rings, and coupling efficiency. Flat-top passband in the drop channel of the fabricated device was demonstrated with a 1dB bandwidth of 0.82nm, a 1dB/10dB bandwidth ratio of 0.51, an out of band rejection ratio of 14.6dB, as well as a free spectrum range of 13.6nm.

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.

Modelling and analysis of transient state during improved coupling procedure with the grid for DFIG based wind turbine generator

Science.gov (United States)

Kammoun, Soulaymen; Sallem, Souhir; Ben Ali Kammoun, Mohamed

2017-11-01

The aim of this study is to enhance DFIG based Wind Energy Conversion Systems (WECS) dynamics during grid coupling. In this paper, a system modelling and a starting/coupling procedure for this generator to the grid are proposed. The proposed non-linear system is a variable structure system (VSS) and has two different states, before and after coupling. So, two different state models are given to the system to analyse transient stability during the coupling. The given model represents well the transient state of the machine, through which, a behaviour assessment of the generator before, during and after connection is given based on simulation results. For this, a 300 kW DFIG based wind generation system model was simulated on the Matlab/SIMULINK environment. We judge the proposed procedure to be practical, smooth and stability improved.

Spontaneous Synchronization in Two Mutually Coupled Memristor-Based Chua’s Circuits: Numerical Investigations

Directory of Open Access Journals (Sweden)

Eleonora Bilotta

2014-01-01

Full Text Available Chaotic dynamics of numerous memristor-based circuits is widely reported in literature. Recently, some works have appeared which study the problem of synchronization control of these systems in a master-slave configuration. In the present paper, the spontaneous dynamic behavior of two chaotic memristor-based Chua’s circuits, mutually interacting through a coupling resistance, was studied via computer simulations in order to study possible self-organized synchronization phenomena. The used memristor is a flux controlled memristor with a cubic nonlinearity, and it can be regarded as a time-varying memductance. The memristor, in effect, retains memory of its past dynamic and any difference in the initial conditions of the two circuits results in different values of the corresponding memductances. In this sense, due to the memory effect of the memristor, even if coupled circuits have the same parameters they do not constitute two completely identical chaotic oscillators. As is known, for nonidentical chaotic systems, in addition to complete synchronizations (CS other weaker forms of synchronization which provide correlations between the signals of the two systems can also occur. Depending on initial conditions and coupling strength, both chaotic and nonchaotic synchronization are observed for the system considered in this work.

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

International Nuclear Information System (INIS)

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

2002-01-01

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

Loose Coupling of Wearable-Based INSs with Automatic Heading Evaluation

OpenAIRE

Bousdar Ahmed, Dina; Munoz Diaz, Estefania

2017-01-01

Position tracking of pedestrians by means of inertial sensors is a highly explored field of research. In fact, there are already many approaches to implement inertial navigation systems (INSs). However, most of them use a single inertial measurement unit (IMU) attached to the pedestrian’s body. Since wearable-devices will be given items in the future, this work explores the implementation of an INS using two wearable-based IMUs. A loosely coupled approach is proposed to combine the outputs of...

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.

Refractive index modulation based on excitonic effects in GaInAs-InP coupled asymmetric quantum wells

DEFF Research Database (Denmark)

Thirstrup, Carsten

1995-01-01

The effect of excitons in GaInAs-InP coupled asymmetric quantum wells on the refractive index modulation, is analyzed numerically using a model based on the effective mass approximation. It is shown that two coupled quantum wells brought in resonance by an applied electric field will, due...

Exploration of mild copper-mediated coupling of organotrifluoroborates in the synthesis of thiirane-based inhibitors of matrix metalloproteinases.

Science.gov (United States)

Testero, Sebastian A; Bouley, Renee; Fisher, Jed F; Chang, Mayland; Mobashery, Shahriar

2011-05-01

The copper-mediated and non-basic oxidative cross-coupling of organotrifluoroborates with phenols was applied to elaboration of the structures of thiirane-based inhibitors of matrix metalloproteinases. By revision of the synthetic sequence to allow this cross-coupling as the final step, and taking advantage of the neutral nature of organotrifluoroborate cross-coupling, a focussed series of inhibitors showing aryloxy and alkenyloxy replacement of the phenoxy substituent was prepared. This reaction shows exceptional promise as an alternative to the classic copper-mediated but strongly basic Ullmann reaction, for the diversification of ether segments within base-labile lead structures. Copyright © 2010 Elsevier Ltd. All rights reserved.

