General quadrupolar statistical anisotropy: Planck limits

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramazanov, S.; Rubtsov, G.; Thorsrud, M.

2017-03-01

Several early Universe scenarios predict a direction-dependent spectrum of primordial curvature perturbations. This translates into the violation of the statistical isotropy of cosmic microwave background radiation. Previous searches for statistical anisotropy mainly focussed on a quadrupolar direction-dependence characterised by a single multipole vector and an overall amplitude g {sub *}. Generically, however, the quadrupole has a more complicated geometry described by two multipole vectors and g {sub *}. This is the subject of the present work. In particular, we limit the amplitude g {sub *} for different shapes of the quadrupole by making use of Planck 2015 maps. We alsomore » constrain certain inflationary scenarios which predict this kind of more general quadrupolar statistical anisotropy.« less

Second-order quadrupolar line shapes under molecular dynamics: An additional transition in the extremely fast regime.

PubMed

Hung, Ivan; Wu, Gang; Gan, Zhehong

NMR spectroscopy is a powerful tool for probing molecular dynamics. For the classic case of two-site exchange, NMR spectra go through the transition from exchange broadening through coalescence and then motional narrowing as the exchange rate increases passing through the difference between the resonance frequencies of the two sites. For central-transition spectra of half-integer quadrupolar nuclei in solids, line shape change due to molecular dynamics occurs in two stages. The first stage occurs when the exchange rate is comparable to the second-order quadrupolar interaction. The second spectral transition comes at a faster exchange rate which approaches the Larmor frequency and generally reduces the isotropic quadrupolar shift. Such a two-stage transition phenomenon is unique to half-integer quadrupolar nuclei. A quantum mechanical formalism in full Liouville space is presented to explain the physical origin of the two-stage phenomenon and for use in spectral simulations. Variable-temperature 17 O NMR of solid NaNO 3 in which the NO 3 - ion undergoes 3-fold jumps confirms the two-stage transition process. The spectra of NaNO 3 acquired in the temperature range of 173-413K agree well with simulations using the quantum mechanical formalism. The rate constants for the 3-fold NO 3 - ion jumps span eight orders of magnitude (10 2 -10 10 s -1 ) covering both transitions of the dynamic 17 O line shape. Copyright © 2016 Elsevier Inc. All rights reserved.

Quadrupole terms in the Maxwell equations: Debye-Hückel theory in quadrupolarizable solvent and self-salting-out of electrolytes.

PubMed

Slavchov, Radomir I

2014-04-28

If the molecules of a given solvent possess significant quadrupolar moment, the macroscopic Maxwell equations must involve the contribution of the density of the quadrupolar moment to the electric displacement field. This modifies the Poisson-Boltzmann equation and all consequences from it. In this work, the structure of the diffuse atmosphere around an ion dissolved in quadrupolarizable medium is analyzed by solving the quadrupolar variant of the Coulomb-Ampere's law of electrostatics. The results are compared to the classical Debye-Hückel theory. The quadrupolar version of the Debye-Hückel potential of a point charge is finite even in r = 0. The ion-quadrupole interaction yields a significant expansion of the diffuse atmosphere of the ion and, thus, it decreases the Debye-Hückel energy. In addition, since the dielectric permittivity of the electrolyte solutions depends strongly on concentration, the Born energy of the dissolved ions alters with concentration, which has a considerable contribution to the activity coefficient γ± known as the self-salting-out effect. The quadrupolarizability of the medium damps strongly the self-salting-out of the electrolyte, and thus it affects additionally γ±. Comparison with experimental data for γ± for various electrolytes allows for the estimation of the quadrupolar length of water: LQ ≈ 2 Å, in good agreement with previous assessments. The effect of quadrupolarizability is especially important in non-aqueous solutions. Data for the activity of NaBr in methanol is used to determine the quadrupolarizability of methanol with good accuracy.

On the possibility to detect multipolar order in URu 2 Si 2 by the electric quadrupolar transition of resonant elastic x-ray scattering

DOE PAGES

Wang, Y. L.; Fabbris, G.; Meyers, D.; ...

2017-08-30

Resonant elastic x-ray scattering is a powerful technique for measuring multipolar order parameters. In this paper, we theoretically and experimentally study the possibility of using this technique to detect the proposed multipolar order parameters in URu 2 Si 2 at the U- L 3 edge with the electric quadrupolar transition. Based on an atomic model, we calculate the azimuthal dependence of the quadrupolar transition at the U- L 3 edge. Our results illustrate the potential of this technique for distinguishing different multipolar order parameters. We then perform experiments on ultraclean single crystals of URu 2 Si 2 at the U-more » L 3 edge to search for the predicted signal, but do not detect any indications of multipolar moments within the experimental uncertainty. We also theoretically estimate the orders of magnitude of the cross section and the expected count rate of the quadrupolar transition and compare them to the dipolar transitions at the U- M 4 and U- L 3 edges, clarifying the difficulty in detecting higher order multipolar order parameters in URu 2 Si 2 in the current experimental setup.« less

Coaxial ion trap mass spectrometer: concentric toroidal and quadrupolar trapping regions.

PubMed

Peng, Ying; Hansen, Brett J; Quist, Hannah; Zhang, Zhiping; Wang, Miao; Hawkins, Aaron R; Austin, Daniel E

2011-07-15

We present the design and results for a new radio-frequency ion trap mass analyzer, the coaxial ion trap, in which both toroidal and quadrupolar trapping regions are created simultaneously. The device is composed of two parallel ceramic plates, the facing surfaces of which are lithographically patterned with concentric metal rings and covered with a thin film of germanium. Experiments demonstrate that ions can be trapped in either region, transferred from the toroidal to the quadrupolar region, and mass-selectively ejected from the quadrupolar region to a detector. Ions trapped in the toroidal region can be transferred to the quadrupole region using an applied ac signal in the radial direction, although it appears that the mechanism of this transfer does not involve resonance with the ion secular frequency, and the process is not mass selective. Ions in the quadrupole trapping region are mass analyzed using dipole resonant ejection. Multiple transfer steps and mass analysis scans are possible on a single population of ions, as from a single ionization/trapping event. The device demonstrates better mass resolving power than the radially ejecting halo ion trap and better sensitivity than the planar quadrupole ion trap.

Indirect measurement of N-14 quadrupolar coupling for NH3 intercalated in potassium graphite

NASA Technical Reports Server (NTRS)

Tsang, T.; Fronko, R. M.; Resing, H. A.

1987-01-01

A method for indirect measurement of the nuclear quadrupolar coupling was developed and applied to NH3 molecules in the graphite intercalation compound K(NH3)4.3C24, which has a layered structure with alternating carbon and intercalant layers. Three triplets were observed in the H-1 NMR spectra of the compound. The value of the N-14 quadrupolar coupling constant of NH3 (3.7 MHz), determined indirectly from the H-1 NMR spectra, was intermediate between the gas value of 4.1 MHz and the solid-state value of 3.2 MHz. The method was also used to deduce the (H-1)-(H-1) and (N-14)-(H-1) dipolar interactions, the H-1 chemical shifts, and the molecular orientations and motions of NH3.

Two spinning ways for precession dynamo.

PubMed

Cappanera, L; Guermond, J-L; Léorat, J; Nore, C

2016-04-01

It is numerically demonstrated by means of a magnetohydrodynamic code that precession can trigger dynamo action in a cylindrical container. Fixing the angle between the spin and the precession axis to be 1/2π, two limit configurations of the spinning axis are explored: either the symmetry axis of the cylinder is parallel to the spin axis (this configuration is henceforth referred to as the axial spin case), or it is perpendicular to the spin axis (this configuration is referred to as the equatorial spin case). In both cases, the centro-symmetry of the flow breaks when the kinetic Reynolds number increases. Equatorial spinning is found to be more efficient in breaking the centro-symmetry of the flow. In both cases, the average flow in the reference frame of the mantle converges to a counter-rotation with respect to the spin axis as the Reynolds number grows. We find a scaling law for the average kinetic energy in term of the Reynolds number in the axial spin case. In the equatorial spin case, the unsteady asymmetric flow is shown to be capable of sustaining dynamo action in the linear and nonlinear regimes. The magnetic field is mainly dipolar in the equatorial spin case, while it is is mainly quadrupolar in the axial spin case.

The elastic energy and character of quakes in solid stars and planets

NASA Technical Reports Server (NTRS)

Pines, D.; Shaham, J.

1972-01-01

The quadrupolar mechanical energy of a rotating axially symmetric solid planet (with or without a liquid interior) is calculated using methods previously developed for neutron stars in which an elastic reference tensor is introduced to describe the build-up of elastic energy in the star. The basic parameters of the theory (the gravitational energy A and elastic energy B) depend upon the internal structure of the planet and may be calculated from specific planetary models. Explicit expressions are obtained for the Love numbers, and for the planetary wobble frequency. The theory provides a simple relationship between changes in shape or axis of figure of the planet and elastic energy release. The theory is extended to describe the Earth by taking into account isostasy, triaxiality and the observed lithospheric configuration.

Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Urban, Jeffry Todd

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.more » 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 module for the recently developed NMR remote detection experiment. The feasibility of using hyperpolarized xenon-129 gas as a sensor is discussed. This work also reports the use of an optical atomic magnetometer to detect the nuclear magnetization of Xe-129 gas, which has potential applicability as a detection module for NMR remote detection experiments.« less

Particle-in-cell simulations of asymmetric guide-field reconnection: quadrupolar structure of Hall magnetic field

NASA Astrophysics Data System (ADS)

Schmitz, R. G.; Alves, M. V.; Barbosa, M. V. G.

2017-12-01

One of the most important processes that occurs in Earth's magnetosphere is known as magnetic reconnection (MR). This process can be symmetric or asymmetric, depending basically on the plasma density and magnetic field in both sides of the current sheet. A good example of symmetric reconnection in terrestrial magnetosphere occurs in the magnetotail, where these quantities are similar on the north and south lobes. In the dayside magnetopause MR is asymmetric, since the plasma regimes and magnetic fields of magnetosheath and magnetosphere are quite different. Symmetric reconnection has some unique signatures. For example, the formation of a quadrupolar structure of Hall magnetic field and a bipolar Hall electric field that points to the center of the current sheet. The different particle motions in the presence of asymmetries change these signatures, causing the quadrupolar pattern to be distorted and forming a bipolar structure. Also, the bipolar Hall electric field is modified and gives rise to a single peak pointing toward the magnetosheat, considering an example of magnetopause reconnection. The presence of a guide-field can also distort the quadrupolar pattern, by giving a shear angle across the current sheet and altering the symmetric patterns, according to previous simulations and observations. Recently, a quadrupolar structure was observed in an asymmetric guide-field MR event using MMS (Magnetospheric Multiscale) mission data [Peng et al., JGR, 2017]. This event shows clearly that the density asymmetry and the guide-field were not sufficient to form signatures of asymmetric reconnection. Using the particle-in-cell code iPIC3D [Markidis et al, Mathematics and Computers in Simulation, 2010] with the MMS data from this event used to define input parameters, we found a quadrupolar structure of Hall magnetic field and a bipolar pattern of Hall electric field in ion scales, showing that our results are in an excellent agreement with the MMS observations. To our knowledge, this is the first time PIC simulations show this kind of results, since previous simulations have predicted bipolar pattern in the asymmetric guide-field reconnection.

Effective Floquet Hamiltonian theory of multiple-quantum NMR in anisotropic solids involving quadrupolar spins: Challenges and Perspectives

NASA Astrophysics Data System (ADS)

Ganapathy, Vinay; Ramachandran, Ramesh

2017-10-01

The response of a quadrupolar nucleus (nuclear spin with I > 1/2) to an oscillating radio-frequency pulse/field is delicately dependent on the ratio of the quadrupolar coupling constant to the amplitude of the pulse in addition to its duration and oscillating frequency. Consequently, analytic description of the excitation process in the density operator formalism has remained less transparent within existing theoretical frameworks. As an alternative, the utility of the "concept of effective Floquet Hamiltonians" is explored in the present study to explicate the nuances of the excitation process in multilevel systems. Employing spin I = 3/2 as a case study, a unified theoretical framework for describing the excitation of multiple-quantum transitions in static isotropic and anisotropic solids is proposed within the framework of perturbation theory. The challenges resulting from the anisotropic nature of the quadrupolar interactions are addressed within the effective Hamiltonian framework. The possible role of the various interaction frames on the convergence of the perturbation corrections is discussed along with a proposal for a "hybrid method" for describing the excitation process in anisotropic solids. Employing suitable model systems, the validity of the proposed hybrid method is substantiated through a rigorous comparison between simulations emerging from exact numerical and analytic methods.

Two-dimensional nuclear magnetic resonance of quadrupolar systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Shuanhu

1997-09-01

This dissertation describes two-dimensional nuclear magnetic resonance theory and experiments which have been developed to study quadruples in the solid state. The technique of multiple-quantum magic-angle spinning (MQMAS) is extensively reviewed and expanded upon in this thesis. Specifically, MQMAS is first compared with another technique, dynamic-angle spinning (DAS). The similarity between the two techniques allows us to extend much of the DAS work to the MQMAS case. Application of MQMAS to a series of aluminum containing materials is then presented. The superior resolution enhancement through MQMAS is exploited to detect the five- and six-coordinated aluminum in many aluminosilicate glasses. Combiningmore » the MQMAS method with other experiments, such as HETCOR, greatly expands the possibility of the use of MQMAS to study a large range of problems and is demonstrated in Chapter 5. Finally, the technique switching-angle spinning (SAS) is applied to quadrupolar nuclei to fully characterize a quadrupolar spin system in which all of the 8 NMR parameters are accurately determined. This dissertation is meant to demonstrate that with the combination of two-dimensional NMR concepts and new advanced spinning technologies, a series of multiple-dimensional NMR techniques can be designed to allow a detailed study of quadrupolar nuclei in the solid state.« less

Indirect detection of 10B (I = 3) overtone NMR at very fast magic angle spinning

NASA Astrophysics Data System (ADS)

Duong, Nghia Tuan; Kuprov, Ilya; Nishiyama, Yusuke

2018-06-01

The application of overtone nuclear magnetic resonance (OT NMR) to symmetric spin transitions of integer quadrupolar nuclei is of considerable interest since this transition is immune to the first-order quadrupolar interaction, thus resulting in narrow NMR lines. Owing to its roles in nature and its high natural abundance, 14N (I = 1) OT NMR has been explored, in which the indirect and/or direct acquisitions of 14N OT were experimentally demonstrated. However, other than 14N nucleus, no OT NMR observation of other integer quadrupolar nuclei has been reported in the literature. In this work, we extend the application of OT NMR to another integer quadrupolar nucleus, namely 10B (I = 3). However, this is not straightforward owing to the unfavorable characteristics of 10B isotope. Here, for the first time, we present the selective acquisition of 10B central (-1 ↔ +1) OT NMR via detection of 1H nuclei on perborate monohydrate sample. Numerical calculations are in a good agreement with the experimental results. Both show that the optimal sensitivity is achieved when the carrier frequency is applied at the second OT spinning sideband, i.e. an offset of twice of the spinning frequency from the center band.

Magnetic Reconnection Controls Impacts of Solar Wind Ions at Mercury's Surface : Investigation By Global Hybrid Simulations

NASA Astrophysics Data System (ADS)

Chanteur, G. M.; Modolo, R.; Leblanc, F.

2014-12-01

MESSENGER has revealed the complexity of the Hermean magnetic field which is dominated by dipolar and quadrupolar components (Anderson et al., 2012 and references therein). By contrast to other magnetized planets having large scale dynamo driven magnetic fields Mercury has a quadrupolar field large enough to reinforce the dipolar field at high northern latitudes and to shape the topology of the planetary field in the equatorial region and the southern hemisphere. Magnetic reconnection at Mercury is extremely effective for all IMF orientations [DiBraccio et al., JGR, 2013]. Global hybrid simulations by Richer et al. (2012) have demonstrated the dramatic influence of the quadrupolar field of Mercury on the topology of the Hermean magnetosphere. Then Chanteur et al. (AOGS 2014) have investigated the impacts of solar wind protons and alphas on Mercury's surface with the same hybrid code and have presented a case study to demonstrate the importance of magnetic reconnection between the IMF and the planetary field in this process. We will present a set of different results corresponding to different configurations depending upon the IMF orientation and solar wind parameters. References Anderson, B. J., C. L. Johnson, H. Korth, R. M. Winslow, J. E. Borovsky, M. E. Purucker, J. A. Slavin, S. C. Solomon, M. T. Zuber, and R. L. McNutt Jr. (2012), Low-degree structure in Mercury's planetary magnetic field, J. Geophys. Res., 117, E00L12, doi:10.1029/2012JE004159. DiBraccio, G. A., J. A. Slavin, S. A. Boardsen, B. J. Anderson, H. Korth, T. H. Zurbuchen, J. M. Raines, D. N. Baker, R. L. McNutt Jr., and S. C. Solomon (2013), MESSENGER observations of magnetopause structure and dynamics at Mercury, J. Geophys. Res. Space Phys., 118, 997-1008, doi:10.1002/jgra50123. Richer, E., R. Modolo, G. M. Chanteur, S. Hess, and F. Leblanc (2012), A global hybrid model for Mercury's interaction with the solar wind: Case study of the dipole representation, J. Geophys. Res., 117, A10228, doi:10.1029/2012JA017898. Chanteur, G.M., R. Modolo, and F. Leblanc (2014), Effect of the Hermean Magnetic quadrupole on Magnetic Reconnection and Penetration of the SW Plasma Inside the Magnetosphere, AOGS, 11th annual meeting, Sapporo, Japan, July 28th - August 1st.

Towards homonuclear J solid-state NMR correlation experiments for half-integer quadrupolar nuclei: experimental and simulated 11B MAS spin-echo dephasing and calculated 2J(BB) coupling constants for lithium diborate.

PubMed

Barrow, Nathan S; Yates, Jonathan R; Feller, Steven A; Holland, Diane; Ashbrook, Sharon E; Hodgkinson, Paul; Brown, Steven P

2011-04-07

Magic-angle spinning (MAS) NMR spin-echo dephasing is systematically investigated for the spin I = 3/2 (11)B nucleus in lithium diborate, Li(2)O·2B(2)O(3). A clear dependence on the quadrupolar frequency (ω(Q)(PAS)/2π = 3C(Q)/[4I(2I- 1)]) is observed: the B3 (larger C(Q)) site dephases more slowly than the B4 site at all investigated MAS frequencies (5 to 20 kHz) at 14.1 T. Increasing the MAS frequency leads to markedly slower dephasing for the B3 site, while there is a much less evident effect for the B4 site. Considering samples at 5, 25, 80 (natural abundance) and 100% (11)B isotopic abundance, dephasing becomes faster for both sites as the (11)B isotopic abundance increases. The experimental behaviour is rationalised using density matrix simulations for two and three dipolar-coupled (11)B nuclei. The experimentally observed slower dephasing for the larger C(Q) (B3) site is reproduced in all simulations and is explained by the reintroduction of the dipolar coupling by the so-called "spontaneous quadrupolar-driven recoupling mechanism" having a different dependence on the MAS frequency for different quadrupolar frequencies. Specifically, isolated spin-pair simulations show that the spontaneous quadrupolar-driven recoupling mechanism is most efficient when the quadrupolar frequency is equal to twice the MAS frequency. While for isolated spin-pair simulations, increasing the MAS frequency leads to faster dephasing, agreement with experiment is observed for three-spin simulations which additionally include the homogeneous nature of the homonuclear dipolar coupling network. First-principles calculations, using the GIPAW approach, of the (2)J(11B-11B) couplings in lithium diborate, metaborate and triborate are presented: a clear trend is revealed whereby the (2)J(11B-11B) couplings increase with increasing B-O-B bond angle and B-B distance. However, the calculated (2)J(11B-11B) couplings are small (0.95, 1.20 and 2.65 Hz in lithium diborate), thus explaining why no zero crossing due to J modulation is observed experimentally, even for the sample at 25% (11)B where significant spin-echo intensity remains out to durations of ∼200 ms.