Programmed coherent coupling in a synthetic DNA-based excitonic circuit

Science.gov (United States)

Boulais, Étienne; Sawaya, Nicolas P. D.; Veneziano, Rémi; Andreoni, Alessio; Banal, James L.; Kondo, Toru; Mandal, Sarthak; Lin, Su; Schlau-Cohen, Gabriela S.; Woodbury, Neal W.; Yan, Hao; Aspuru-Guzik, Alán; Bathe, Mark

2018-02-01

Natural light-harvesting systems spatially organize densely packed chromophore aggregates using rigid protein scaffolds to achieve highly efficient, directed energy transfer. Here, we report a synthetic strategy using rigid DNA scaffolds to similarly program the spatial organization of densely packed, discrete clusters of cyanine dye aggregates with tunable absorption spectra and strongly coupled exciton dynamics present in natural light-harvesting systems. We first characterize the range of dye-aggregate sizes that can be templated spatially by A-tracts of B-form DNA while retaining coherent energy transfer. We then use structure-based modelling and quantum dynamics to guide the rational design of higher-order synthetic circuits consisting of multiple discrete dye aggregates within a DX-tile. These programmed circuits exhibit excitonic transport properties with prominent circular dichroism, superradiance, and fast delocalized exciton transfer, consistent with our quantum dynamics predictions. This bottom-up strategy offers a versatile approach to the rational design of strongly coupled excitonic circuits using spatially organized dye aggregates for use in coherent nanoscale energy transport, artificial light-harvesting, and nanophotonics.

Magnetization Dynamics in Two Novel Current-Driven Spintronic Memory Cell Structures

KAUST Repository

Velazquez-Rizo, Martin

2017-01-01

In this work, two new spintronic memory cell structures are proposed. The first cell uses the diffusion of polarized spins into ferromagnets with perpendicular anisotropy to tilt their magnetization followed by their dipolar coupling to a fixed

Synthesis of Fluorinated Amphiphilic Block Copolymers Based on PEGMA, HEMA, and MMA via ATRP and CuAAC Click Chemistry

Directory of Open Access Journals (Sweden)

Fatime Eren Erol

2014-01-01

Full Text Available Synthesis of fluorinated amphiphilic block copolymers via atom transfer radical polymerization (ATRP and Cu(I catalyzed Huisgen 1,3-dipolar cycloaddition (CuAAC was demonstrated. First, a PEGMA and MMA based block copolymer carrying multiple side-chain acetylene moieties on the hydrophobic segment for postfunctionalization was carried out. This involves the synthesis of a series of P(HEMA-co-MMA random copolymers to be employed as macroinitiators in the controlled synthesis of P(HEMA-co-MMA-block-PPEGMA block copolymers by using ATRP, followed by a modification step on the hydroxyl side groups of HEMA via Steglich esterification to afford propargyl side-functional polymer, alkyne-P(HEMA-co-MMA-block-PPEGMA. Finally, click coupling between side-chain acetylene functionalities and 2,3,4,5,6-pentafluorobenzyl azide yielded fluorinated amphiphilic block copolymers. The obtained polymers were structurally characterized by 1H-NMR, 19F-NMR, FT-IR, and GPC. Their thermal characterizations were performed using DSC and TGA.