Quantum phases of quadrupolar Fermi gases in coupled one-dimensional systems

NASA Astrophysics Data System (ADS)

Huang, Wen-Min; Lahrz, M.; Mathey, L.

2014-01-01

Following the recent proposal to create quadrupolar gases [Bhongale et al., Phys. Rev. Lett. 110, 155301 (2013), 10.1103/PhysRevLett.110.155301], we investigate what quantum phases can be created in these systems in one dimension. We consider a geometry of two coupled one-dimensional (1D) systems, and derive the quantum phase diagram of ultracold fermionic atoms interacting via quadrupole-quadrupole interactions within a Tomonaga-Luttinger-liquid framework. We map out the phase diagram as a function of the distance between the two tubes and the angle between the direction of the tubes and the quadrupolar moments. The latter can be controlled by an external field. We show that there are two magic angles θB,1c and θB,2c between 0 and π /2, where the intratube quadrupolar interactions vanish and change signs. Adopting a pseudospin language with regard to the two 1D systems, the system undergoes a spin-gap transition and displays a zigzag density pattern, above θB,2c and below θB,1c. Between the two magic angles, we show that polarized triplet superfluidity and a planar spin-density-wave order compete with each other. The latter corresponds to a bond-order solid in higher dimensions. We demonstrate that this order can be further stabilized by applying a commensurate periodic potential along the tubes.

Electrodeless direct current dielectrophoresis using reconfigurable field-shaping oil barriers.

PubMed

Thwar, Prasanna K; Linderman, Jennifer J; Burns, Mark A

2007-12-01

We demonstrate dielectrophoretic (DEP) potential wells using pairs of insulating oil menisci to shape the DC electric field. These oil menisci are arranged in a configuration similar to the quadrupolar electrodes, typically used in DEP, and are shown to produce similar field gradients. While the one-pair well produces a focusing effect on particles in flow, the two-pair well results in creating spatial traps against crossflows. Uncharged polystyrene particles were used to map the DEP force fields and the experimental observations were compared against the field profiles obtained by numerically solving Maxwell's equations. We demonstrate trapping of a single particle due to negative DEP against a pressure-driven crossflow. This can be easily extended to trap and hold cells and other objects against flow for a longer time. We also show the results of particle trapping experiments performed to observe the effect of adjusting the oil menisci and the gap between two pairs of menisci in a four-menisci configuration on the nature of the DEP well formed at the center. A design parameter, Theta, capturing the dimensions of the DEP energy well, is defined and simulations exploring the effects of different geometric features on Theta are presented.

Quadrupole terms in the Maxwell equations: Born energy, partial molar volume, and entropy of ions.

PubMed

Slavchov, Radomir I; Ivanov, Tzanko I

2014-02-21

A new equation of state relating the macroscopic quadrupole moment density Q to the gradient of the field ∇E in an isotropic fluid is derived: Q = αQ(∇E - U∇·E/3), where the quadrupolarizability αQ is proportional to the squared molecular quadrupole moment. Using this equation of state, a generalized expression for the Born energy of an ion dissolved in quadrupolar solvent is obtained. It turns out that the potential and the energy of a point charge in a quadrupolar medium are finite. From the obtained Born energy, the partial molar volume and the partial molar entropy of a dissolved ion follow. Both are compared to experimental data for a large number of simple ions in aqueous solutions. From the comparison the value of the quadrupolar length LQ is determined, LQ = (αQ/3ɛ)(1/2) = 1-4 Å. Data for ion transfer from aqueous to polar oil solution are analyzed, which allowed for the determination of the quadrupolarizability of nitrobenzene.

Multi-pole orders and Kondo screening: Implications for quantum phase transitions in multipolar heavy-fermion systems

NASA Astrophysics Data System (ADS)

Lai, Hsin-Hua; Nica, Emilian; Si, Qimiao

Motivated by the properties of the heavy-fermion Ce3Pd20Si6 compound which exhibits both antiferro-magnetic (AFM) and antiferro-quadrupolar (AFQ) orders, we study a simplified quantum non-linear sigma model for spin-1 systems, with generalized multi-pole Kondo couplings to conduction electrons. We first consider the case when an SU(3) symmetry relates the spin and quadrupolar channels. We then analyze the effect of breaking the SU(3) symmetry, so that the interaction parameters in the spin and quadrupolar sectors are no longer equivalent, and different stages of Kondo screenings are allowed. A renormalization group analysis is used to analyze the interplay between the Kondo effect and the AFM/AFQ orders. Our work paves the way for understanding the global phase diagram in settings beyond the prototypical spin-1/2 cases. We also discuss similar considerations in the non-Kramers systems such as the heavy fermion compound PrV2Al20

Direct observation of spin-quadrupolar excitations in Sr2CoGe2O7 by high-field electron spin resonance

NASA Astrophysics Data System (ADS)

Akaki, Mitsuru; Yoshizawa, Daichi; Okutani, Akira; Kida, Takanori; Romhányi, Judit; Penc, Karlo; Hagiwara, Masayuki

2017-12-01

Exotic spin-multipolar ordering in spin transition metal insulators has so far eluded unambiguous experimental observation. A less studied, but perhaps more feasible fingerprint of multipole character emerges in the excitation spectrum in the form of quadrupolar transitions. Such multipolar excitations are desirable as they can be manipulated with the use of light or electric field and can be captured by means of conventional experimental techniques. Here we study single crystals of multiferroic Sr2CoGe2O7 and observe a two-magnon spin excitation appearing above the saturation magnetic field in electron spin resonance (ESR) spectra. Our analysis of the selection rules reveals that this spin excitation mode does not couple to the magnetic component of the light, but it is excited by the electric field only, in full agreement with the theoretical calculations. Due to the nearly isotropic nature of Sr2CoGe2O7 , we identify this excitation as a purely spin-quadrupolar two-magnon mode.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hosseinpour, M.; Mohammadi, M. A.

The effect of equilibrium shear flow on the structure of out-of-plane magnetic field is analytically investigated in the two-fluid magnetohydrodynamic (MHD) regimes of the collisionless tearing instability, where the electron inertia breaks the frozen-in condition. Our scaling analysis reveals that the Alfvénic and sub-Alfvénic shear flows cannot significantly modify the linear regimes of applicability. In addition, we show that the structure of out-of-plane magnetic field can either be quadrupolar or non-quadrupolar in Hall-MHD regimes. In particular, both types of structures can dominate at β < 1 (β is the ratio of plasma kinetic pressure to the pressure in the magneticmore » field) depending on the value of the normalized ion inertial skin depth. This conclusion, however, is in contradiction to the claim presented by Rogers et al. [J. Geophys. Res. 108, A3 (2003)], which states that the quadrupolar structure cannot appear at β < 1. The reasons of this disagreement are discussed in our study.« less

Intermolecular interactions between imidazole derivatives intercalated in layered solids. Substituent group effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

González, M.; Lemus-Santana, A.A.; Rodríguez-Hernández, J.

2013-08-15

This study sheds light on the intermolecular interactions between imidazole derive molecules (2-methyl-imidazole, 2-ethyl-imidazole and benzimidazole) intercalated in T[Ni(CN){sub 4}] layers to form a solid of formula unit T(ImD){sub 2}[Ni(CN){sub 4}]. These hybrid inorganic–organic solids were prepared by soft chemical routes and their crystal structures solved and refined from X-ray powder diffraction data. The involved imidazole derivative molecules were found coordinated through the pyridinic N atom to the axial positions for the metal T in the T[Ni(CN){sub 4}] layer. In the interlayers region ligand molecules from neighboring layers remain stacked in a face-to-face configuration through dipole–dipole and quadrupole–quadrupole interactions. Thesemore » intermolecular interactions show a pronounced dependence on the substituent group and are responsible for an ImD-pillaring concatenation of adjacent layers. This is supported by the structural information and the recorded magnetic data in the 2–300 K temperature range. The samples containing Co and Ni are characterized by presence of spin–orbit coupling and pronounced temperature dependence for the effective magnetic moment except for 2-ethyl-imidazole related to the local distortion for the metal coordination environment. For this last one ligand a weak ferromagnetic ordering ascribed to a super-exchange interaction between T metals from neighboring layers through the ligands π–π interaction was detected. - Graphical abstract: In the interlayers region imidazole derivative molecules are oriented according to their dipolar and quadrupolar interactions and minimizing the steric impediment. Highlights: • Imidazole derivatives intercalation compounds. • Intermolecular interaction between intercalated imidazole derivatives. • Hybrid inorganic–organic solids. • Pi–pi interactions and ferromagnetic coupling. • Dipolar and quadrupolar interactions between intercalated imidazole derivatives.« less

Laser-directed hierarchical assembly of liquid crystal defects and control of optical phase singularities

PubMed Central

Ackerman, Paul J.; Qi, Zhiyuan; Lin, Yiheng; Twombly, Christopher W.; Laviada, Mauricio J.; Lansac, Yves; Smalyukh, Ivan I.

2012-01-01

Topological defect lines are ubiquitous and important in a wide variety of fascinating phenomena and theories in many fields ranging from materials science to early-universe cosmology, and to engineering of laser beams. However, they are typically hard to control in a reliable manner. Here we describe facile erasable “optical drawing” of self-assembled defect clusters in liquid crystals. These quadrupolar defect clusters, stabilized by the medium's chirality and the tendency to form twisted configurations, are shaped into arbitrary two-dimensional patterns, including reconfigurable phase gratings capable of generating and controlling optical phase singularities in laser beams. Our findings bridge the studies of defects in condensed matter physics and optics and may enable applications in data storage, singular optics, displays, electro-optic devices, diffraction gratings, as well as in both optically- and electrically-addressed pixel-free spatial light modulators. PMID:22679553

Laser-Directed Hierarchical Assembly of Liquid Crystal Defects and Control of Optical Phase Singularities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ackerman, P. J.; Qi, Z. Y.; Lin, Y. H.

2012-06-07

Topological defect lines are ubiquitous and important in a wide variety of fascinating phenomena and theories in many fields ranging from materials science to early-universe cosmology, and to engineering of laser beams. However, they are typically hard to control in a reliable manner. Here we describe facile erasable 'optical drawing' of self-assembled defect clusters in liquid crystals. These quadrupolar defect clusters, stabilized by the medium's chirality and the tendency to form twisted configurations, are shaped into arbitrary two-dimensional patterns, including reconfigurable phase gratings capable of generating and controlling optical phase singularities in laser beams. Our findings bridge the studies ofmore » defects in condensed matter physics and optics and may enable applications in data storage, singular optics, displays, electro-optic devices, diffraction gratings, as well as in both optically- and electrically-addressed pixel-free spatial light modulators.« less

Effects of magnetic fields and slow rotation in white dwarfs

NASA Astrophysics Data System (ADS)

Terrero, D. Alvear; Paret, D. Manreza; Martínez, A. Pérez

In this work we use Hartle’s formalism to study the effects of rotation in the structure of magnetized white dwarfs within the framework of general relativity. We describe the inner matter by means of an equation of state for electrons under the action of a constant magnetic field, which introduces an anisotropy in the pressures. Solutions correspond to typical densities of white dwarfs and values of magnetic field below 1013G considering perpendicular and parallel pressures independently, as if associated to two different equations of state. Rotation effects obtained account for an increase of the maximum mass for both magnetized and nonmagnetized stable configurations, up to about 1.5M⊙. Further effects studied include the deformation of the stars, which become oblate spheroids and the solutions for other quantities of interest, such as the moment of inertia, quadrupolar momentum and eccentricity. In all cases, rotation effects are dominant with respect to those of the magnetic field.

Characterization of Non-Innocent Metal Complexes Using Solid-State NMR Spectroscopy: o-Dioxolene Vanadium Complexes

PubMed Central

Chatterjee, Pabitra B.; Goncharov-Zapata, Olga; Quinn, Laurence L.; Hou, Guangjin; Hamaed, Hiyam; Schurko, Robert W.; Polenova, Tatyana; Crans, Debbie C.

2012-01-01

51V solid-state NMR (SSNMR) studies of a series of non-innocent vanadium(V) catechol complexes have been conducted to evaluate the possibility that 51V NMR observables, quadrupolar and chemical shift anisotropies, and electronic structures of such compounds can be used to characterize these compounds. The vanadium(V) catechol complexes described in these studies have relatively small quadrupolar coupling constants, which cover a surprisingly small range from 3.4 to 4.2 MHz. On the other hand, isotropic 51V NMR chemical shifts cover a wide range from −200 ppm to 400 ppm in solution and from −219 to 530 ppm in the solid state. A linear correlation of 51V NMR isotropic solution and solid-state chemical shifts of complexes containing non-innocent ligands is observed. These experimental results provide the information needed for the application of 51V SSNMR spectroscopy in characterizing the electronic properties of a wide variety of vanadium-containing systems, and in particular those containing non-innocent ligands and that have chemical shifts outside the populated range of −300 ppm to −700 ppm. The studies presented in this report demonstrate that the small quadrupolar couplings covering a narrow range of values reflect the symmetric electronic charge distribution, which is also similar across these complexes. These quadrupolar interaction parameters alone are not sufficient to capture the rich electronic structure of these complexes. In contrast, the chemical shift anisotropy tensor elements accessible from 51V SSNMR experiments are a highly sensitive probe of subtle differences in electronic distribution and orbital occupancy in these compounds. Quantum chemical (DFT) calculations of NMR parameters for [VO(hshed)(Cat)] yield 51V CSA tensor in reasonable agreement with the experimental results, but surprisingly, the calculated quadrupolar coupling constant is significantly greater than the experimental value. The studies demonstrate that substitution of the catechol ligand with electron donating groups results in an increase in the HOMO-LUMO gap and can be directly followed by an upfield shift for the vanadium catechol complex. In contrast, substitution of the catechol ligand with electron withdrawing groups results in a decrease in the HOMO-LUMO gap and can directly be followed by a downfield shift for the complex. The vanadium catechol complexes were used in this work because the 51V is a half-integer quadrupolar nucleus whose NMR observables are highly sensitive to the local environment. However, the results are general and could be extended to other redox active complexes that exhibit similar coordination chemistry as the vanadium catechol complexes. PMID:21842875

Quadrupolar Kondo effect in uranium heavy-electron materials?

NASA Technical Reports Server (NTRS)

Cox, D. L.

1987-01-01

The possibility of an electric quadrupole Kondo effect for a non-Kramers doublet on a uranium (U) ion is a cubic metallic host is demonstrated by model calculations showing a Kondo upturn in the resistivity, universal quenching of the quadrupolar moment, and a heavy-electron anomaly in the electronic specific heat. With inclusion of excited crystal-field levels, some of the unusual magnetic-response data in the heavy-electron superconductor UBe13 may be understood. Structural phase transitions at unprecedented low temperatures may occur in U-based heavy-electron materials.

Saturation capability of short phase modulated pulses facilitates the measurement of longitudinal relaxation times of quadrupolar nuclei.

PubMed

Makrinich, Maria; Gupta, Rupal; Polenova, Tatyana; Goldbourt, Amir

The ability of various pulse types, which are commonly applied for distance measurements, to saturate or invert quadrupolar spin polarization has been compared by observing their effect on magnetization recovery curves under magic-angle spinning. A selective central transition inversion pulse yields a bi-exponential recovery for a diamagnetic sample with a spin-3/2, consistent with the existence of two processes: the fluctuations of the electric field gradients with identical single (W 1 ) and double (W 2 ) quantum quadrupolar-driven relaxation rates, and spin exchange between the central transition of one spin and satellite transitions of a dipolar-coupled similar spin. Using a phase modulated pulse, developed for distance measurements in quadrupolar spins (Nimerovsky et al., JMR 244, 2014, 107-113) and suggested for achieving the complete saturation of all quadrupolar spin energy levels, a mono-exponential relaxation model fits the data, compatible with elimination of the spin exchange processes. Other pulses such as an adiabatic pulse lasting one-third of a rotor period, and a two-rotor-period long continuous-wave pulse, both used for distance measurements under special experimental conditions, yield good fits to bi-exponential functions with varying coefficients and time constants due to variations in initial conditions. Those values are a measure of the extent of saturation obtained from these pulses. An empirical fit of the recovery curves to a stretched exponential function can provide general recovery times. A stretching parameter very close to unity, as obtained for a phase modulated pulse but not for other cases, suggests that in this case recovery times and longitudinal relaxation times are similar. The results are experimentally demonstrated for compounds containing 11 B (spin-3/2) and 51 V (spin-7/2). We propose that accurate spin lattice relaxation rates can be measured by a short phase modulated pulse (<1-2ms), similarly to the "true T 1 " measured by saturation with an asynchronous pulse train (Yesinowski, JMR 252, 2015, 135-144). Copyright © 2017 Elsevier Inc. All rights reserved.

Bloch equations applied to ion cyclotron resonance spectroscopy: Broadband interconversion between magnetron and cyclotron motion for ion axialization

NASA Astrophysics Data System (ADS)

Guan, Shenheng; Marshall, Alan G.

1993-03-01

Conversion of magnetron motion to cyclotron motion combined with collisional cooling of the cyclotron motion provides an efficient way to reduce the kinetic energy of trapped heavy ions and to reduce their magnetron radii in an ion cyclotron resonance (ICR) ion trap. The coupling of magnetron and cyclotron motion can be realized by azimuthal quadrupolar excitation. Theoretical understanding of the coupling process has until now been based on resonant single-frequency quadrupolar excitation at the combination frequency ωc=ω++ω-, in which ωc is the ion cyclotron orbital frequency in the absence of electrostatic field; and ω+ and ω- are the reduced cyclotron and magnetron frequencies in the presence of an electrostatic trapping potential. In this work, we prove that the magnetron/cyclotron coupling is closely related to a two energy level system whose behavior is described by the well-known Bloch equations. By means of a special transformation, the equations of motion for the coupling may be expressed in Bloch-type equations in spherical coordinates. We show that magnetron-to-cyclotron conversion by single-frequency quadrupolar excitation in ICR is analogous to a 180° pulse in nuclear magnetic resonance (NMR). We go on to show that simultaneous magnetron-to-cyclotron conversion of ions over a finite mass-to-charge ratio range may be produced by quadrupolar frequency-sweep excitation, by analogy to adiabatic rapid passage in magnetic resonance. Axialization by broadband magnetron-to-cyclotron conversion followed by cyclotron cooling is successfully demonstrated experimentally for a crude oil distillate sample.