Identification of Coupled Map Lattice Based on Compressed Sensing

Directory of Open Access Journals (Sweden)

Dong Xie

2016-01-01

Full Text Available A novel approach for the parameter identification of coupled map lattice (CML based on compressed sensing is presented in this paper. We establish a meaningful connection between these two seemingly unrelated study topics and identify the weighted parameters using the relevant recovery algorithms in compressed sensing. Specifically, we first transform the parameter identification problem of CML into the sparse recovery problem of underdetermined linear system. In fact, compressed sensing provides a feasible method to solve underdetermined linear system if the sensing matrix satisfies some suitable conditions, such as restricted isometry property (RIP and mutual coherence. Then we give a low bound on the mutual coherence of the coefficient matrix generated by the observed values of CML and also prove that it satisfies the RIP from a theoretical point of view. If the weighted vector of each element is sparse in the CML system, our proposed approach can recover all the weighted parameters using only about M samplings, which is far less than the number of the lattice elements N. Another important and significant advantage is that if the observed data are contaminated with some types of noises, our approach is still effective. In the simulations, we mainly show the effects of coupling parameter and noise on the recovery rate.

Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit

Czech Academy of Sciences Publication Activity Database

Kaleta, Jiří; Michl, Josef; Méziere, C.; Simonov, S.; Zorina, L.; Wzietek, P.; Rodríguez-Fortea, A.; Canadell, E.; Batail, P.

2015-01-01

Roč. 17, č. 41 (2015), s. 7829-7834 ISSN 1466-8033 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : organic frameworks * correlated motion * dynamics Subject RIV: CC - Organic Chemistry Impact factor: 3.849, year: 2015 http://pubs.rsc.org/en/content/articlepdf/2015/ce/c5ce01372k

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...

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

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

Interpreting the CMB aberration and Doppler measurements: boost or intrinsic dipole?

International Nuclear Information System (INIS)

Roldan, Omar; Quartin, Miguel; Notari, Alessio

2016-01-01

The aberration and Doppler coupling effects of the Cosmic Microwave Background (CMB) were recently measured by the Planck satellite. The most straightforward interpretation leads to a direct detection of our peculiar velocity β, consistent with the measurement of the well-known dipole. In this paper we discuss the assumptions behind such interpretation. We show that Doppler-like couplings appear from two effects: our peculiar velocity and a second order large-scale effect due to the dipolar part of the gravitational potential. We find that the two effects are exactly degenerate but only if we assume second-order initial conditions from single-field Inflation. Thus, detecting a discrepancy in the value of β from the dipole and the Doppler couplings implies the presence of a primordial non-Gaussianity. We also show that aberration-like signals likewise arise from two independent effects: our peculiar velocity and lensing due to a first order large-scale dipolar gravitational potential, independently on Gaussianity of the initial conditions. In general such effects are not degenerate and so a discrepancy between the measured β from the dipole and aberration could be accounted for by a dipolar gravitational potential. Only through a fine-tuning of the radial profile of the potential it is possible to have a complete degeneracy with a boost effect. Finally we discuss that we also expect other signatures due to integrated second order terms, which may be further used to disentangle this scenario from a simple boost.

Interpreting the CMB aberration and Doppler measurements: boost or intrinsic dipole?

Energy Technology Data Exchange (ETDEWEB)

Roldan, Omar; Quartin, Miguel [Instituto de Física, Universidade Federal do Rio de Janeiro, 21941-972, Rio de Janeiro, RJ (Brazil); Notari, Alessio, E-mail: oaroldan@if.ufrj.br, E-mail: notari@ffn.ub.es, E-mail: mquartin@if.ufrj.br [Departament de Física Fondamental i Institut de Ciéncies del Cosmos, Universitat de Barcelona, Martí i Franqués 1, E-08028 Barcelona (Spain)

2016-06-01

The aberration and Doppler coupling effects of the Cosmic Microwave Background (CMB) were recently measured by the Planck satellite. The most straightforward interpretation leads to a direct detection of our peculiar velocity β, consistent with the measurement of the well-known dipole. In this paper we discuss the assumptions behind such interpretation. We show that Doppler-like couplings appear from two effects: our peculiar velocity and a second order large-scale effect due to the dipolar part of the gravitational potential. We find that the two effects are exactly degenerate but only if we assume second-order initial conditions from single-field Inflation. Thus, detecting a discrepancy in the value of β from the dipole and the Doppler couplings implies the presence of a primordial non-Gaussianity. We also show that aberration-like signals likewise arise from two independent effects: our peculiar velocity and lensing due to a first order large-scale dipolar gravitational potential, independently on Gaussianity of the initial conditions. In general such effects are not degenerate and so a discrepancy between the measured β from the dipole and aberration could be accounted for by a dipolar gravitational potential. Only through a fine-tuning of the radial profile of the potential it is possible to have a complete degeneracy with a boost effect. Finally we discuss that we also expect other signatures due to integrated second order terms, which may be further used to disentangle this scenario from a simple boost.