Suppression of nuclear spin bath fluctuations in self-assembled quantum dots induced by inhomogeneous strain

PubMed Central

Chekhovich, E.A.; Hopkinson, M.; Skolnick, M.S.; Tartakovskii, A.I.

2015-01-01

Interaction with nuclear spins leads to decoherence and information loss in solid-state electron-spin qubits. One particular, ineradicable source of electron decoherence arises from decoherence of the nuclear spin bath, driven by nuclear–nuclear dipolar interactions. Owing to its many-body nature nuclear decoherence is difficult to predict, especially for an important class of strained nanostructures where nuclear quadrupolar effects have a significant but largely unknown impact. Here, we report direct measurement of nuclear spin bath coherence in individual self-assembled InGaAs/GaAs quantum dots: spin-echo coherence times in the range 1.2–4.5 ms are found. Based on these values, we demonstrate that strain-induced quadrupolar interactions make nuclear spin fluctuations much slower compared with lattice-matched GaAs/AlGaAs structures. Our findings demonstrate that quadrupolar effects can potentially be used to engineer optically active III-V semiconductor spin-qubits with a nearly noise-free nuclear spin bath, previously achievable only in nuclear spin-0 semiconductors, where qubit network interconnection and scaling are challenging. PMID:25704639

Monte Carlo simulations of dipolar and quadrupolar linear Kihara fluids. A test of thermodynamic perturbation theory

NASA Astrophysics Data System (ADS)

Garzon, B.

Several simulations of dipolar and quadrupolar linear Kihara fluids using the Monte Carlo method in the canonical ensemble have been performed. Pressure and internal energy have been directly determined from simulations and Helmholtz free energy using thermodynamic integration. Simulations were carried out for fluids of fixed elongation at two different densities and several values of temperature and dipolar or quadrupolar moment for each density. Results are compared with the perturbation theory developed by Boublik for this same type of fluid and good agreement between simulated and theoretical values was obtained especially for quadrupole fluids. Simulations are also used to obtain the liquid structure giving the first few coefficients of the expansion of pair correlation functions in terms of spherical harmonics. Estimations of the triple point temperature to critical temperature ratio are given for some dipole and quadrupole linear fluids. The stability range of the liquid phase of these substances is shortly discussed and an analysis about the opposite roles of the dipole moment and the molecular elongation on this stability is also given.

Efficient Time Propagation Technique for MAS NMR Simulation: Application to Quadrupolar Nuclei.

PubMed

Charpentier; Fermon; Virlet

1998-06-01

The quantum mechanical Floquet theory is investigated in order to derive an efficient way of performing numerical calculations of the dynamics of nuclear spin systems in MAS NMR experiments. Here, we take advantage of time domain integration of the quantum evolution over one period as proposed by Eden et al. (1). But a full investigation of the propagator U(t, t0), and especially its dependence with respect to t and t0 within a formalized approach, leads to further simplifications and to a substantial reduction in computation time when performing powder averaging for any complex sequence. Such an approximation is suitable for quadrupolar nuclei (I > 1/2) and can be applied to the simulation of the RIACT (rotational induced adiabatic coherence transfer) phenomenon that occurs under special experimental conditions in spin locking experiments (2-4). The present method is also compared to the usual infinite dimensional Floquet space approach (5, 6), which is shown to be rather inefficient. As far as we know, it has never been reported for quadrupolar nuclei with I >/= 3/2 in spin locking experiments. The method can also be easily extended to other areas of spectroscopy. Copyright 1998 Academic Press.

Slow molecular dynamics of water in a lyotropic complex fluid studied by deuterium conventional and spin-lattice relaxometry NMR.

PubMed

Rodríguez, C R; Pusiol, D J; Figueiredo Neto, A M; Seitter, R-O

2002-03-01

A nuclear magnetic resonance study of protons and deuterons in the mesomorphic phases of the micellar lyotropic mixture potassium laurate/1-decanol/heavy water is reported. The slow dynamical behavior of water molecules has been investigated with deuterons spin-lattice relaxation dispersion in the Larmor frequency range 10(3)

Directly comparing GW150914 with numerical solutions of Einstein's equations for binary black hole coalescence

NASA Astrophysics Data System (ADS)

Abbott, B. P.; Abbott, R.; Abbott, T. D.; Abernathy, M. R.; Acernese, F.; Ackley, K.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R. X.; Adya, V. B.; Affeldt, C.; Agathos, M.; Agatsuma, K.; Aggarwal, N.; Aguiar, O. D.; Aiello, L.; Ain, A.; Ajith, P.; Allen, B.; Allocca, A.; Altin, P. A.; Anderson, S. B.; Anderson, W. G.; Arai, K.; Araya, M. C.; Arceneaux, C. C.; Areeda, J. S.; Arnaud, N.; Arun, K. G.; Ascenzi, S.; Ashton, G.; Ast, M.; Aston, S. M.; Astone, P.; Aufmuth, P.; Aulbert, C.; Babak, S.; Bacon, P.; Bader, M. K. M.; Baker, P. T.; Baldaccini, F.; Ballardin, G.; Ballmer, S. W.; Barayoga, J. C.; Barclay, S. E.; Barish, B. C.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barta, D.; Bartlett, J.; Bartos, I.; Bassiri, R.; Basti, A.; Batch, J. C.; Baune, C.; Bavigadda, V.; Bazzan, M.; Bejger, M.; Bell, A. S.; Berger, B. K.; Bergmann, G.; Berry, C. P. L.; Bersanetti, D.; Bertolini, A.; Betzwieser, J.; Bhagwat, S.; Bhandare, R.; Bilenko, I. A.; Billingsley, G.; Birch, J.; Birney, R.; Biscans, S.; Bisht, A.; Bitossi, M.; Biwer, C.; Bizouard, M. A.; Blackburn, J. K.; Blair, C. D.; Blair, D. G.; Blair, R. M.; Bloemen, S.; Bock, O.; Boer, M.; Bogaert, G.; Bogan, C.; Bohe, A.; Bond, C.; Bondu, F.; Bonnand, R.; Boom, B. A.; Bork, R.; Boschi, V.; Bose, S.; Bouffanais, Y.; Bozzi, A.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Briant, T.; Brillet, A.; Brinkmann, M.; Brisson, V.; Brockill, P.; Broida, J. E.; Brooks, A. F.; Brown, D. A.; Brown, D. D.; Brown, N. M.; Brunett, S.; Buchanan, C. C.; Buikema, A.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Buskulic, D.; Buy, C.; Byer, R. L.; Cabero, M.; Cadonati, L.; Cagnoli, G.; Cahillane, C.; Calderón Bustillo, J.; Callister, T.; Calloni, E.; Camp, J. B.; Cannon, K. C.; Cao, J.; Capano, C. D.; Capocasa, E.; Carbognani, F.; Caride, S.; Casanueva Diaz, J.; Casentini, C.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Cella, G.; Cepeda, C. B.; Cerboni Baiardi, L.; Cerretani, G.; Cesarini, E.; Chamberlin, S. J.; Chan, M.; Chao, S.; Charlton, P.; Chassande-Mottin, E.; Cheeseboro, B. D.; Chen, H. Y.; Chen, Y.; Cheng, C.; Chincarini, A.; Chiummo, A.; Cho, H. S.; Cho, M.; Chow, J. H.; Christensen, N.; Chu, Q.; Chua, S.; Chung, S.; Ciani, G.; Clara, F.; Clark, J. A.; Cleva, F.; Coccia, E.; Cohadon, P.-F.; Colla, A.; Collette, C. G.; Cominsky, L.; Constancio, M.; Conte, A.; Conti, L.; Cook, D.; Corbitt, T. R.; Cornish, N.; Corsi, A.; Cortese, S.; Costa, C. A.; Coughlin, M. W.; Coughlin, S. B.; Coulon, J.-P.; Countryman, S. T.; Couvares, P.; Cowan, E. E.; Coward, D. M.; Cowart, M. J.; Coyne, D. C.; Coyne, R.; Craig, K.; Creighton, J. D. E.; Cripe, J.; Crowder, S. G.; Cumming, A.; Cunningham, L.; Cuoco, E.; Dal Canton, T.; Danilishin, S. L.; D'Antonio, S.; Danzmann, K.; Darman, N. S.; Dasgupta, A.; Da Silva Costa, C. F.; Dattilo, V.; Dave, I.; Davier, M.; Davies, G. S.; Daw, E. J.; Day, R.; De, S.; DeBra, D.; Debreczeni, G.; Degallaix, J.; De Laurentis, M.; Deléglise, S.; Del Pozzo, W.; Denker, T.; Dent, T.; Dergachev, V.; De Rosa, R.; DeRosa, R. T.; DeSalvo, R.; Devine, R. C.; Dhurandhar, S.; Díaz, M. C.; Di Fiore, L.; Di Giovanni, M.; Di Girolamo, T.; Di Lieto, A.; Di Pace, S.; Di Palma, I.; Di Virgilio, A.; Dolique, V.; Donovan, F.; Dooley, K. L.; Doravari, S.; Douglas, R.; Downes, T. P.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Ducrot, M.; Dwyer, S. E.; Edo, T. B.; Edwards, M. C.; Effler, A.; Eggenstein, H.-B.; Ehrens, P.; Eichholz, J.; Eikenberry, S. S.; Engels, W.; Essick, R. C.; Etzel, T.; Evans, M.; Evans, T. M.; Everett, R.; Factourovich, M.; Fafone, V.; Fair, H.; Fan, X.; Fang, Q.; Farinon, S.; Farr, B.; Farr, W. M.; Favata, M.; Fays, M.; Fehrmann, H.; Fejer, M. M.; Fenyvesi, E.; Ferrante, I.; Ferreira, E. C.; Ferrini, F.; Fidecaro, F.; Fiori, I.; Fiorucci, D.; Fisher, R. P.; Flaminio, R.; Fletcher, M.; Fournier, J.-D.; Frasca, S.; Frasconi, F.; Frei, Z.; Freise, A.; Frey, R.; Frey, V.; Fritschel, P.; Frolov, V. V.; Fulda, P.; Fyffe, M.; Gabbard, H. A. G.; Gair, J. R.; Gammaitoni, L.; Gaonkar, S. G.; Garufi, F.; Gaur, G.; Gehrels, N.; Gemme, G.; Geng, P.; Genin, E.; Gennai, A.; George, J.; Gergely, L.; Germain, V.; Ghosh, Abhirup; Ghosh, Archisman; Ghosh, S.; Giaime, J. A.; Giardina, K. D.; Giazotto, A.; Gill, K.; Glaefke, A.; Goetz, E.; Goetz, R.; Gondan, L.; González, G.; Gonzalez Castro, J. M.; Gopakumar, A.; Gordon, N. A.; Gorodetsky, M. L.; Gossan, S. E.; Gosselin, M.; Gouaty, R.; Grado, A.; Graef, C.; Graff, P. B.; Granata, M.; Grant, A.; Gras, S.; Gray, C.; Greco, G.; Green, A. C.; Groot, P.; Grote, H.; Grunewald, S.; Guidi, G. M.; Guo, X.; Gupta, A.; Gupta, M. K.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hacker, J. J.; Hall, B. R.; Hall, E. D.; Hammond, G.; Haney, M.; Hanke, M. M.; Hanks, J.; Hanna, C.; Hanson, J.; Hardwick, T.; Harms, J.; Harry, G. M.; Harry, I. W.; Hart, M. J.; Hartman, M. T.; Haster, C.-J.; Haughian, K.; Heidmann, A.; Heintze, M. C.; Heitmann, H.; Hello, P.; Hemming, G.; Hendry, M.; Heng, I. S.; Hennig, J.; Henry, J.; Heptonstall, A. W.; Heurs, M.; Hild, S.; Hoak, D.; Hofman, D.; Holt, K.; Holz, D. E.; Hopkins, P.; Hough, J.; Houston, E. A.; Howell, E. J.; Hu, Y. M.; Huang, S.; Huerta, E. A.; Huet, D.; Hughey, B.; Huttner, S. H.; Huynh-Dinh, T.; Indik, N.; Ingram, D. R.; Inta, R.; Isa, H. N.; Isac, J.-M.; Isi, M.; Isogai, T.; Iyer, B. R.; Izumi, K.; Jacqmin, T.; Jang, H.; Jani, K.; Jaranowski, P.; Jawahar, S.; Jian, L.; Jiménez-Forteza, F.; Johnson, W. W.; Jones, D. I.; Jones, R.; Jonker, R. J. G.; Ju, L.; Haris, K.; Kalaghatgi, C. V.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Kapadia, S. J.; Karki, S.; Karvinen, K. S.; Kasprzack, M.; Katsavounidis, E.; Katzman, W.; Kaufer, S.; Kaur, T.; Kawabe, K.; Kéfélian, F.; Kehl, M. S.; Keitel, D.; Kelley, D. B.; Kells, W.; Kennedy, R.; Key, J. S.; Khalili, F. Y.; Khan, I.; Khan, Z.; Khazanov, E. A.; Kijbunchoo, N.; Kim, Chi-Woong; Kim, Chunglee; Kim, J.; Kim, K.; Kim, N.; Kim, W.; Kim, Y.-M.; Kimbrell, S. J.; King, E. J.; King, P. J.; Kissel, J. S.; Klein, B.; Kleybolte, L.; Klimenko, S.; Koehlenbeck, S. M.; Koley, S.; Kondrashov, V.; Kontos, A.; Korobko, M.; Korth, W. Z.; Kowalska, I.; Kozak, D. B.; Kringel, V.; Królak, A.; Krueger, C.; Kuehn, G.; Kumar, P.; Kumar, R.; Kuo, L.; Kutynia, A.; Lackey, B. D.; Landry, M.; Lange, J.; Lantz, B.; Lasky, P. D.; Laxen, M.; Lazzarini, A.; Lazzaro, C.; Leaci, P.; Leavey, S.; Lebigot, E. O.; Lee, C. H.; Lee, H. K.; Lee, H. M.; Lee, K.; Lenon, A.; Leonardi, M.; Leong, J. R.; Leroy, N.; Letendre, N.; Levin, Y.; Lewis, J. B.; Li, T. G. F.; Libson, A.; Littenberg, T. B.; Lockerbie, N. A.; Lombardi, A. L.; Lord, J. E.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J. D.; Lück, H.; Lundgren, A. P.; Lynch, R.; Ma, Y.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Magaña-Sandoval, F.; Zertuche, L. Magaña; Magee, R. M.; Majorana, E.; Maksimovic, I.; Malvezzi, V.; Man, N.; Mandic, V.; Mangano, V.; Mansell, G. L.; Manske, M.; Mantovani, M.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markosyan, A. S.; Maros, E.; Martelli, F.; Martellini, L.; Martin, I. W.; Martynov, D. V.; Marx, J. N.; Mason, K.; Masserot, A.; Massinger, T. J.; Masso-Reid, M.; Mastrogiovanni, S.; Matichard, F.; Matone, L.; Mavalvala, N.; Mazumder, N.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McGuire, S. C.; McIntyre, G.; McIver, J.; McManus, D. J.; McRae, T.; McWilliams, S. T.; Meacher, D.; Meadors, G. D.; Meidam, J.; Melatos, A.; Mendell, G.; Mercer, R. A.; Merilh, E. L.; Merzougui, M.; Meshkov, S.; Messenger, C.; Messick, C.; Metzdorff, R.; Meyers, P. M.; Mezzani, F.; Miao, H.; Michel, C.; Middleton, H.; Mikhailov, E. E.; Milano, L.; Miller, A. L.; Miller, A.; Miller, B. B.; Miller, J.; Millhouse, M.; Minenkov, Y.; Ming, J.; Mirshekari, S.; Mishra, C.; Mitra, S.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Moggi, A.; Mohan, M.; Mohapatra, S. R. P.; Montani, M.; Moore, B. C.; Moore, C. J.; Moraru, D.; Moreno, G.; Morriss, S. R.; Mossavi, K.; Mours, B.; Mow-Lowry, C. M.; Mueller, G.; Muir, A. W.; Mukherjee, Arunava; Mukherjee, D.; Mukherjee, S.; Mukund, N.; Mullavey, A.; Munch, J.; Murphy, D. J.; Murray, P. G.; Mytidis, A.; Nardecchia, I.; Naticchioni, L.; Nayak, R. K.; Nedkova, K.; Nelemans, G.; Nelson, T. J. N.; Neri, M.; Neunzert, A.; Newton, G.; Nguyen, T. T.; Nielsen, A. B.; Nissanke, S.; Nitz, A.; Nocera, F.; Nolting, D.; Normandin, M. E. N.; Nuttall, L. K.; Oberling, J.; Ochsner, E.; O'Dell, J.; Oelker, E.; Ogin, G. H.; Oh, J. J.; Oh, S. H.; Ohme, F.; Oliver, M.; Oppermann, P.; Oram, Richard J.; O'Reilly, B.; O'Shaughnessy, R.; Ottaway, D. J.; Overmier, H.; Owen, B. J.; Pai, A.; Pai, S. A.; Palamos, J. R.; Palashov, O.; Palomba, C.; Pal-Singh, A.; Pan, H.; Pankow, C.; Pant, B. C.; Paoletti, F.; Paoli, A.; Papa, M. A.; Paris, H. R.; Parker, W.; Pascucci, D.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Patricelli, B.; Patrick, Z.; Pearlstone, B. L.; Pedraza, M.; Pedurand, R.; Pekowsky, L.; Pele, A.; Penn, S.; Perreca, A.; Perri, L. M.; Phelps, M.; Piccinni, O. J.; Pichot, M.; Piergiovanni, F.; Pierro, V.; Pillant, G.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Poe, M.; Poggiani, R.; Popolizio, P.; Post, A.; Powell, J.; Prasad, J.; Predoi, V.; Prestegard, T.; Price, L. R.; Prijatelj, M.; Principe, M.; Privitera, S.; Prodi, G. A.; Prokhorov, L.; Puncken, O.; Punturo, M.; Puppo, P.; Pürrer, M.; Qi, H.; Qin, J.; Qiu, S.; Quetschke, V.; Quintero, E. A.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Radkins, H.; Raffai, P.; Raja, S.; Rajan, C.; Rakhmanov, M.; Rapagnani, P.; Raymond, V.; Razzano, M.; Re, V.; Read, J.; Reed, C. M.; Regimbau, T.; Rei, L.; Reid, S.; Reitze, D. H.; Rew, H.; Reyes, S. D.; Ricci, F.; Riles, K.; Rizzo, M.; Robertson, N. A.; Robie, R.; Robinet, F.; Rocchi, A.; Rolland, L.; Rollins, J. G.; Roma, V. J.; Romano, J. D.; Romano, R.; Romanov, G.; Romie, J. H.; Rosińska, D.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Sachdev, S.; Sadecki, T.; Sadeghian, L.; Sakellariadou, M.; Salconi, L.; Saleem, M.; Salemi, F.; Samajdar, A.; Sammut, L.; Sanchez, E. J.; Sandberg, V.; Sandeen, B.; Sanders, J. R.; Sassolas, B.; Saulson, P. R.; Sauter, O. E. S.; Savage, R. L.; Sawadsky, A.; Schale, P.; Schilling, R.; Schmidt, J.; Schmidt, P.; Schnabel, R.; Schofield, R. M. S.; Schönbeck, A.; Schreiber, E.; Schuette, D.; Schutz, B. F.; Scott, J.; Scott, S. M.; Sellers, D.; Sengupta, A. S.; Sentenac, D.; Sequino, V.; Sergeev, A.; Setyawati, Y.; Shaddock, D. A.; Shaffer, T.; Shahriar, M. S.; Shaltev, M.; Shapiro, B.; Shawhan, P.; Sheperd, A.; Shoemaker, D. H.; Siellez, K.; Siemens, X.; Sieniawska, M.; Sigg, D.; Silva, A. D.; Singer, A.; Singer, L. P.; Singh, A.; Singh, R.; Singhal, A.; Sintes, A. M.; Slagmolen, B. J. J.; Smith, J. R.; Smith, N. D.; Smith, R. J. E.; Son, E. J.; Sorazu, B.; Sorrentino, F.; Souradeep, T.; Srivastava, A. K.; Staley, A.; Steinke, M.; Steinlechner, J.; Steinlechner, S.; Steinmeyer, D.; Stephens, B. C.; Stone, R.; Strain, K. A.; Straniero, N.; Stratta, G.; Strauss, N. A.; Strigin, S.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Sun, L.; Sunil, S.; Sutton, P. J.; Swinkels, B. L.; Szczepańczyk, M. J.; Tacca, M.; Talukder, D.; Tanner, D. B.; Tápai, M.; Tarabrin, S. P.; Taracchini, A.; Taylor, R.; Theeg, T.; Thirugnanasambandam, M. P.; Thomas, E. G.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thorne, K. S.; Thrane, E.; Tiwari, S.; Tiwari, V.; Tokmakov, K. V.; Toland, K.; Tomlinson, C.; Tonelli, M.; Tornasi, Z.; Torres, C. V.; Torrie, C. I.; Töyrä, D.; Travasso, F.; Traylor, G.; Trifirò, D.; Tringali, M. C.; Trozzo, L.; Tse, M.; Turconi, M.; Tuyenbayev, D.; Ugolini, D.; Unnikrishnan, C. S.; Urban, A. L.; Usman, S. A.; Vahlbruch, H.; Vajente, G.; Valdes, G.; van Bakel, N.; van Beuzekom, M.; van den Brand, J. F. J.; Van Den Broeck, C.; Vander-Hyde, D. C.; van der Schaaf, L.; van Heijningen, J. V.; van Veggel, A. A.; Vardaro, M.; Vass, S.; Vasúth, M.; Vaulin, R.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Venkateswara, K.; Verkindt, D.; Vetrano, F.; Viceré, A.; Vinciguerra, S.; Vine, D. J.; Vinet, J.-Y.; Vitale, S.; Vo, T.; Vocca, H.; Vorvick, C.; Voss, D. V.; Vousden, W. D.; Vyatchanin, S. P.; Wade, A. R.; Wade, L. E.; Wade, M.; Walker, M.; Wallace, L.; Walsh, S.; Wang, G.; Wang, H.; Wang, M.; Wang, X.; Wang, Y.; Ward, R. L.; Warner, J.; Was, M.; Weaver, B.; Wei, L.-W.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Wen, L.; Weßels, P.; Westphal, T.; Wette, K.; Whelan, J. T.; Whiting, B. F.; Williams, R. D.; Williamson, A. R.; Willis, J. L.; Willke, B.; Wimmer, M. H.; Winkler, W.; Wipf, C. C.; Wittel, H.; Woan, G.; Woehler, J.; Worden, J.; Wright, J. L.; Wu, D. S.; Wu, G.; Yablon, J.; Yam, W.; Yamamoto, H.; Yancey, C. C.; Yu, H.; Yvert, M.; ZadroŻny, A.; Zangrando, L.; Zanolin, M.; Zendri, J.-P.; Zevin, M.; Zhang, L.; Zhang, M.; Zhang, Y.; Zhao, C.; Zhou, M.; Zhou, Z.; Zhu, X. J.; Zucker, M. E.; Zuraw, S. E.; Zweizig, J.; Boyle, M.; Campanelli, M.; Chu, T.; Clark, M.; Fauchon-Jones, E.; Fong, H.; Healy, J.; Hemberger, D.; Hinder, I.; Husa, S.; Kalaghati, C.; Khan, S.; Kidder, L. E.; Kinsey, M.; Laguna, P.; London, L. T.; Lousto, C. O.; Lovelace, G.; Ossokine, S.; Pannarale, F.; Pfeiffer, H. P.; Scheel, M.; Shoemaker, D. M.; Szilagyi, B.; Teukolsky, S.; Vinuales, A. Vano; Zlochower, Y.; LIGO Scientific Collaboration; Virgo Collaboration

2016-09-01

We compare GW150914 directly to simulations of coalescing binary black holes in full general relativity, including several performed specifically to reproduce this event. Our calculations go beyond existing semianalytic models, because for all simulations—including sources with two independent, precessing spins—we perform comparisons which account for all the spin-weighted quadrupolar modes, and separately which account for all the quadrupolar and octopolar modes. Consistent with the posterior distributions reported by Abbott et al. [Phys. Rev. Lett. 116, 241102 (2016)] (at the 90% credible level), we find the data are compatible with a wide range of nonprecessing and precessing simulations. Follow-up simulations performed using previously estimated binary parameters most resemble the data, even when all quadrupolar and octopolar modes are included. Comparisons including only the quadrupolar modes constrain the total redshifted mass Mz∈[64 M⊙-82 M⊙] , mass ratio 1 /q =m2/m1∈[0.6 ,1 ], and effective aligned spin χeff∈[-0.3 ,0.2 ], where χeff=(S1/m1+S2/m2).L ^/M . Including both quadrupolar and octopolar modes, we find the mass ratio is even more tightly constrained. Even accounting for precession, simulations with extreme mass ratios and effective spins are highly inconsistent with the data, at any mass. Several nonprecessing and precessing simulations with similar mass ratio and χeff are consistent with the data. Though correlated, the components' spins (both in magnitude and directions) are not significantly constrained by the data: the data is consistent with simulations with component spin magnitudes a1 ,2 up to at least 0.8, with random orientations. Further detailed follow-up calculations are needed to determine if the data contain a weak imprint from transverse (precessing) spins. For nonprecessing binaries, interpolating between simulations, we reconstruct a posterior distribution consistent with previous results. The final black hole's redshifted mass is consistent with Mf ,z in the range 64.0 M⊙-73.5 M⊙ and the final black hole's dimensionless spin parameter is consistent with af=0.62 - 0.73 . As our approach invokes no intermediate approximations to general relativity and can strongly reject binaries whose radiation is inconsistent with the data, our analysis provides a valuable complement to Abbott et al. [Phys. Rev. Lett. 116, 241102 (2016)].

Single shot trajectory design for region-specific imaging using linear and nonlinear magnetic encoding fields.

PubMed

Layton, Kelvin J; Gallichan, Daniel; Testud, Frederik; Cocosco, Chris A; Welz, Anna M; Barmet, Christoph; Pruessmann, Klaas P; Hennig, Jürgen; Zaitsev, Maxim

2013-09-01

It has recently been demonstrated that nonlinear encoding fields result in a spatially varying resolution. This work develops an automated procedure to design single-shot trajectories that create a local resolution improvement in a region of interest. The technique is based on the design of optimized local k-space trajectories and can be applied to arbitrary hardware configurations that employ any number of linear and nonlinear encoding fields. The trajectories designed in this work are tested with the currently available hardware setup consisting of three standard linear gradients and two quadrupolar encoding fields generated from a custom-built gradient insert. A field camera is used to measure the actual encoding trajectories up to third-order terms, enabling accurate reconstructions of these demanding single-shot trajectories, although the eddy current and concomitant field terms of the gradient insert have not been completely characterized. The local resolution improvement is demonstrated in phantom and in vivo experiments. Copyright © 2012 Wiley Periodicals, Inc.

Classical Spin Nematic Transition in LiGa0.95In0.05Cr4O8

NASA Astrophysics Data System (ADS)

Wawrzyńczak, R.; Tanaka, Y.; Yoshida, M.; Okamoto, Y.; Manuel, P.; Casati, N.; Hiroi, Z.; Takigawa, M.; Nilsen, G. J.

2017-08-01

We present the results of a combined 7Li -NMR and diffraction study on LiGa0.95In0.05Cr4O8, a member of the LiGa1 -xInxCr4O8 "breathing" pyrochlore family. Via specific heat and NMR measurements, we find that the complex sequence of first-order transitions observed for LiGaCr4O8 is replaced by a single second-order transition at Tf=11 K . Neutron and x-ray diffraction rule out both structural symmetry lowering and magnetic long-range order as the origin of this transition. Instead, reverse Monte Carlo fitting of the magnetic diffuse scattering indicates that the low-temperature phase may be described as a collinear spin nematic state, characterized by a quadrupolar order parameter. This state also shows signs of short-range order between collinear spin arrangements on tetrahedra, revealed by mapping the reverse Monte Carlo spin configurations onto a three-state color model.

TetraMag: A compact magnetizing device based on eight rotating permanent magnets

NASA Astrophysics Data System (ADS)

Gilbert, M.; Mertins, H.-Ch.; Tesch, M.; Berges, O.; Feilbach, Herbert; Schneider, C. M.

2012-02-01

In this paper we describe a novel magnetizing device based on eight rotatable permanent magnets arranged in a quadrupolar configuration, which is termed the TetraMag. TetraMag creates stable and homogeneous magnetic fields at the sample position with a resolution of 0.02 mT tunable between -570 mT and +570 mT. The field direction is continuously rotatable between 0° and 360° within the sample plane, while the field strength is maintained. A simplified mathematical description of TetraMag is developed leading to magnetic field calculations which are in good agreement with the experimental results. This versatile device avoids electrical energy dissipation, cooling mechanisms, and hysteresis effects known from classical electromagnets. It is ultrahigh vacuum compatible and it offers a completely free optical path over 180° for magneto-optical experiments. It is suitable for scattering experiments with synchrotron radiation and neutrons and may be employed in a large class of magnetization experiments.

On improved confinement in mirror plasmas by a radial electric field

NASA Astrophysics Data System (ADS)

Ågren, O.; Moiseenko, V. E.

2017-11-01

A weak radial electric field can suppress radial excursions of a guiding center from its mean magnetic surface. The physical origin of this effect is the smearing action by a poloidal E × B rotation, which tend to cancel out the inward and outward radial drifts. A use of this phenomenon may provide larger margins for magnetic field shaping with radial confinement of particles maintained in the collision free idealization. Mirror fields, stabilized by a quadrupolar field component, are of particular interest for their MHD stability and the possibility to control the quasi neutral radial electric field by biased potential plates outside the confinement region. Flux surface footprints on the end tank wall have to be traced to avoid short-circuiting between biased plates. Assuming a robust biasing procedure, moderate voltage demands for the biased plates seems adequate to cure even the radial excursions of Yushmanov ions which could be locally trapped near the mirrors. Analytical expressions are obtained for a magnetic quadrupolar mirror configuration which possesses minimal radial magnetic drifts in the central confinement region. By adding a weak controlled radial quasi-neutral electric field, the majority of gyro centers are predicted to be forced to move even closer to their respective mean magnetic surface. The gyro center radial coordinate is in such a case an accurate approximation for a constant of motion. By using this constant of motion, the analysis is in a Vlasov description extended to finite β. A correspondence between that Vlasov system and a fluid description with a scalar pressure and an electric potential is verified. The minimum B criterion is considered and implications for flute mode stability in the considered magnetic field is analyzed. By carrying out a long-thin expansion to a higher order, the validity of the calculations are extended to shorter and more compact device designs.

ptchg: A FORTRAN program for point-charge calculations of electric field gradients (EFGs)

NASA Astrophysics Data System (ADS)

Spearing, Dane R.

1994-05-01

ptchg, a FORTRAN program, has been developed to calculate electric field gradients (EFG) around an atomic site in crystalline solids using the point-charge direct-lattice summation method. It uses output from the crystal structure generation program Atoms as its input. As an application of ptchg, a point-charge calculation of the EFG quadrupolar parameters around the oxygen site in SiO 2 cristobalite is demonstrated. Although point-charge calculations of electric field gradients generally are limited to ionic compounds, the computed quadrupolar parameters around the oxygen site in SiO 2 cristobalite, a highly covalent material, are in good agreement with the experimentally determined values from nuclear magnetic resonance (NMR) spectroscopy.

Ensemble of single quadrupolar nuclei in rotating solids: sidebands in NMR spectrum.

PubMed

Kundla, Enn

2006-07-01

A novel way is proposed to describe the evolution of nuclear magnetic polarization and the induced NMR spectrum. In this method, the effect of a high-intensity external static magnetic field and the effects of proper Hamiltonian left over interaction components, which commute with the first, are taken into account simultaneously and equivalently. The method suits any concrete NMR problem. This brings forth the really existing details in the registered spectra, evoked by Hamiltonian secular terms, which may be otherwise smoothed due to approximate treatment of the effects of the secular terms. Complete analytical expressions are obtained describing the NMR spectra including the rotational sideband sets of single quadrupolar nuclei in rotating solids.

Revisiting NMR composite pulses for broadband 2H excitation

PubMed Central

Shen, Ming; Roopchand, Rabia; Mananga, Eugene S.; Amoureux, Jean-Paul; Chen, Qun; Boutis, Gregory S.; Hu, Bingwen

2014-01-01

Quadrupolar echo NMR spectroscopy of static solids often requires RF excitation that covers spectral widths exceeding 100 kHz, which is difficult to obtain due to instrumental limitations. In this work we revisit four well-known composite pulses (COM-I, II, III and IV) for broadband excitation in deuterium quadrupolar echo spectroscopy. These composite pulses are combined with several phase cycling schemes that were previously shown to decrease finite pulse width distortions in deuterium solid-echo experiments performed with two single pulses. The simulations and experiments show that COM-II and IV composite pulses combined with an 8-step phase cycling aid in achieving broadband excitation with limited pulse width distortions. PMID:25583576

Ultrahigh-field NMR spectroscopy of quadrupolar transition metals: 55Mn NMR of several solid manganese carbonyls.

PubMed

Ooms, Kristopher J; Feindel, Kirk W; Terskikh, Victor V; Wasylishen, Roderick E

2006-10-16

55Mn NMR spectra acquired at 21.14 T (nu(L)(55Mn) = 223.1 MHz) are presented and demonstrate the advantages of using ultrahigh magnetic fields for characterizing the chemical shift tensors of several manganese carbonyls: eta5-CpMn(CO)3, Mn2(CO)10, and (CO)5MnMPh3 (M = Ge, Sn, Pb). For the compounds investigated, the anisotropies of the manganese chemical shift tensors are less than 250 ppm except for eta5-CpMn(CO)3, which has an anisotropy of 920 ppm. At 21.14 T, one can excite the entire m(I) = 1/2 <--> m(I) = -1/2 central transition of eta5-CpMn(CO)3, which has a breadth of approximately 700 kHz. The breadth arises from second-order quadrupolar broadening due to the 55Mn quadrupolar coupling constant of 64.3 MHz, as well as the anisotropic shielding. Subtle variations in the electric field gradient tensors at the manganese are observed for crystallographically unique sites in two of the solid pentacarbonyls, resulting in measurably different C(Q) values. MQMAS experiments are able to distinguish four magnetically unique Mn sites in (CO)(5)MnPbPh3, each with slightly different values of delta(iso), C(Q), and eta(Q).

Solid-state NMR calculations for metal oxides and gallates: Shielding and quadrupolar parameters for perovskites and related phases

NASA Astrophysics Data System (ADS)

Middlemiss, Derek S.; Blanc, Frédéric; Pickard, Chris J.; Grey, Clare P.

2010-05-01

The NMR parameters obtained from solid-state DFT calculations within the GIPAW approach for 17O- and 69/71Ga-sites in a range of predominantly oxide-based (group II monoxides, SrTiO 3, BaZrO 3, BaSnO 3, BaTiO 3, LaAlO 3, LaGaO 3, SrZrO 3, MgSiO 3 and Ba 2In 2O 5), and gallate (α- and β-Ga 2O 3, LiGaO 2, NaGaO 2, GaPO 4 and LaGaO 3) materials are compared with experimental values, with a view to the future application of a similar approach to doped phases of interest as candidate intermediate temperature solid oxide fuel cell (ITSOFC) electrolytes. Isotropic and anisotropic chemical shift parameters, quadrupolar coupling constants, and associated asymmetries are presented and analyzed. The unusual GaO 5 site occurring in LaGaGe 2O 7 is also fully characterised. In general, it is found that the theoretical results closely track the experimental trends, though some deviations are identified and discussed, particularly in regard to quadrupolar ηQ-values. The high quality of the computed results suggests that this approach can be extended to study more complex and disordered phases.

Decoherence and fluctuation dynamics of the quantum dot nuclear spin bath probed by nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Chekhovich, Evgeny A.

2017-06-01

Dynamics of nuclear spin decoherence and nuclear spin flip-flops in self-assembled InGaAs/GaAs quantum dots are studied experimentally using optically detected nuclear magnetic resonance (NMR). Nuclear spin-echo decay times are found to be in the range 1-4 ms. This is a factor of ~3 longer than in strain-free GaAs/AlGaAs structures and is shown to result from strain-induced quadrupolar effects that suppress nuclear spin flip-flops. The correlation times of the flip-flops are examined using a novel frequency-comb NMR technique and are found to exceed 1 s, a factor of ~1000 longer than in strain-free structures. These findings complement recent studies of electron spin coherence and reveal the paradoxical dual role of the quadrupolar effects in self-assembled quantum dots: large increase of the nuclear spin bath coherence and at the same time significant reduction of the electron spin-qubit coherence. Approaches to increasing electron spin coherence are discussed. In particular the nanohole filled GaAs/AlGaAs quantum dots are an attractive option: while their optical quality matches the self-assembled dots the quadrupolar effects measured in NMR spectra are a factor of 1000 smaller.

Double cross polarization for the indirect detection of nitrogen-14 nuclei in magic angle spinning NMR spectroscopy

NASA Astrophysics Data System (ADS)

Carnevale, Diego; Ji, Xiao; Bodenhausen, Geoffrey

2017-11-01

Nitrogen-14 NMR spectra at fast magic-angle spinning rates can be acquired indirectly by means of two-dimensional techniques based on double cross polarization transfer 1H → 14N →1H. Experimental evidence is given for polycrystalline samples of glycine, l-histidine, and the dipeptide Ala-Gly. Either one-bond or long-range correlations can be favored by choosing the length of the cross polarization contact pulses. Longer contact pulses allow the detection of unprotonated nitrogen sites. In contrast to earlier methods that exploited second-order quadrupolar/dipolar cross-terms, cross polarization operates in the manner of the method of Hartmann and Hahn, even for 14N quadrupolar couplings up to 4 MHz. Simulations explain why amorphous samples tend to give rise to featureless spectra because the 14N quadrupolar interactions may vary dramatically with the lattice environment. The experiments are straightforward to set up and are shown to be effective for different nitrogen environments and robust with respect to the rf-field strengths and to the 14N carrier frequency during cross polarization. The efficiency of indirect detection of 14N nuclei by double cross polarization is shown to be similar to that of isotopically enriched 13C nuclei.