REDOR NMR of stable-isotope-labeled protein binding sites

Energy Technology Data Exchange (ETDEWEB)

Schaefer, J. [Washington Univ., St. Louis, MO (United States)

1994-12-01

Rotational-echo, double resonance (REDOR) NMR, a new analytical spectroscopic technique for solids spinning at the magic angle, has been developed over the last 5 years. REDOR provides a direct measure of heteronuclear dipolar coupling between isolated pairs of labeled nuclei. In a solid with a {sup 13}C-{sup 15}N labeled pair, for example, the {sup 13}C rotational echoes that form each rotor period following a{sup 1}H-{sup 13}C cross-polarization transfer can be prevented from reaching full intensity by insertion of a {sup 15}N {pi} pulse each half rotor period. The REDOR difference (the difference between a {sup 13}C NMR spectrum obtained under these conditions and one obtained with no {sup 15}N {pi} pulses) has a strong dependence on the {sup 13}C-{sup 15}N dipolar coupling, and hence, the {sup 13}C-{sup 15}N internuclear distance. REDOR is described as double-resonance even though three radio frequencies (typically {sup 1}H, {sup 13}C, and {sup 15}N) are used because the protons are removed from the important evolution part of the experiment by resonant decoupling. The dephasing of magnetization in REDOR arises from a local dipolar {sup 13}C-{sup 15}N field gradient and involves no polarization transfer. REDOR has no dependence on {sup 13}C or {sup 15}N chemical-shift tensors and does not require resolution of a {sup 13}C-{sup 15}N coupling in the chemical-shift dimension.

Base free aryl coupling of diazonium compounds and boronic esters: self-activation allowing an overall highly practical process.

Science.gov (United States)

Bonin, Hélène; Delbrayelle, Dominique; Demonchaux, Patrice; Gras, Emmanuel

2010-04-21

Boronic esters have long been considered as poor partners in cross-coupling reactions with arene diazoniums. Here is reported an unprecedented application of self-activated boronic esters in a base-free cross-coupling reaction with diazonium salts under mild and user friendly conditions.

A saponification-triggered gelation of ester-based Zn(II) complex through conformational transformations.

Science.gov (United States)

Kumar, Ashish; Dubey, Mrigendra; Kumar, Amit; Pandey, Daya Shankar

2014-09-11

Novel saponification-triggered gelation in an ester-based bis-salen Zn(II) complex (1) is described. Strategic structural modifications induced by NaOH in 1 tune the dipolar-/π-interactions leading to J-aggregation and the creation of an inorganic gel material (IGM), which has been established by photophysical, DFT and rheological studies.

Hybrid method based on embedded coupled simulation of vortex particles in grid based solution

Science.gov (United States)

Kornev, Nikolai

2017-09-01

The paper presents a novel hybrid approach developed to improve the resolution of concentrated vortices in computational fluid mechanics. The method is based on combination of a grid based and the grid free computational vortex (CVM) methods. The large scale flow structures are simulated on the grid whereas the concentrated structures are modeled using CVM. Due to this combination the advantages of both methods are strengthened whereas the disadvantages are diminished. The procedure of the separation of small concentrated vortices from the large scale ones is based on LES filtering idea. The flow dynamics is governed by two coupled transport equations taking two-way interaction between large and fine structures into account. The fine structures are mapped back to the grid if their size grows due to diffusion. Algorithmic aspects of the hybrid method are discussed. Advantages of the new approach are illustrated on some simple two dimensional canonical flows containing concentrated vortices.