A 23Na Multiple-Quantum-Filtered NMR Study of the Effect of the Cytoskeleton Conformation on the Anisotropic Motion of Sodium Ions in Red Blood Cells

NASA Astrophysics Data System (ADS)

Knubovets, Tatyana; Shinar, Hadassah; Eliav, Uzi; Navon, Gil

1996-01-01

Recently, it has been shown that23Na double-quantum-filtered NMR spectroscopy can be used to detect anisotropic motion of bound sodium ions in biological systems. The technique is based on the formation of the second-rank tensor when the quadrupolar interaction is not averaged to zero. Using this method, anisotropic motion of bound sodium in human and dog red blood cells was detected, and the effect was shown to depend on the integrity of the membrane cytoskeleton. In the present study, multiple-quantum-filtered techniques were applied in combination with a quadrupolar echo to measure the transverse-relaxation times,T2fandT2s. Line fitting was performed to obtain the values of the residual quadrupolar interaction, which was measured for sodium in a variety of mammalian erythrocytes of different size, shape, rheological properties, and sodium concentrations. Human unsealed white ghosts were used to study sodium bound at the anisotropic sites on the inner side of the RBC membrane. Modulations of the conformation of the cytoskeleton by the variation of either the ionic strength or pH of the suspending medium caused drastic changes in both the residual quadrupolar interaction andT2fdue to changes in the fraction of bound sodium ions as well as changes in the structure of the binding sites. By combining the two spectroscopic parameters, structural change can be followed. The changes in the structure of the sodium anisotropic binding sites deduced by this method were found to correlate with known conformational changes of the membrane cytoskeleton. Variations of the medium pH affected both the fraction of bound sodium ions and the structure of the anisotropic binding sites. Sodium and potassium were shown to bind to the anisotropic binding sites with the same affinity.

Structure and orientational ordering in a fluid of elongated quadrupolar molecules

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra

2013-01-01

A second-order density-functional theory is used to study the effect of quadrupolar interactions on the isotropic-nematic transition in a system of fluids of elongated molecules interacting via the Gay-Berne potential. The direct pair-correlation functions of the coexisting isotropic fluid that enter in the theory as input information are obtained by solving the Ornstein-Zernike equation using the Percus-Yevick integral equation theory in the (reduced) temperature range of 1.6≤T∗≤3.0 for different densities, temperatures and quadrupole moments. Using the harmonic coefficients of the direct pair-correlation functions, isotropic-nematic phase coexistence and thermodynamic parameters have been calculated. The theoretical results have been compared with the available computer simulation results.

Pressure effect on the long-range order in CeB6

NASA Astrophysics Data System (ADS)

Sera, M.; Ikeda, S.; Iwakubo, H.; Uwatoko, Y.; Hane, S.; Kosaka, M.; Kunii, S.

2006-08-01

The pressure effect of CeB6 was investigated. The pressure dependence of the Néel temperature, TN and the critical field from the antiferro-magnetic phase III to antiferro-quadrupolar phase II, HcIII-II of CeB6 exhibits the unusual pressure dependence that the suppression rate of HcIII-II is much larger than that of TN. In order to explain this unusual result, we have performed the mean field calculation for the 4-sublattice model assuming that the pressure dependence of TN, the antiferro-octupolar and quadrupolar temperatures, Toct and TQ as follows; dTN/dP<0, dToct/dP>dTQ/dP>0 and could explain the unusual pressure dependence of TN and HcIII-II.

Numerical Study of Sound Emission by 2D Regular and Chaotic Vortex Configurations

NASA Astrophysics Data System (ADS)

Knio, Omar M.; Collorec, Luc; Juvé, Daniel

1995-02-01

The far-field noise generated by a system of three Gaussian vortices lying over a flat boundary is numerically investigated using a two-dimensional vortex element method. The method is based on the discretization of the vorticity field into a finite number of smoothed vortex elements of spherical overlapping cores. The elements are convected in a Lagrangian reference along particle trajectories using the local velocity vector, given in terms of a desingularized Biot-Savart law. The initial structure of the vortex system is triangular; a one-dimensional family of initial configurations is constructed by keeping one side of the triangle fixed and vertical, and varying the abscissa of the centroid of the remaining vortex. The inviscid dynamics of this vortex configuration are first investigated using non-deformable vortices. Depending on the aspect ratio of the initial system, regular or chaotic motion occurs. Due to wall-related symmetries, the far-field sound always exhibits a time-independent quadrupolar directivity with maxima parallel end perpendicular to the wall. When regular motion prevails, the noise spectrum is dominated by discrete frequencies which correspond to the fundamental system frequency and its superharmonics. For chaotic motion, a broadband spectrum is obtained; computed soundlevels are substantially higher than in non-chaotic systems. A more sophisticated analysis is then performed which accounts for vortex core dynamics. Results show that the vortex cores are susceptible to inviscid instability which leads to violent vorticity reorganization within the core. This phenomenon has little effect on the large-scale features of the motion of the system or on low frequency sound emission. However, it leads to the generation of a high-frequency noise band in the acoustic pressure spectrum. The latter is observed in both regular and chaotic system simulations.

Investigation on the morphological and optical evolution of bimetallic Pd-Ag nanoparticles on sapphire (0001) by the systematic control of composition, annealing temperature and time.

PubMed

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2017-01-01

Multi-metallic alloy nanoparticles (NPs) can offer additional opportunities for modifying the electronic, optical and catalytic properties by the control of composition, configuration and size of individual nanostructures that are consisted of more than single element. In this paper, the fabrication of bimetallic Pd-Ag NPs is systematically demonstrated via the solid state dewetting of bilayer thin films on c-plane sapphire by governing the temperature, time as well as composition. The composition of Pd-Ag bilayer remarkably affects the morphology of alloy nanostructures, in which the higher Ag composition, i.e. Pd0.25Ag0.75, leads to the enhanced dewetting of bilayers whereas the higher Pd composition (Pd0.75Ag0.25) hinders the dewetting. Depending on the annealing temperature, Pd-Ag alloy nanostructures evolve with a series of configurations, i.e. nucleation of voids, porous network, elongated nanoclusters and round alloy NPs. In addition, with the annealing time set, the gradual configuration transformation from the elongated to round alloy NPs as well as size reduction is demonstrated due to the enhanced diffusion and sublimation of Ag atoms. The evolution of various morphology of Pd-Ag nanostructures is described based on the surface diffusion and inter-diffusion of Pd and Ag adatoms along with the Ag sublimation, Rayleigh instability and energy minimization mechanism. The reflectance spectra of bimetallic Pd-Ag nanostructures exhibit various quadrupolar and dipolar resonance peaks, peak shifts and absorption dips owing to the surface plasmon resonance of nanostructures depending on the surface morphology. The intensity of reflectance spectra is gradually decreased along with the surface coverage and NP size evolution. The absorption dips are red-shifted towards the longer wavelength for the larger alloy NPs and vice-versa.

Magnetic Structure and Quadrupolar Order Parameter Driven by Geometrical Frustration Effect in NdB 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta

2017-04-15

Neutron diffraction experiments have been carried out to characterize the magnetic structures and order parameters in an intermediate phase of NdB 4 showing the successive phase transitions at T 0 = 17.2 K, T N1 = 7.0 K, and T N2 = 4.8 K. We have revealed the antiferromagnetic ordering with the propagation vectors q0=(0,0,0), q0 and qs1=(δ,δ,0.4) (δ ~ 0.14), and q 0 and q s2=(0.2,0,0.4) in phase II (T N1 < T < T 0), phase III (T N2 < T < T N1), and phase IV (T < T N2), respectively. The observed patterns in phase IImore » are successfully explained by postulating a coplanar structure with static magnetic moments in the tetragonal ab-plane. We have found that the magnetic structure in phase II can be uniquely determined to be a linear combination of antiferromagnetic “all-in/all-out”-type (Γ 4) and “vortex”-type (Γ 2) structures, consisting of a Γ 4 main component (77%) with a small amplitude of Γ 2 (23%). Finally, we propose that the quadrupolar interaction holds the key to stabilizing the noncollinear magnetic structure and quadrupolar order. Here, the frustration in the Shastry–Sutherland lattice would play an essential role in suppressing the dominance of the magnetic interaction.« less

Magnetic Structure and Quadrupolar Order Parameter Driven by Geometrical Frustration Effect in NdB4

NASA Astrophysics Data System (ADS)

Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta; Suzuki, Kazuya; Fukazawa, Hiroshi; Chi, Songxue; Fernandez-Baca, Jaime A.

2017-04-01

Neutron diffraction experiments have been carried out to characterize the magnetic structures and order parameters in an intermediate phase of NdB4 showing the successive phase transitions at T0 = 17.2 K, TN1 = 7.0 K, and TN2 = 4.8 K. We have revealed the antiferromagnetic ordering with the propagation vectors q0 = (0,0,0), q0 and qs1 = (δ ,δ ,0.4) (δ ˜ 0.14), and q0 and qs2 = (0.2,0,0.4) in phase II (TN1 < T < T0), phase III (TN2 < T < TN1), and phase IV (T < TN2), respectively. The observed patterns in phase II are successfully explained by postulating a coplanar structure with static magnetic moments in the tetragonal ab-plane. We have found that the magnetic structure in phase II can be uniquely determined to be a linear combination of antiferromagnetic "all-in/all-out"-type (Γ4) and "vortex"-type (Γ2) structures, consisting of a Γ4 main component (77%) with a small amplitude of Γ2 (23%). We propose that the quadrupolar interaction holds the key to stabilizing the noncollinear magnetic structure and quadrupolar order. Here, the frustration in the Shastry-Sutherland lattice would play an essential role in suppressing the dominance of the magnetic interaction.

Solid-state NMR calculations for metal oxides and gallates: shielding and quadrupolar parameters for perovskites and related phases.

PubMed

Middlemiss, Derek S; Blanc, Frédéric; Pickard, Chris J; Grey, Clare P

2010-05-01

The NMR parameters obtained from solid-state DFT calculations within the GIPAW approach for (17)O- and (69/71)Ga-sites in a range of predominantly oxide-based (group II monoxides, SrTiO(3), BaZrO(3), BaSnO(3), BaTiO(3), LaAlO(3), LaGaO(3), SrZrO(3), MgSiO(3) and Ba(2)In(2)O(5)), and gallate (alpha- and beta-Ga(2)O(3), LiGaO(2), NaGaO(2), GaPO(4) and LaGaO(3)) materials are compared with experimental values, with a view to the future application of a similar approach to doped phases of interest as candidate intermediate temperature solid oxide fuel cell (ITSOFC) electrolytes. Isotropic and anisotropic chemical shift parameters, quadrupolar coupling constants, and associated asymmetries are presented and analyzed. The unusual GaO(5) site occurring in LaGaGe(2)O(7) is also fully characterised. In general, it is found that the theoretical results closely track the experimental trends, though some deviations are identified and discussed, particularly in regard to quadrupolar eta(Q)-values. The high quality of the computed results suggests that this approach can be extended to study more complex and disordered phases. Copyright 2010 Elsevier Inc. All rights reserved.

Efficient amplitude-modulated pulses for triple- to single-quantum coherence conversion in MQMAS NMR.

PubMed

Colaux, Henri; Dawson, Daniel M; Ashbrook, Sharon E

2014-08-07

The conversion between multiple- and single-quantum coherences is integral to many nuclear magnetic resonance (NMR) experiments of quadrupolar nuclei. This conversion is relatively inefficient when effected by a single pulse, and many composite pulse schemes have been developed to improve this efficiency. To provide the maximum improvement, such schemes typically require time-consuming experimental optimization. Here, we demonstrate an approach for generating amplitude-modulated pulses to enhance the efficiency of the triple- to single-quantum conversion. The optimization is performed using the SIMPSON and MATLAB packages and results in efficient pulses that can be used without experimental reoptimisation. Most significant signal enhancements are obtained when good estimates of the inherent radio-frequency nutation rate and the magnitude of the quadrupolar coupling are used as input to the optimization, but the pulses appear robust to reasonable variations in either parameter, producing significant enhancements compared to a single-pulse conversion, and also comparable or improved efficiency over other commonly used approaches. In all cases, the ease of implementation of our method is advantageous, particularly for cases with low sensitivity, where the improvement is most needed (e.g., low gyromagnetic ratio or high quadrupolar coupling). Our approach offers the potential to routinely improve the sensitivity of high-resolution NMR spectra of nuclei and systems that would, perhaps, otherwise be deemed "too challenging".

Efficient Amplitude-Modulated Pulses for Triple- to Single-Quantum Coherence Conversion in MQMAS NMR

PubMed Central

2014-01-01

The conversion between multiple- and single-quantum coherences is integral to many nuclear magnetic resonance (NMR) experiments of quadrupolar nuclei. This conversion is relatively inefficient when effected by a single pulse, and many composite pulse schemes have been developed to improve this efficiency. To provide the maximum improvement, such schemes typically require time-consuming experimental optimization. Here, we demonstrate an approach for generating amplitude-modulated pulses to enhance the efficiency of the triple- to single-quantum conversion. The optimization is performed using the SIMPSON and MATLAB packages and results in efficient pulses that can be used without experimental reoptimisation. Most significant signal enhancements are obtained when good estimates of the inherent radio-frequency nutation rate and the magnitude of the quadrupolar coupling are used as input to the optimization, but the pulses appear robust to reasonable variations in either parameter, producing significant enhancements compared to a single-pulse conversion, and also comparable or improved efficiency over other commonly used approaches. In all cases, the ease of implementation of our method is advantageous, particularly for cases with low sensitivity, where the improvement is most needed (e.g., low gyromagnetic ratio or high quadrupolar coupling). Our approach offers the potential to routinely improve the sensitivity of high-resolution NMR spectra of nuclei and systems that would, perhaps, otherwise be deemed “too challenging”. PMID:25047226

The Effect of Combined Magnetic Geometries on Thermally Driven Winds. I. Interaction of Dipolar and Quadrupolar Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finley, Adam J.; Matt, Sean P., E-mail: af472@exeter.ac.uk

Cool stars with outer convective envelopes are observed to have magnetic fields with a variety of geometries, which on large scales are dominated by a combination of the lowest-order fields such as the dipole, quadrupole, and octupole modes. Magnetized stellar wind outflows are primarily responsible for the loss of angular momentum from these objects during the main sequence. Previous works have shown the reduced effectiveness of the stellar wind braking mechanism with increasingly complex but singular magnetic field geometries. In this paper, we quantify the impact of mixed dipolar and quadrupolar fields on the spin-down torque using 50 MHD simulationsmore » with mixed fields, along with 10 each of the pure geometries. The simulated winds include a wide range of magnetic field strength and reside in the slow-rotator regime. We find that the stellar wind braking torque from our combined geometry cases is well described by a broken power-law behavior, where the torque scaling with field strength can be predicted by the dipole component alone or the quadrupolar scaling utilizing the total field strength. The simulation results can be scaled and apply to all main-sequence cool stars. For solar parameters, the lowest-order component of the field (dipole in this paper) is the most significant in determining the angular momentum loss.« less

Satellite transitions acquired in real time by magic angle spinning (STARTMAS): ``Ultrafast'' high-resolution MAS NMR spectroscopy of spin I =3/2 nuclei

NASA Astrophysics Data System (ADS)

Thrippleton, Michael J.; Ball, Thomas J.; Wimperis, Stephen

2008-01-01

The satellite transitions acquired in real time by magic angle spinning (STARTMAS) NMR experiment combines a train of pulses with sample rotation at the magic angle to refocus the first- and second-order quadrupolar broadening of spin I =3/2 nuclei in a series of echoes, while allowing the isotropic chemical and quadrupolar shifts to evolve. The result is real-time isotropic NMR spectra at high spinning rates using conventional MAS equipment. In this paper we describe in detail how STARTMAS data can be acquired and processed with ease on commercial equipment. We also discuss the advantages and limitations of the approach and illustrate the discussion with numerical simulations and experimental data from four different powdered solids.

From bipolar to quadrupolar - The collimation processes of the Cepheus A outflow

NASA Technical Reports Server (NTRS)

Torrelles, Jose M.; Verdes-Montenegro, Lourdes; Ho, Paul T. P.; Rodriguez, Luis F.; Canto, Jorge

1993-01-01

Results of new K-band observations of the (1, 1) and (2, 2) ammonia lines toward Cepheus A are reported. The lines are mapped with approximately 2 arcsec of angular resolution and 0.3 km/s of velocity resolution. A sensitivity of 10 mJy has been achieved. The observations reveal details of the spatial and kinematics structure of the ambient high-density gas. It is suggested that the interstellar high-density gas is diverting and redirecting the outflow in the sense that the quadrupolar structure of the molecular outflow is produced by the interaction with the ammonia condensationss, with Cep A-1 and Cep A-3 splitting in two halves, respectively the blue- and redshifted lobes of an east-west bipolar molecular outflow.

Design, synthesis, and characterization of photoinitiators for two-photon polymerization

NASA Astrophysics Data System (ADS)

Whitby, Reece; MacMillan, Ryan; Janssens, Stefaan; Raymond, Sebastiampillai; Clarke, Dave; Kay, Andrew; Jin, Jianyong; Simpson, Cather M.

2016-09-01

A series of dipolar and quadrupolar two-photon absorption (2PA) photoinitiators (PIs) based around the well-known triphenylamine (TPA) core and tricyanofuran (TCF) acceptors have been prepared for use in two-photon polymerisation (TPP). The synthesised dipolar species are designated as 5 and 7, and the remaining quadrupolar species are 6, 8, 9 and 10. Large two-photon absorption cross-sections (δ2PA) ranging between 333 - 507 GM were measured at 780 nm using the z-scan technique. Fluorescence quantum yields (ΦF) were below 3% across the series when compared to Rhodamine 6G as a reference standard. Finally, TPP tests were conducted on PIs 7 and 8 to assess their ability to initiate the polymerisation of acrylate monomers using an 800 nm femtosecond Ti:Sapphire laser system.

Communication: Heterogeneous water dynamics on a clathrate hydrate lattice detected by multidimensional oxygen nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Adjei-Acheamfour, Mischa; Storek, Michael; Böhmer, Roland

2017-05-01

Previous deuteron nuclear magnetic resonance studies revealed conflicting evidence regarding the possible motional heterogeneity of the water dynamics on the hydrate lattice of an ice-like crystal. Using oxygen-17 nuclei as a sensitive quadrupolar probe, the reorientational two-time correlation function displays a clear nonexponentiality. To check whether this dispersive behavior is a consequence of dynamic heterogeneity or rather of an intrinsic nonexponentiality, a multidimensional, four-time magnetic resonance experiment was devised that is generally applicable to strongly quadrupolarly perturbed half-integer nuclei such as oxygen-17. Measurements of an appropriate four-time function demonstrate that it is possible to select a subensemble of slow water molecules. Its mean time scale is compared to theoretical predictions and evidence for significant motional heterogeneity is found.