Coupling of a single NV center to a fiber-based microcavity

International Nuclear Information System (INIS)

Christoph Becher

2014-01-01

The read-out of the spin state of a NV center in diamond or the transfer of quantum information between its spin and a photon would profit enormously from coupling the NV center's optical transitions to a microcavity with a highly directional output. We here report on such a coupling of a single NV center in a nanodiamond to a fiber-based, tunable microcavity at room temperature. Making use of the NV center's strongly broadened emission we operate in the regime of phonon-assisted cavity seeding and realize a widely tunable, narrow-band single photon source. A master equation model well reproduces our experimental results and predicts a transition into a Purcell-enhanced emission regime at low temperatures where up to 65% of the NV emission would be channeled into the cavity mode for our given experimental parameters. Further reducing scattering losses from the nanodiamonds could enable schemes for cavity-enhanced spin measurements or creation of entangled states. (author)

Research on FBG-based longitudinal-acousto-optic modulator with Fourier mode coupling method.

Science.gov (United States)

Li, Zhuoxuan; Pei, Li; Liu, Chao; Ning, Tigang; Yu, Shaowei

2012-10-20

Fourier mode coupling model was first applied to achieve the spectra property of a fiber Bragg grating (FBG)-based longitudinal-acousto-optic modulator. Compared with traditional analysis algorithms, such as the transfer matrix method, the Fourier mode coupling model could improve the computing efficiency up to 100 times with a guarantee of accuracy. In this paper, based on the theoretical analysis of this model, the spectra characteristics of the modulator in different frequencies and acoustically induced strains were numerically simulated. In the experiment, a uniform FBG was modulated by acoustic wave (AW) at 12 different frequencies. In particular, the modulator responses at 563 and 885.5 KHz with three different lead zirconate titanate (PZT) loads applied were plotted for illustration, and the linear fitting of experimental data demonstrated a good match with the simulation result. The acoustic excitation of the longitudinal wave is obtained using a conic silica horn attached to the surface of a shear-mode PZT plate paralleled to the fiber axis. This way of generating longitudinal AW with a transversal PZT may shed light on the optimal structural design for the FBG-based longitudinal-acousto-optic modulator.

Magnetic nanoparticles in fluid environment: combining molecular dynamics and Lattice-Boltzmann

Energy Technology Data Exchange (ETDEWEB)

Melenev, Petr, E-mail: melenev@icmm.ru [Ural Federal University, 4, Turgeneva str., 620000 Ekaterinburg (Russian Federation); Institute of Continuous Media Mechanics, 1, Koroleva str., 614013 Perm (Russian Federation)

2017-06-01

Hydrodynamic interactions between magnetic nanoparticles suspended in the Newtonian liquid are accounted for using a combination of the lattice Boltzmann method and molecular dynamics simulations. Nanoparticle is modelled by the system of molecular dynamics material points (which form structure resembles raspberry) coupled to the lattice Boltzmann fluid. The hydrodynamic coupling between the colloids is studied by simulations of the thermo-induced rotational diffusion of two raspberry objects. It was found that for the considered range of model parameters the approaching of the raspberries leads to slight retard of the relaxation process. The presence of the weak magnetic dipolar interaction between the objects leads to modest decrease of the relaxation time and the extent of the acceleration of the diffusion is intensified along with magnetic forces. - Highlights: • The combination of molecular dynamics and lattice Boltzmann method is utilized for the reveal of the role of hydrodynamic interaction in rotational dynamics of colloid particles. • The verification of the model parameters is done based on the comparison with the results of Langevin dynamics. • For the task of free rotational diffusion of the pair of colloid particles the influence of the hydrodynamic interactions on the relaxation time is examined in the case of nonmagnetic particles and at the presence of weak dipolar interaction.

Retardation effects on the dispersion and propagation of plasmons in metallic nanoparticle chains

Science.gov (United States)