Bis-pyridinium quadrupolar derivatives. High Stokes shift selective probes for bio-imaging

NASA Astrophysics Data System (ADS)

Salice, Patrizio; Versari, Silvia; Bradamante, Silvia; Meinardi, Francesco; Macchi, Giorgio; Pagani, Giorgio A.; Beverina, Luca

2013-11-01

We describe the design, synthesis and characterization of five high Stokes shift quadrupolar heteroaryl compounds suitable as fluorescent probes in bio-imaging. In particular, we characterize the photophysical properties and the intracellular localization in Human Umbilical Vein Endothelial Cells (HUVEC) and Human Mesenchymal Stem Cells (HMSCs) for each dye. We show that, amongst all of the investigated derivatives, the 2,5-bis[1-(4-N-methylpyridinium)ethen-2-yl)]- N-methylpyrrole salt is the best candidates as selective mitochondrial tracker. Finally, we recorded the full emission spectrum of the most performing - exclusively mitochondrial selective - fluorescent probe directly from HUVEC stained cells. The emission spectrum collected from the stained mitochondria shows a remarkably more pronounced vibronic structure with respect to the emission of the free fluorophore in solution.

Testing General Relativity with Accretion-Flow Imaging of Sgr A^{*}.

PubMed

Johannsen, Tim; Wang, Carlos; Broderick, Avery E; Doeleman, Sheperd S; Fish, Vincent L; Loeb, Abraham; Psaltis, Dimitrios

2016-08-26

The Event Horizon Telescope is a global, very long baseline interferometer capable of probing potential deviations from the Kerr metric, which is believed to provide the unique description of astrophysical black holes. Here, we report an updated constraint on the quadrupolar deviation of Sagittarius A^{*} within the context of a radiatively inefficient accretion flow model in a quasi-Kerr background. We also simulate near-future constraints obtainable by the forthcoming eight-station array and show that in this model already a one-day observation can measure the spin magnitude to within 0.005, the inclination to within 0.09°, the position angle to within 0.04°, and the quadrupolar deviation to within 0.005 at 3σ confidence. Thus, we are entering an era of high-precision strong gravity measurements.

Reversible switching of liquid crystalline order permits synthesis of homogeneous populations of dipolar patchy microparticles

DOE PAGES

Wang, Xiaoguang; Miller, Daniel S.; de Pablo, Juan J.; ...

2014-08-15

The spontaneous positioning of colloids on the surfaces of micrometer-sized liquid crystal (LC) droplets and their subsequent polymerization offers the basis of a general and facile method for the synthesis of patchy microparticles. The existence of multiple local energetic minima, however, can generate kinetic traps for colloids on the surfaces of the LC droplets and result in heterogeneous populations of patchy microparticles. To address this issue, in this paper it is demonstrated that adsorbate-driven switching of the internal configurations of LC droplets can be used to sweep colloids to a single location on the LC droplet surfaces, thus resulting inmore » the synthesis of homogeneous populations of patchy microparticles. The surface-driven switching of the LC can be triggered by addition of surfactant or salts, and permits the synthesis of dipolar microparticles as well as “Janus-like” microparticles. Finally, by using magnetic colloids, the utility of the approach is illustrated by synthesizing magnetically responsive patchy microdroplets of LC with either dipolar or quadrupolar symmetry that exhibit distinct optical responses upon application of an external magnetic field.« less

A prominence eruption driven by flux feeding from chromospheric fibrils

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Quanhao; Liu, Rui; Wang, Yuming

2014-07-10

We present multi-wavelength observations of a prominence eruption originating from a quadrupolar field configuration, in which the prominence was embedded in a side arcade. Within the two-day period prior to its eruption on 2012 October 22, the prominence was perturbed three times by chromospheric fibrils underneath, which rose upward, became brightened, and merged into the prominence, resulting in horizontal flows along the prominence axis, suggesting that the fluxes carried by the fibrils were incorporated into the magnetic field of the prominence. These perturbations caused the prominence to oscillate and to rise faster than before. The absence of intense heating withinmore » the first two hours after the onset of the prominence eruption, which followed an exponential increase in height, indicates that ideal instability played a crucial role. The eruption involved interactions with the other side arcade, leading up to a twin coronal mass ejection, which was accompanied by transient surface brightenings in the central arcade, followed by transient dimmings and brightenings in the two side arcades. We suggest that flux feeding from chromospheric fibrils might be an important mechanism to trigger coronal eruptions.« less

Non-linear hydrodynamical evolution of rotating relativistic stars: numerical methods and code tests

NASA Astrophysics Data System (ADS)

Font, José A.; Stergioulas, Nikolaos; Kokkotas, Kostas D.

2000-04-01

We present numerical hydrodynamical evolutions of rapidly rotating relativistic stars, using an axisymmetric, non-linear relativistic hydrodynamics code. We use four different high-resolution shock-capturing (HRSC) finite-difference schemes (based on approximate Riemann solvers) and compare their accuracy in preserving uniformly rotating stationary initial configurations in long-term evolutions. Among these four schemes, we find that the third-order piecewise parabolic method scheme is superior in maintaining the initial rotation law in long-term evolutions, especially near the surface of the star. It is further shown that HRSC schemes are suitable for the evolution of perturbed neutron stars and for the accurate identification (via Fourier transforms) of normal modes of oscillation. This is demonstrated for radial and quadrupolar pulsations in the non-rotating limit, where we find good agreement with frequencies obtained with a linear perturbation code. The code can be used for studying small-amplitude or non-linear pulsations of differentially rotating neutron stars, while our present results serve as testbed computations for three-dimensional general-relativistic evolution codes.

Polarity-sensitive transient patterned state in a twisted nematic liquid crystal driven by very low frequency fields.

PubMed

Krishnamurthy, K S; Kumar, Pramoda; Kumar, M Vijay

2013-02-01

We report, for a rodlike nematic liquid crystal with small positive dielectric and conductivity anisotropies, and in the 90°-twisted configuration, low frequency (<2 Hz) square wave electric field generated Carr-Helfrich director modulation appearing transiently over a few seconds at each polarity reversal and vanishing almost completely under steady field conditions. Significantly, the instability is polarity sensitive, with the maximum distortion localized in the vicinity of the negative electrode, rather than in the midplane of the layer. This is revealed by the wave vector alternating in the two halves of the driving cycle between the alignment directions at the two substrates. Besides the Carr-Helfrich mechanism, quadrupolar flexoelectric polarization arising under electric field gradient is strongly indicated as being involved in the development of the transient periodic order. Similar transient instability is also observed in other nematic compounds with varying combinations of dielectric and conductivity anisotropies, showing its general nature. The study also deals with various characteristics of the electro-optic effect that emerge from the temporal variation of optical response for different driving voltages, frequencies, and temperatures.

Characterisation of different polymorphs of tris(8-hydroxyquinolinato)aluminium(III) using solid-state NMR and DFT calculations

PubMed Central

Goswami, Mithun; Nayak, Pabitra K; Periasamy, N; Madhu, PK

2009-01-01

Background Organic light emitting devices (OLED) are becoming important and characterisation of them, in terms of structure, charge distribution, and intermolecular interactions, is important. Tris(8-hydroxyquinolinato)-aluminium(III), known as Alq3, an organomettalic complex has become a reference material of great importance in OLED. It is important to elucidate the structural details of Alq3 in its various isomeric and solvated forms. Solid-state nuclear magnetic resonance (NMR) is a useful tool for this which can also complement the information obtained with X-ray diffraction studies. Results We report here 27Al one-dimensional (1D) and two-dimensional (2D) multiple-quantum magic-angle spinning (MQMAS) NMR studies of the meridional (α-phase) and the facial (δ-phase) isomeric forms of Alq3. Quadrupolar parameters are estimated from the 1D spectra under MAS and anisotropic slices of the 2D spectra and also calculated using DFT (density functional theory) quantum-chemical calculations. We have also studied solvated phase of Alq3 containing ethanol in its lattice. We show that both the XRD patterns and the quadrupolar parameters of the solvated phase are different from both the α-phase and the δ-phase, although the fluorescence emission shows no substantial difference between the α-phase and the solvated phase. Moreover, we have shown that after the removal of ethanol from the matrix the solvated Alq3 has similar XRD patterns and quadrupolar parameters to that of the α-phase. Conclusion The 2D MQMAS experiments have shown that all the different modifications of Alq3 have 27Al in single unique crystallographic site. The quadrupolar parameters predicted using the DFT calculation under the isodensity polarisable continuum model resemble closely the experimentally obtained values. The solvated phase of Alq3 containing ethanol has structural difference from the α-phase of Alq3 (containing meridional isomer) from the solid-state NMR studies. Solid-state NMR can hence be used as an effective complementary tool to XRD for characterisation and structural elucidation. PMID:19900275

A Mo-95 and C-13 Solid-state NMR and Relativistic DFT Investigation of Mesitylenetricarbonylmolybdenum(0) -a Typical Transition Metal Piano-stool Complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bryce, David L.; Wasylishen, Roderick E.

2002-06-21

The chemical shift (CS) and electric field gradient (EFG) tensors in the piano-stool compound mesitylenetricarbonylmolybdenum(0), 1, have been investigated via {sup 95}Mo and {sup 13}C solid-state magic-angle spinning (MAS) NMR as well as relativistic zeroth-order regular approximation density functional theory (ZORA-DFT) calculations. Molybdenum-95 (I = 5/2) MAS NMR spectra acquired at 18.8 T are dominated by the anisotropic chemical shift interaction ({Omega} = 775 {+-} 30 ppm) rather than the 2nd-order quadrupolar interaction (C{sub Q} = -0.96 {+-} 0.15 MHz), an unusual situation for a quadrupolar nucleus. ZORA-DFT calculations of the {sup 95}Mo EFG and CS tensors are in agreementmore » with the experimental data. Mixing of appropriate occupied and virtual d-orbital dominated MOs in the region of the HOMO-LUMO gap are shown to be responsible for the large chemical shift anisotropy. The small, but non-negligible, {sup 95}Mo quadrupolar interaction is discussed in terms of the geometry about Mo. Carbon-13 CPMAS spectra acquired at 4.7 T demonstrate the crystallographic and magnetic nonequivalence of the twelve {sup 13}C nuclei in 1, despite the chemical equivalence of some of these nuclei in isotropic solutions. The principal components of the carbon CS tensors are determined via a Herzfeld-Berger analysis, and indicate that motion of the mesitylene ring is slow compared to a rate which would influence the carbon CS tensors (i.e. tens of {micro}s). ZORA-DFT calculations reproduce the experimental carbon CS tensors accurately. Oxygen-17 EFG and CS tensors for 1 are also calculated and discussed in terms of existing experimental data for related molybdenum carbonyl compounds. This work provides an example of the information available from combined multi-field solid-state multinuclear magnetic resonance and computational investigations of transition metal compounds, in particular the direct study of quadrupolar transition metal nuclei with relatively small magnetic moments.« less

Characterisation of different polymorphs of tris(8-hydroxyquinolinato)aluminium(III) using solid-state NMR and DFT calculations.

PubMed

Goswami, Mithun; Nayak, Pabitra K; Periasamy, N; Madhu, P K

2009-11-09

Organic light emitting devices (OLED) are becoming important and characterisation of them, in terms of structure, charge distribution, and intermolecular interactions, is important. Tris(8-hydroxyquinolinato)-aluminium(III), known as Alq3, an organomettalic complex has become a reference material of great importance in OLED. It is important to elucidate the structural details of Alq3 in its various isomeric and solvated forms. Solid-state nuclear magnetic resonance (NMR) is a useful tool for this which can also complement the information obtained with X-ray diffraction studies. We report here 27Al one-dimensional (1D) and two-dimensional (2D) multiple-quantum magic-angle spinning (MQMAS) NMR studies of the meridional (alpha-phase) and the facial (delta-phase) isomeric forms of Alq3. Quadrupolar parameters are estimated from the 1D spectra under MAS and anisotropic slices of the 2D spectra and also calculated using DFT (density functional theory) quantum-chemical calculations. We have also studied solvated phase of Alq3 containing ethanol in its lattice. We show that both the XRD patterns and the quadrupolar parameters of the solvated phase are different from both the alpha-phase and the delta-phase, although the fluorescence emission shows no substantial difference between the alpha-phase and the solvated phase. Moreover, we have shown that after the removal of ethanol from the matrix the solvated Alq3 has similar XRD patterns and quadrupolar parameters to that of the alpha-phase. The 2D MQMAS experiments have shown that all the different modifications of Alq3 have 27Al in single unique crystallographic site. The quadrupolar parameters predicted using the DFT calculation under the isodensity polarisable continuum model resemble closely the experimentally obtained values. The solvated phase of Alq3 containing ethanol has structural difference from the alpha-phase of Alq3 (containing meridional isomer) from the solid-state NMR studies. Solid-state NMR can hence be used as an effective complementary tool to XRD for characterisation and structural elucidation.

Conformational response of the phosphatidylcholine headgroup to bilayer surface charge: torsion angle constraints from dipolar and quadrupolar couplings in bicelles.

PubMed

Semchyschyn, Darlene J; Macdonald, Peter M

2004-02-01

The effects of bilayer surface charge on the conformation of the phosphocholine group of phosphatidylcholine were investigated using a torsion angle analysis of quadrupolar and dipolar splittings in, respectively, (2)H and (13)C NMR spectra of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) labelled in the phosphocholine group with either deuterons (POPC-alpha-d(2), POPC-beta-d(2) and POPC-gamma-d(9)) or carbon-13 (POPC-alpha-(13)C and POPC-alphabeta-(13)C(2)) and incorporated into magnetically aligned bicelles containing various amounts of either the cationic amphiphile 1,2-dimyristoyl-3-trimethylammoniumpropane (DMTAP) or the anionic amphiphile 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG). Three sets of quadrupolar splittings, one from each of the three deuteron labelling positions, and three sets of dipolar splittings ((13)C(alpha)-(31)P, (13)C(alpha)-(13)C(beta), (13)C(beta)-(14)N), were measured at each surface charge, along with the (31)P residual chemical shift anisotropy. The torsion angle analysis assumed fast anisotropic rotation of POPC about its long molecular axis, thus projecting all NMR interactions onto that director axis of motion. Dipolar, quadrupolar and chemical shift anisotropies were calculated as a function of the phosphocholine internal torsion angles by first transforming into a common reference frame affixed to the phosphocholine group prior to motional averaging about the director axis. A comparison of experiment and calculation provided the two order parameters specifying the director orientation relative to the molecule, plus the torsion angles alpha(3), alpha(4) and alpha(5). Surface charge was found to have little effect on the torsion angle alpha(5) (rotations about C(alpha)-C(beta)), but to have large and inverse effects on torsion angles alpha(3) [rotations about P-O(11)] and alpha(4) [rotations about O(11)-C(alpha)], yielding a net upwards tilt of the P-N vector in the presence of cationic surface charge, and a downwards tilt in the presence of anionic surface charge, relative to neutrality. Copyright 2004 John Wiley & Sons, Ltd.

Hyperpolarized 131Xe NMR spectroscopy

PubMed Central

Stupic, Karl F.; Cleveland, Zackary I.; Pavlovskaya, Galina E.; Meersmann, Thomas

2011-01-01

Hyperpolarized (hp) 131Xe with up to 2.2% spin polarization (i.e., 5000-fold signal enhancement at 9.4 T) was obtained after separation from the rubidium vapor of the spin-exchange optical pumping (SEOP) process. The SEOP was applied for several minutes in a stopped-flow mode, and the fast, quadrupolar-driven T1 relaxation of this spin I = 3/2 noble gas isotope required a rapid subsequent rubidium removal and swift transfer into the high magnetic field region for NMR detection. Because of the xenon density dependent 131Xe quadrupolar relaxation in the gas phase, the SEOP polarization build-up exhibits an even more pronounced dependence on xenon partial pressure than that observed in 129Xe SEOP. 131Xe is the only stable noble gas isotope with a positive gyromagnetic ratio and shows therefore a different relative phase between hp signal and thermal signal compared to all other noble gases. The gas phase 131Xe NMR spectrum displays a surface and magnetic field dependent quadrupolar splitting that was found to have additional gas pressure and gas composition dependence. The splitting was reduced by the presence of water vapor that presumably influences xenon-surface interactions. The hp 131Xe spectrum shows differential line broadening, suggesting the presence of strong adsorption sites. Beyond hp 131Xe NMR spectroscopy studies, a general equation for the high temperature, thermal spin polarization, P, for spin I⩾1/2 nuclei is presented. PMID:21051249

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sissa, Cristina; Delchiaro, Francesca; Di Maiolo, Francesco

Essential-state models efficiently describe linear and nonlinear spectral properties of different families of charge-transfer chromophores. Here, the essential-state machinery is applied to the calculation of the early-stage dynamics after ultrafast (coherent) excitation of polar and quadrupolar chromophores. The fully non-adiabatic treatment of coupled electronic and vibrational motion allows for a reliable description of the dynamics of these intriguing systems. In particular, the proposed approach is reliable even when the adiabatic and harmonic approximations do not apply, such as for quadrupolar dyes that show a multistable, broken-symmetry excited state. Our approach quite naturally leads to a clear picture for a dynamicalmore » Jahn-Teller effect in these systems. The recovery of symmetry due to dynamical effects is however disrupted in polar solvents where a static symmetry lowering is observed. More generally, thermal disorder in polar solvents is responsible for dephasing phenomena, damping the coherent oscillations with particularly important effects in the case of polar dyes.« less

Higher-order dielectrophoretic effects: levitation at a field null.

PubMed

Washizu, M; Jones, T B; Kaler, K V

1993-08-20

Experiments with certain new micro-electrode structures used to achieve passive dielectrophoretic levitation of small particles and biological cells reveal a pronounced size-dependent effect not anticipated by the conventional dipole-based model. The conventional theory fails to predict this size effect because it neglects higher-order moments such as the quadrupole, hexapole, and octupole. These higher-order moments are in fact responsible for the levitation force achieved by azimuthally periodic electrode structures because, in such geometries, the electric field is zero along the axis so that the induced dipole moment must be zero. For example, the planar quadrupole levitates particles passively along the central axis through the interaction of its field with the induced quadrupolar moment of the particle. The size effect reported with this structure is readily explained in terms of this quadrupolar component of the ponderomotive force exerted on the particle.

Dynamic Nuclear Polarization of 17O: Direct Polarization

PubMed Central

Michaelis, Vladimir K.; Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.

2014-01-01

Dynamic nuclear polarization of 17O was studied using four different polarizing agents – the biradical TOTAPOL, and the monoradicals trityl and SA-BDPA, as well as a mixture of the latter two. Field profiles, DNP mechanisms and enhancements were measured to better understand and optimize directly polarizing this low-gamma quadrupolar nucleus using both mono- and bi-radical polarizing agents. Enhancements were recorded < 88 K and were > 100 using the trityl (OX063) radical and < 10 with the other polarizing agents. The > 10,000 fold savings in acquisition time enabled a series of biologically relevant small molecules to be studied with small sample sizes and the measurement of various quadrupolar parameters. The results are discussed with comparison to room temperature studies and GIPAW quantum chemical calculations. These experimental results illustrate the strength of high field DNP and the importance of radical selection for studying low-gamma nuclei. PMID:24195759

Dynamic nuclear polarization of 17O: direct polarization.

PubMed

Michaelis, Vladimir K; Corzilius, Björn; Smith, Albert A; Griffin, Robert G

2013-12-05

Dynamic nuclear polarization of (17)O was studied using four different polarizing agents: the biradical TOTAPOL and the monoradicals trityl and SA-BDPA, as well as a mixture of the latter two. Field profiles, DNP mechanisms, and enhancements were measured to better understand and optimize directly polarizing this low-gamma quadrupolar nucleus using both mono- and biradical polarizing agents. Enhancements were recorded at <88 K and were >100 using the trityl (OX063) radical and <10 with the other polarizing agents. The >10,000-fold savings in acquisition time enabled a series of biologically relevant small molecules to be studied with small sample sizes and the measurement of various quadrupolar parameters. The results are discussed with comparison to room temperature studies and GIPAW quantum chemical calculations. These experimental results illustrate the strength of high field DNP and the importance of radical selection for studying low-gamma nuclei.

{open_quotes}Quadrupoled{close_quotes} materials for second-order nonlinear optics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hubbard, S.F.; Petschek, R.G.; Singer, K.D.

1997-10-01

We describe a new approach to second-order nonlinear optical materials, namely quadrupoling. This approach is valid in the regime of Kleinman (full permutation) symmetry breaking, and thus requires a two- or three dimensional microscopic nonlinearity at wavelengths away from material resonances. This {open_quotes}quadrupolar{close_quotes} nonlinearity arises from the second rank pseudotensor of the rotationally invariant representation of the second-order nonlinear optical tensor. We have experimentally investigated candidate molecules comprised of chiral camphorquinone derivatives by measuring the scalar invariant associated with the rank two pseudotensor using hyper-Rayleigh scattering. We have found sizable scalar figures of merit for several compounds using light formore » which the second harmonic wavelengths are greater than 100 nm longer than the absorption peak location. At these wavelengths, the quadrupolar scalar is as large as the polar (EFISH) scalar of p-nitroaniline. Prospects for applications are discussed.« less

Programmable and reversible plasmon mode engineering.

PubMed

Yang, Ankun; Hryn, Alexander J; Bourgeois, Marc R; Lee, Won-Kyu; Hu, Jingtian; Schatz, George C; Odom, Teri W

2016-12-13

Plasmonic nanostructures with enhanced localized optical fields as well as narrow linewidths have driven advances in numerous applications. However, the active engineering of ultranarrow resonances across the visible regime-and within a single system-has not yet been demonstrated. This paper describes how aluminum nanoparticle arrays embedded in an elastomeric slab may exhibit high-quality resonances with linewidths as narrow as 3 nm at wavelengths not accessible by conventional plasmonic materials. We exploited stretching to improve and tune simultaneously the optical response of as-fabricated nanoparticle arrays by shifting the diffraction mode relative to single-particle dipolar or quadrupolar resonances. This dynamic modulation of particle-particle spacing enabled either dipolar or quadrupolar lattice modes to be selectively accessed and individually optimized. Programmable plasmon modes offer a robust way to achieve real-time tunable materials for plasmon-enhanced molecular sensing and plasmonic nanolasers and opens new possibilities for integrating with flexible electronics.

Interaction of Strain and Nuclear Spins in Silicon: Quadrupolar Effects on Ionized Donors

NASA Astrophysics Data System (ADS)

Franke, David P.; Hrubesch, Florian M.; Künzl, Markus; Becker, Hans-Werner; Itoh, Kohei M.; Stutzmann, Martin; Hoehne, Felix; Dreher, Lukas; Brandt, Martin S.

2015-07-01

The nuclear spins of ionized donors in silicon have become an interesting quantum resource due to their very long coherence times. Their perfect isolation, however, comes at a price, since the absence of the donor electron makes the nuclear spin difficult to control. We demonstrate that the quadrupolar interaction allows us to effectively tune the nuclear magnetic resonance of ionized arsenic donors in silicon via strain and determine the two nonzero elements of the S tensor linking strain and electric field gradients in this material to S11=1.5 ×1022 V /m2 and S44=6 ×1022 V /m2 . We find a stronger benefit of dynamical decoupling on the coherence properties of transitions subject to first-order quadrupole shifts than on those subject to only second-order shifts and discuss applications of quadrupole physics including mechanical driving of magnetic resonance, cooling of mechanical resonators, and strain-mediated spin coupling.

Investigation on the morphological and optical evolution of bimetallic Pd-Ag nanoparticles on sapphire (0001) by the systematic control of composition, annealing temperature and time

PubMed Central

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil

2017-01-01

Multi-metallic alloy nanoparticles (NPs) can offer additional opportunities for modifying the electronic, optical and catalytic properties by the control of composition, configuration and size of individual nanostructures that are consisted of more than single element. In this paper, the fabrication of bimetallic Pd-Ag NPs is systematically demonstrated via the solid state dewetting of bilayer thin films on c-plane sapphire by governing the temperature, time as well as composition. The composition of Pd-Ag bilayer remarkably affects the morphology of alloy nanostructures, in which the higher Ag composition, i.e. Pd0.25Ag0.75, leads to the enhanced dewetting of bilayers whereas the higher Pd composition (Pd0.75Ag0.25) hinders the dewetting. Depending on the annealing temperature, Pd-Ag alloy nanostructures evolve with a series of configurations, i.e. nucleation of voids, porous network, elongated nanoclusters and round alloy NPs. In addition, with the annealing time set, the gradual configuration transformation from the elongated to round alloy NPs as well as size reduction is demonstrated due to the enhanced diffusion and sublimation of Ag atoms. The evolution of various morphology of Pd-Ag nanostructures is described based on the surface diffusion and inter-diffusion of Pd and Ag adatoms along with the Ag sublimation, Rayleigh instability and energy minimization mechanism. The reflectance spectra of bimetallic Pd-Ag nanostructures exhibit various quadrupolar and dipolar resonance peaks, peak shifts and absorption dips owing to the surface plasmon resonance of nanostructures depending on the surface morphology. The intensity of reflectance spectra is gradually decreased along with the surface coverage and NP size evolution. The absorption dips are red-shifted towards the longer wavelength for the larger alloy NPs and vice-versa. PMID:29253017

THE EFFECT OF MAGNETIC TOPOLOGY ON THERMALLY DRIVEN WIND: TOWARD A GENERAL FORMULATION OF THE BRAKING LAW

DOE Office of Scientific and Technical Information (OSTI.GOV)

Réville, Victor; Brun, Allan Sacha; Strugarek, Antoine

Stellar wind is thought to be the main process responsible for the spin down of main-sequence stars. The extraction of angular momentum by a magnetized wind has been studied for decades, leading to several formulations for the resulting torque. However, previous studies generally consider simple dipole or split monopole stellar magnetic topologies. Here we consider, in addition to a dipolar stellar magnetic field, both quadrupolar and octupolar configurations, while also varying the rotation rate and the magnetic field strength. Sixty simulations made with a 2.5D cylindrical and axisymmetric set-up, and computed with the PLUTO code, were used to find torquemore » formulations for each topology. We further succeed to give a unique law that fits the data for every topology by formulating the torque in terms of the amount of open magnetic flux in the wind. We also show that our formulation can be applied to even more realistic magnetic topologies, with examples of the Sun in its minimum and maximum phases as observed at the Wilcox Solar Observatory, and of a young K-star (TYC-0486-4943-1) whose topology has been obtained by Zeeman-Doppler Imaging.« less

Convection in Neptune's magnetosphere

NASA Technical Reports Server (NTRS)

Hill, T. W.; Dessler, A. J.

1990-01-01

It is assumed that nonthermal escape from Triton's atmosphere produces a co-orbiting torus of unionized gas (presumably nitrogen and hydrogen) that subsequently becomes ionized by electron impact to populate a partial Triton plasma torus analogous to the Io plasma torus in Jupiter's magnetosphere. Centrifugal and magnetic-mirror forces confine the ions to a plasma sheet located between the magnetic and centrifugal equators. The ionization rate, and hence the torus ion concentration, is strongly peaked at the two points (approximately 180 deg apart in longitude) at which Triton's orbit intersects the plasma equator. During the course of Neptune's rotation these intersection points trace out two arcs roughly 75 deg in longitudinal extent, which we take to be the configuration of the resulting (partial) plasma torus. The implied partial ring currents produce a quadrupolar (four-cell) convection system that provides rapid outward transport of plasma from the arcs. Ring-current shielding, however, prevents this convection system from penetrating very far inside the plasma-arc distance. It is suggested that this convection/shielding process accounts for the radial confinement of trapped particles (150 keV or greater) within L = 14.3 as observed by the Voyager LECP instrument.

The influence of the magnetic topology on the wind braking of sun-like stars.

NASA Astrophysics Data System (ADS)

Réville, V.; Brun, A. S.; Matt, S. P.; Strugarek, A.; Pinto, R.

2014-12-01

Stellar winds are thought to be the main process responsible for the spin down of main-sequence stars. The extraction of angular momentum by a magnetized wind has been studied for decades, leading to several formulations for the resulting torque. However, previous studies generally consider simple dipole or split monopole stellar magnetic topologies. Here we consider in addition to a dipolar stellar magnetic field, both quadrupolar and octupolar configurations, while also varying the rotation rate and the magnetic field strength. 60 simulations made with a 2.5D, cylindrical and axisymmetric set-up and computed with the PLUTO code were used to find torque formulations for each topology. We further succeed to give a unique law that fits the data for every topology by formulating the torque in terms of the amount of open magnetic flux in the wind. We also show that our formulation can be applied to even more realistic magnetic topologies, with examples of the Sun in its minimum and maximum phase as observed at the Wilcox Solar Observatory, and of a young K-star (TYC-0486-4943-1) whose topology has been obtained by Zeeman-Doppler Imaging (ZDI).

A hydrodynamic mechanism for spontaneous formation of ordered drop arrays in confined shear flow

NASA Astrophysics Data System (ADS)

Singha, Sagnik; Zurita-Gotor, Mauricio; Loewenberg, Michael; Migler, Kalman; Blawzdziewicz, Jerzy

2017-11-01

It has been experimentally demonstrated that a drop monolayer driven by a confined shear flow in a Couette device can spontaneously arrange into a flow-oriented parallel chain microstructure. However, the hydrodynamic mechanism of this puzzling self-assembly phenomenon has so far eluded explanation. In a recent publication we suggested that the observed spontaneous drop ordering may arise from hydrodynamic interparticle interactions via a far-field quadrupolar Hele-Shaw flow associated with drop deformation. To verify this conjecture we have developed a simple numerical-simulation model that includes the far-field Hele-Shaw flow quadrupoles and a near-field short-range repulsion. Our simulations show that an initially disordered particle configuration self-organizes into a system of particle chains, similar to the experimentally observed drop-chain structures. The initial stage of chain formation is fast; subsequently, microstructural defects in a partially ordered system are removed by slow annealing, leading to an array of equally spaced parallel chains with a small number of defects. The microstructure evolution is analyzed using angular and spatial order parameters and correlation functions. Supported by NSF Grants No. CBET 1603627 and CBET 1603806.

Field characteristics of an alvarez-type linac structure having chain-like electrode array

DOE Office of Scientific and Technical Information (OSTI.GOV)

Odera, M.; Goto, A.; Hemmi, M.

1985-10-01

A chain-like electrode configuration in an Alvarez-type linac cavity was studied by models. The structure has been devised to get a moderate shunt impedance together with simplicity of operation, in ion velocity region of more than a few percent of that of light by incorporating focusing scheme by high frequency quadrupolar fields into an TM-010 accelerating field of an Alvarez linac. It has a chain-like electrode array instead of drift tubes containing quadrupole lenses for ordinary linacs. The chain-like electrode structure generates along its central axis, high frequency acceleration and focusing fields alternately, separating the acceleration and focusing functions inmore » space. The separation discriminates this structure from spatially uniform acceleration and focusing scheme of the RFQs devised by Kapchinsky and Teplyakov. It gives beam acceleration effects different from those by conventional linacs and reveals possibility of getting a high acceleration efficiency. Resonant frequency spectrum was found relatively simple by measurements on high frequency models. Separation of unwanted modes from the TM-010 acceleration mode is large; a few 10 MHz, at least. Tilt of the acceleration field is not very sensitive to pertubation in gap capacitance for the TM-010 mode.« less

Simulations of Flare Reconnection in Breakout Coronal Mass Ejections

NASA Astrophysics Data System (ADS)

DeVore, C. Richard; Karpen, J. T.; Antiochos, S. K.

2009-05-01

We report 3D MHD simulations of the flare reconnection in the corona below breakout coronal mass ejections (CMEs). The initial setup is a single bipolar active region imbedded in the global-scale background dipolar field of the Sun, forming a quadrupolar magnetic configuration with a coronal null point. Rotational motions applied to the active-region polarities at the base of the atmosphere introduce shear across the polarity inversion line (PIL). Eventually, the magnetic stress and energy reach the critical threshold for runaway breakout reconnection, at which point the sheared core field erupts outward at high speed. The vertical current sheet formed by the stretching of the departing sheared field suffers reconnection that reforms the initial low-lying arcade across the PIL, i.e., creates the flare loops. Our simulation model, the Adaptively Refined MHD Solver, exploits local grid refinement to resolve the detailed structure and evolution of the highly dynamic current sheet. We are analyzing the numerical experiments to identify and interpret observable signatures of the flare reconnection associated with CMEs, e.g., the flare loops and ribbons, coronal jets and shock waves, and possible origins of solar energetic particles. This research was supported by NASA and ONR.

Spin-locking of half-integer quadrupolar nuclei in nuclear magnetic resonance of solids: creation and evolution of coherences.

PubMed

Ashbrook, Sharon E; Wimperis, Stephen

2004-02-08

Spin-locking of half-integer quadrupolar nuclei, such as 23Na (I=3/2) and 27Al (I=5/2), is of renewed interest owing to the development of variants of the multiple-quantum and satellite-transition magic angle spinning (MAS) nuclear magnetic resonance experiments that either utilize spin-locking directly or offer the possibility that spin-locked states may arise. However, the large magnitude and, under MAS, the time dependence of the quadrupolar interaction often result in complex spin-locking phenomena that are not widely understood. Here we show that, following the application of a spin-locking pulse, a variety of coherence transfer processes occur on a time scale of approximately 1/omegaQ before the spin system settles down into a spin-locked state which may itself be time dependent if MAS is performed. We show theoretically for both spin I=3/2 and 5/2 nuclei that the spin-locked state created by this initial rapid dephasing typically consists of a variety of single- and multiple-quantum coherences and nonequilibrium population states and we discuss the subsequent evolution of these under MAS. In contrast to previous work, we consider spin-locking using a wide range of radio frequency field strengths, i.e., a range that covers both the "strong-field" (omega1 > omegaQPAS and "weak-field" (omega1 < omegaQPAS limits. Single- and multiple-quantum filtered spin-locking experiments on NaNO2, NaNO3, and Al(acac)3, under both static and MAS conditions, are used to illustrate and confirm the results of the theoretical discussion.

Titan Ground Complex Permittivity at the HUYGENS Landing Site; the PWA-HASI and Other Instruments Data Revisited

NASA Astrophysics Data System (ADS)

Hamelin, M.; Lethuillier, A.; Le Gall, A. A.; Grard, R.; Ciarletti, V.; Béghin, C.; Schwingenschuh, K.; Lorenz, R. D.; Lopez-Moreno, J. J.; Jernej, I.; Brown, V.; Ferri, F.

2014-12-01

Ten years after the successful landing of the HUYGENS probe on the surface of Titan, we reassess the complex permittivity measurements of the surface materials performed by the PWA-HASI experiment (Permittivity, Waves and Altimetry - Huygens Atmospheric Structure Instrument). The complex permittivity is inferred from the mutual impedance of a classical quadrupolar probe, ie. the ratio of the voltage measured by a receiving dipole over the current emitted by another dipole. Using a simple model of the quadrupole configuration, the dielectric constant of the material at the landing site was first estimated to be of the order of 1.8. A more realistic numerical model that took into account the influence of the HUYGENS gondola yielded a dielectric constant in the range 2-3 and a conductivity in the range 0.4 - 0.8 nS/m. due to uncertainties about the system geometry ( Grard et al., 2006). However, a puzzling experimental fact remains to be explained, namely a sudden variation of the amplitude and phase of the received voltage 11 mn after landing that cannot be associated with any lander mechanical disturbance. Permittivity estimations were based on the first 11 mn sequence. The present analysis takes advantage of a recent analysis of the landing process that provided more realistic final position and attitude for the HUYGENS lander (Schroder et al., 2012). The new results lie within former estimated ranges and attention is paid to their sensitivity to geometry and to the reference measurements collected immediately before landing. This point is particularly critical for the estimation of the conductivity. The complete data set has been analysed, including the sequence collected after the first 11 mn. We consider various scenarios that may explain the observed phase and amplitude discontinuity. We tested two layers ground models in order to investigate the possibility that the upper layer may have experienced a fast physical change due to deliquescence or outgasing. Unfortunately a rigid quadrupolar array measure the average electric properties of the ground and cannot detect any inhomogeneity. We present in addition the measurements made last May in the Dachstein ice cave in Austria, with a mockup of HUYGENS-PWA and a replica of the PP-SESAME instrument onboard the PHILAE lander of ROSETTA

Frequency metrology using highly charged ions

NASA Astrophysics Data System (ADS)

Crespo López-Urrutia, J. R.

2016-06-01

Due to the scaling laws of relativistic fine structure splitting, many forbidden optical transitions appear within the ground state configurations of highly charged ions (HCI). In some hydrogen-like ions, even the hyperfine splitting of the 1s ground state gives rise to optical transitions. Given the very low polarizability of HCI, such laser-accessible transitions are extremely impervious to external perturbations and systematics that limit optical clock performance and arise from AC and DC Stark effects, such as black-body radiation and light shifts. Moreover, AC and DC Zeeman splitting are symmetric due to the much larger relativistic spin-orbit coupling and corresponding fine-structure splitting. Appropriate choice of states or magnetic sub-states with suitable total angular momentum and magnetic quantum numbers can lead to a cancellation of residual quadrupolar shifts. All these properties are very advantageous for the proposed use of HCI forbidden lines as optical frequency standards. Extremely magnified relativistic, quantum electrodynamic, and nuclear size contributions to the binding energies of the optically active electrons make HCI ideal tools for fundamental research, as in proposed studies of a possible time variation of the fine structure constant. Beyond this, HCI that cannot be photoionized by vacuum-ultraviolet photons could also provide frequency standards for future lasers operating in that range.