Downing, Charles A.; Mariani, Eros; Weick, Guillaume

2018-01-01

We consider a chain of regularly-spaced spherical metallic nanoparticles, where each particle supports three degenerate localized surface plasmons. Due to the dipolar interaction between the nanoparticles, the localized plasmons couple to form extended collective modes. Using an open quantum system approach in which the collective plasmons are interacting with vacuum electromagnetic modes and which, importantly, readily incorporates retardation via the light-matter coupling, we analytically evaluate the resulting radiative frequency shifts of the plasmonic bandstructure. For subwavelength-sized nanoparticles, our analytical treatment provides an excellent quantitative agreement with the results stemming from laborious numerical calculations based on fully-retarded solutions to Maxwell’s equations. Indeed, the explicit expressions for the plasmonic spectrum which we provide showcase how including retardation gives rise to a logarithmic singularity in the bandstructure of transverse-polarized plasmons. We further study the impact of retardation effects on the propagation of plasmonic excitations along the chain. While for the longitudinal modes, retardation has a negligible effect, we find that the retarded dipolar interaction can significantly modify the plasmon propagation in the case of transverse-polarized modes. Moreover, our results elucidate the analogy between radiative effects in nanoplasmonic systems and the cooperative Lamb shift in atomic physics.

Explosive electromagnetic radiation by the relaxation of a multimode magnon system.

Science.gov (United States)

Vasyuchka, V I; Serga, A A; Sandweg, C W; Slobodianiuk, D V; Melkov, G A; Hillebrands, B

2013-11-01

Microwave emission from a parametrically pumped ferrimagnetic film of yttrium iron garnet was studied versus the magnon density evolution, which was detected by Brillouin light scattering spectroscopy. It has been found that the shutdown of external microwave pumping leads to an unexpected effect: The conventional monotonic decrease of the population of parametrically injected magnons is accompanied by an explosive behavior of electromagnetic radiation at the magnon frequency. The developed theory shows that this explosion is caused by a nonlinear energy transfer from parametrically driven short-wavelength dipolar-exchange magnons to a long-wavelength dipolar magnon mode effectively coupled to an electromagnetic wave.

NMR scalar couplings across Watson–Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy

Science.gov (United States)

Pervushin, Konstantin; Ono, Akira; Fernández, César; Szyperski, Thomas; Kainosho, Masatsune; Wüthrich, Kurt

1998-01-01

This paper describes the NMR observation of 15N—15N and 1H—15N scalar couplings across the hydrogen bonds in Watson–Crick base pairs in a DNA duplex, hJNN and hJHN. These couplings represent new parameters of interest for both structural studies of DNA and theoretical investigations into the nature of the hydrogen bonds. Two dimensional [15N,1H]-transverse relaxation-optimized spectroscopy (TROSY) with a 15N-labeled 14-mer DNA duplex was used to measure hJNN, which is in the range 6–7 Hz, and the two-dimensional hJNN-correlation-[15N,1H]-TROSY experiment was used to correlate the chemical shifts of pairs of hydrogen bond-related 15N spins and to observe, for the first time, hJHN scalar couplings, with values in the range 2–3.6 Hz. TROSY-based studies of scalar couplings across hydrogen bonds should be applicable for large molecular sizes, including protein-bound nucleic acids. PMID:9826668

Recoupling and decoupling of nuclear spin interactions at high MAS frequencies: numerical design of CNnν symmetry-based RF pulse schemes

International Nuclear Information System (INIS)

Herbst, Christian; Herbst, Jirada; Kirschstein, Anika; Leppert, Joerg; Ohlenschlaeger, Oliver; Goerlach, Matthias; Ramachandran, Ramadurai

2009-01-01

The CN n ν class of RF pulse schemes, commonly employed for recoupling and decoupling of nuclear spin interactions in magic angle spinning solid state NMR studies of biological systems, involves the application of a basic 'C' element corresponding to an RF cycle with unity propagator. In this study, the design of CN n ν symmetry-based RF pulse sequences for achieving 13 C- 13 C double-quantum dipolar recoupling and through bond scalar coupling mediated 13 C- 13 C chemical shift correlation has been examined at high MAS frequencies employing broadband, constant-amplitude, phase-modulated basic 'C' elements. The basic elements were implemented as a sandwich of a small number of short pulses of equal duration with each pulse characterised by an RF phase value. The phase-modulation profile of the 'C' element was optimised numerically so as to generate efficient RF pulse sequences. The performances of the sequences were evaluated via numerical simulations and experimental measurements and are presented here

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.

Research on the Diagnosis of Rotor Coupling Fault Based on Wavelet Packet and Local Fisher Discriminant

Directory of Open Access Journals (Sweden)

Guangbin Wang