Search for multipolar instability in URu2Si2 studied by ultrasonic measurements under pulsed magnetic field

NASA Astrophysics Data System (ADS)

Yanagisawa, T.; Mombetsu, S.; Hidaka, H.; Amitsuka, H.; Cong, P. T.; Yasin, S.; Zherlitsyn, S.; Wosnitza, J.; Huang, K.; Kanchanavatee, N.; Janoschek, M.; Maple, M. B.; Aoki, D.

2018-04-01

The elastic properties of URu2Si2 in the high magnetic field region above 40 T, over a wide temperature range from 1.5 to 120 K, were systematically investigated by means of high-frequency ultrasonic measurements. The investigation was performed at high magnetic fields to better investigate the innate bare 5 f -electron properties, since the unidentified electronic thermodynamic phase of unknown origin, the so-called "hidden order" (HO), and associated hybridization of conduction and f electrons (c -f hybridization) are suppressed at high magnetic fields. From the three different transverse modes we find contrasting results; both the Γ4(B2 g) and Γ5(Eg) symmetry modes C66 and C44 show elastic softening that is enhanced above 30 T, while the characteristic softening of the Γ3(B1 g) symmetry mode (C11-C12)/2 is suppressed in high magnetic fields. These results underscore the presence of a hybridization-driven Γ3(B1 g) lattice instability in URu2Si2 . However, the results from this work cannot be explained by using existing crystalline electric field schemes applied to the quadrupolar susceptibility in a local 5 f2 configuration. Instead, we present an analysis based on a band Jahn-Teller effect.

Investigation of timing effects in modified composite quadrupolar echo pulse sequences by mean of average Hamiltonian theory

NASA Astrophysics Data System (ADS)

Mananga, Eugene Stephane

2018-01-01

The utility of the average Hamiltonian theory and its antecedent the Magnus expansion is presented. We assessed the concept of convergence of the Magnus expansion in quadrupolar spectroscopy of spin-1 via the square of the magnitude of the average Hamiltonian. We investigated this approach for two specific modified composite pulse sequences: COM-Im and COM-IVm. It is demonstrated that the size of the square of the magnitude of zero order average Hamiltonian obtained on the appropriated basis is a viable approach to study the convergence of the Magnus expansion. The approach turns to be efficient in studying pulse sequences in general and can be very useful to investigate coherent averaging in the development of high resolution NMR technique in solids. This approach allows comparing theoretically the two modified composite pulse sequences COM-Im and COM-IVm. We also compare theoretically the current modified composite sequences (COM-Im and COM-IVm) to the recently published modified composite pulse sequences (MCOM-I, MCOM-IV, MCOM-I_d, MCOM-IV_d).

Determination of NH proton chemical shift anisotropy with 14N-1H heteronuclear decoupling using ultrafast magic angle spinning solid-state NMR

NASA Astrophysics Data System (ADS)

Pandey, Manoj Kumar; Nishiyama, Yusuke

2015-12-01

The extraction of chemical shift anisotropy (CSA) tensors of protons either directly bonded to 14N nuclei (I = 1) or lying in their vicinity using rotor-synchronous recoupling pulse sequence is always fraught with difficulty due to simultaneous recoupling of 14N-1H heteronuclear dipolar couplings and the lack of methods to efficiently decouple these interactions. This difficulty mainly arises from the presence of large 14N quadrupolar interactions in comparison to the rf field that can practically be achieved. In the present work it is demonstrated that the application of on-resonance 14N-1H decoupling with rf field strength ∼30 times weaker than the 14N quadrupolar coupling during 1H CSA recoupling under ultrafast MAS (90 kHz) results in CSA lineshapes that are free from any distortions from recoupled 14N-1H interactions. With the use of extensive numerical simulations we have shown the applicability of our proposed method on a naturally abundant L-Histidine HCl·H2O sample.

Modeling for IFOG Vibration Error Based on the Strain Distribution of Quadrupolar Fiber Coil

PubMed Central

Gao, Zhongxing; Zhang, Yonggang; Zhang, Yunhao

2016-01-01

Improving the performance of interferometric fiber optic gyroscope (IFOG) in harsh environment, especially in vibrational environment, is necessary for its practical applications. This paper presents a mathematical model for IFOG to theoretically compute the short-term rate errors caused by mechanical vibration. The computational procedures are mainly based on the strain distribution of quadrupolar fiber coil measured by stress analyzer. The definition of asymmetry of strain distribution (ASD) is given in the paper to evaluate the winding quality of the coil. The established model reveals that the high ASD and the variable fiber elastic modulus in large strain situation are two dominant reasons that give rise to nonreciprocity phase shift in IFOG under vibration. Furthermore, theoretical analysis and computational results indicate that vibration errors of both open-loop and closed-loop IFOG increase with the raise of vibrational amplitude, vibrational frequency and ASD. Finally, an estimation of vibration-induced IFOG errors in aircraft is done according to the proposed model. Our work is meaningful in designing IFOG coils to achieve a better anti-vibration performance. PMID:27455257

Features of Electron Density Distribution in Delafossite Cualo2

NASA Astrophysics Data System (ADS)

Pogoreltsev, A. I.; Schmidt, S. V.; Gavrilenko, A. N.; Shulgin, D. A.; Korzun, B. V.; Matukhin, V. L.

2015-07-01

We have used pulsed 63,65Cu nuclear quadrupole resonance at room temperature to study the semiconductor compound CuAlO2 with a delafossite crystal structure, and we have determined the quadrupole frequency νQ = 28.12 MHz and the asymmetry parameter η ~ 0, which we used to study the features of the electron density distribution in the vicinity of the quadrupolar nucleus. In order to take into account the influence of correlation effects on the electric field gradient, we carried out ab initio calculations within the density functional theory (DFT) approximation using a set of correlation functionals VWN1RPA, VWN5, PW91LDA, CPW91, and B3LYP1. We mapped the electron density distribution in the vicinity of the quadrupolar copper nucleus for the Cu7Al6o{14/- 1} cluster and we calculated the size of the LUMO-HOMO gap, Δ ~ 3.33 eV. We established the anisotropy of the spatial electron density distribution. Based on analysis of the electron density distribution obtained, we suggest that the bond in CuAlO2 is not purely covalent.

Earth's magnetic field enabled scalar coupling relaxation of 13C nuclei bound to fast-relaxing quadrupolar 14N in amide groups.

PubMed

Chiavazza, Enrico; Kubala, Eugen; Gringeri, Concetta V; Düwel, Stephan; Durst, Markus; Schulte, Rolf F; Menzel, Marion I

2013-02-01

Scalar coupling relaxation, which is usually only associated with closely resonant nuclei (e.g., (79)Br-(13)C), can be a very effective relaxation mechanism. While working on hyperpolarized [5-(13)C]glutamine, fast liquid-state polarization decay during transfer to the MRI scanner was observed. This behavior could hypothetically be explained by substantial T(1) shortening due to a scalar coupling contribution (type II) to the relaxation caused by the fast-relaxing quadrupolar (14)N adjacent to the (13)C nucleus in the amide group. This contribution is only effective in low magnetic fields (i.e., less than 800 μT) and prevents the use of molecules bearing the (13)C-amide group as hyperpolarized MRS/MRI probes. In the present work, this hypothesis is explored both theoretically and experimentally. The results show that high hyperpolarization levels can be retained using either a (15)N-labeled amide or by applying a magnetic field during transfer of the sample from the polarizer to the MRI scanner. Copyright © 2012 Elsevier Inc. All rights reserved.

Photoinduced ICT vs. excited rotamer intercoversion in two quadrupolar polyaromatic N-methylpyridinium cations.

PubMed

Cesaretti, A; Carlotti, B; Elisei, F; Fortuna, C G; Spalletti, A

2018-01-24

The excited state dynamics of two quadrupolar polyaromatic N-methylpyridinium cations have been fully investigated in order to acquire detailed information on their photo-induced behavior. The two molecules are symmetric push-pull compounds having a D-π-A + -π-D motif, with the same electron-acceptor central unit (A = N-methylpyridinium) and two distinctive electron-donor polyaromatic side groups (D), namely naphthyl and pyrenyl substituents. Both molecules undergo charge transfer during the absorption, as revealed by a significant solvatochromism exhibited with solvent polarity, but the fate of their excited state was found to be markedly different. The careful analysis of the data gathered from femtosecond-resolved fluorescence up-conversion and transient absorption experiments, supported by DFT quantum mechanical calculations and temperature-dependent stationary measurements, shows the leading role of intramolecular charge transfer, assisted by symmetry breaking, in the pyrenyl derivative and that of rotamer interconversion in the naphthtyl one. Both excited state processes are controlled by the viscosity rather than polarity of the solvent, and they occur during inertial solvation in low-viscous media and lengthening up to tens of picoseconds in highly viscous solvents.

Spin-locking of half-integer quadrupolar nuclei in NMR of solids: The far off-resonance case.

PubMed

Odedra, Smita; Wimperis, Stephen

Spin-locking of spin I=3/2 and I=5/2 nuclei in the presence of large resonance offsets has been studied using both approximate and exact theoretical approaches and, in the case of I=3/2, experimentally. We show the variety of coherences and population states produced in a far off-resonance spin-locking NMR experiment (one consisting solely of a spin-locking pulse) and how these vary with the radiofrequency field strength and offset frequency. Under magic angle spinning (MAS) conditions and in the "adiabatic limit", these spin-locked states acquire a time dependence. We discuss the rotor-driven interconversion of the spin-locked states, using an exact density matrix approach to confirm the results of the approximate model. Using conventional and multiple-quantum filtered spin-locking 23 Na (I=3/2) NMR experiments under both static and MAS conditions, we confirm the results of the theoretical calculations, demonstrating the applicability of the approximate theoretical model to the far off-resonance case. This simplified model includes only the effects of the initial rapid dephasing of coherences that occurs at the start of the spin-locking period and its success in reproducing both experimental and exact simulation data indicates that it is this dephasing that is the dominant phenomenon in NMR spin-locking of quadrupolar nuclei, as we have previously found for the on-resonance and near-resonance cases. Potentially, far off-resonance spin-locking of quadrupolar nuclei could be of interest in experiments such as cross polarisation as a consequence of the spin-locking pulse being applied to a better defined initial state (the thermal equilibrium bulk magnetisation aligned along the z-axis) than can be created in a powdered solid with a selective radiofrequency pulse, where the effect of the pulse depends on the orientation of the individual crystallites. Copyright © 2016 Elsevier Inc. All rights reserved.

Structural modeling of carbonaceous mesophase amphotropic mixtures under uniaxial extensional flow.

PubMed

Golmohammadi, Mojdeh; Rey, Alejandro D

2010-07-21

The extended Maier-Saupe model for binary mixtures of model carbonaceous mesophases (uniaxial discotic nematogens) under externally imposed flow, formulated in previous studies [M. Golmohammadi and A. D. Rey, Liquid Crystals 36, 75 (2009); M. Golmohammadi and A. D. Rey, Entropy 10, 183 (2008)], is used to characterize the effect of uniaxial extensional flow and concentration on phase behavior and structure of these mesogenic blends. The generic thermorheological phase diagram of the single-phase binary mixture, given in terms of temperature (T) and Deborah (De) number, shows the existence of four T-De transition lines that define regions that correspond to the following quadrupolar tensor order parameter structures: (i) oblate (perpendicular, parallel), (ii) prolate (perpendicular, parallel), (iii) scalene O(perpendicular, parallel), and (iv) scalene P(perpendicular, parallel), where the symbols (perpendicular, parallel) indicate alignment of the tensor order ellipsoid with respect to the extension axis. It is found that with increasing T the dominant component of the mixture exhibits weak deviations from the well-known pure species response to uniaxial extensional flow (uniaxial perpendicular nematic-->biaxial nematic-->uniaxial parallel paranematic). In contrast, the slaved component shows a strong deviation from the pure species response. This deviation is dictated by the asymmetric viscoelastic coupling effects emanating from the dominant component. Changes in conformation (oblate <==> prolate) and orientation (perpendicular <==> parallel) are effected through changes in pairs of eigenvalues of the quadrupolar tensor order parameter. The complexity of the structural sensitivity to temperature and extensional flow is a reflection of the dual lyotropic/thermotropic nature (amphotropic nature) of the mixture and their cooperation/competition. The analysis demonstrates that the simple structures (biaxial nematic and uniaxial paranematic) observed in pure discotic mesogens under uniaxial extensional flow are significantly enriched by the interaction of the lyotropic/thermotropic competition with the binary molecular architectures and with the quadrupolar nature of the flow.

Nonlinear dynamics in low permittivity media: the impact of losses.

PubMed

Vincenti, M A; de Ceglia, D; Scalora, M

2013-12-02

Slabs of materials with near-zero permittivity display enhanced nonlinear processes. We show that field enhancement due to the continuity of the longitudinal component of the displacement field drastically enhances harmonic generation. We investigate the impact of losses with and without bulk nonlinearities and demonstrate that in the latter scenario surface, magnetic and quadrupolar nonlinear sources cannot always be ignored.

The Impact of Geometrical Constraints on Collisionless Magnetic Reconnection

NASA Technical Reports Server (NTRS)

Hesse, Michael; Aunai, Nico; Kuznetsova, Masha; Frolov, Rebekah; Black, Carrrie

2012-01-01

One of the most often cited features associated with collisionless magnetic reconnection is a Hall-type magnetic field, which leads, in antiparallel geometries, to a quadrupolar magnetic field signature. The combination of this out of plane magnetic field with the reconnection in-plane magnetic field leads to angling of magnetic flux tubes out of the plane defined by the incoming magnetic flux. Because it is propagated by Whistler waves, the quadrupolar field can extend over large distances in relatively short amounts of time - in fact, it will extend to the boundary of any modeling domain. In reality, however, the surrounding plasma and magnetic field geometry, defined, for example, by the overall solar wind flow, will in practice limit the extend over which a flux tube can be angled out of the main plain. This poses the question to what extent geometric constraints limit or control the reconnection process and this is the question investigated in this presentation. The investigation will involve a comparison of calculations, where open boundary conditions are set up to mimic either free or constrained geometries. We will compare momentum transport, the geometry of the reconnection regions, and the acceleration if ions and electrons to provide the current sheet in the outflow jet.

A study of isotropic-nematic transition of quadrupolar Gay-Berne fluid using density-functional theory approach

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra; Ram, Jokhan

2011-11-01

The effects of quadrupole moments on the isotropic-nematic (IN) phase transitions are studied using the density-functional theory (DFT) for a Gay-Berne (GB) fluid for a range of length-to-breadth parameters ? in the reduced temperature range ? . The pair-correlation functions of the isotropic phase, which enter into the DFT as input parameters are found by solving the Percus-Yevick integral equation theory. The method used involves an expansion of angle-dependent functions appearing in the integral equations in terms of spherical harmonics and the harmonic coefficients are obtained by an iterative algorithm. All the terms of harmonic coefficients which involve l indices up to less than or equal to 6 are considered. The numerical accuracy of the results depends on the number of spherical harmonic coefficients considered for each orientation-dependent function. As the length-to-breadth ratio of quadrupolar GB molecules is increased, the IN transition is seen to move to lower density (and pressure) at a given temperature. It has been observed that the DFT is good to study the IN transitions in such fluids. The theoretical results have also been compared with the computer simulation results wherever they are available.

A simple model of solvent-induced symmetry-breaking charge transfer in excited quadrupolar molecules

NASA Astrophysics Data System (ADS)

Ivanov, Anatoly I.; Dereka, Bogdan; Vauthey, Eric

2017-04-01

A simple model has been developed to describe the symmetry-breaking of the electronic distribution of AL-D-AR type molecules in the excited state, where D is an electron donor and AL and AR are identical acceptors. The origin of this process is usually associated with the interaction between the molecule and the solvent polarization that stabilizes an asymmetric and dipolar state, with a larger charge transfer on one side than on the other. An additional symmetry-breaking mechanism involving the direct Coulomb interaction of the charges on the acceptors is proposed. At the same time, the electronic coupling between the two degenerate states, which correspond to the transferred charge being localised either on AL or AR, favours a quadrupolar excited state with equal amount of charge-transfer on both sides. Because of these counteracting effects, symmetry breaking is only feasible when the electronic coupling remains below a threshold value, which depends on the solvation energy and the Coulomb repulsion energy between the charges located on AL and AR. This model allows reproducing the solvent polarity dependence of the symmetry-breaking reported recently using time-resolved infrared spectroscopy.

NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations.

PubMed

Sadoc, Aymeric; Body, Monique; Legein, Christophe; Biswal, Mamata; Fayon, Franck; Rocquefelte, Xavier; Boucher, Florent

2011-11-07

(19)F isotropic chemical shifts for alkali, alkaline earth and rare earth of column 3 basic fluorides are measured and the corresponding isotropic chemical shieldings are calculated using the GIPAW method. When using the PBE exchange-correlation functional for the treatment of the cationic localized empty orbitals of Ca(2+), Sc(3+) (3d) and La(3+) (4f), a correction is needed to accurately calculate (19)F chemical shieldings. We show that the correlation between experimental isotropic chemical shifts and calculated isotropic chemical shieldings established for the studied compounds allows us to predict (19)F NMR spectra of crystalline compounds with a relatively good accuracy. In addition, we experimentally determine the quadrupolar parameters of (25)Mg in MgF(2) and calculate the electric field gradients of (25)Mg in MgF(2) and (139)La in LaF(3) using both PAW and LAPW methods. The orientation of the EFG components in the crystallographic frame, provided by DFT calculations, is analysed in terms of electron densities. It is shown that consideration of the quadrupolar charge deformation is essential for the analysis of slightly distorted environments or highly irregular polyhedra. This journal is © the Owner Societies 2011

A model explaining synchronization of neuron bioelectric frequency under weak alternating low frequency magnetic field

NASA Astrophysics Data System (ADS)

del Moral, A.; Azanza, María J.

2015-03-01

A biomagnetic-electrical model is presented that explains rather well the experimentally observed synchronization of the bioelectric potential firing rate ("frequency"), f, of single unit neurons of Helix aspersa mollusc under the application of extremely low frequency (ELF) weak alternating (AC) magnetic fields (MF). The proposed model incorporates to our widely experimentally tested model of superdiamagnetism (SD) and Ca2+ Coulomb explosion (CE) from lipid (LP) bilayer membrane (SD-CE model), the electrical quadrupolar long range interaction between the bilayer LP membranes of synchronized neuron pairs, not considered before. The quadrupolar interaction is capable of explaining well the observed synchronization. Actual extension of our SD-CE-model shows that the neuron firing frequency field, B, dependence becomes not modified, but the bioelectric frequency is decreased and its spontaneous temperature, T, dependence is modified. A comparison of the model with synchronization experimental results of pair of neurons under weak (B0 ≅0.2-15 mT) AC-MF of frequency fM=50 Hz is reported. From the deduced size of synchronized LP clusters under B, is suggested the formation of small neuron networks via the membrane lipid correlation.

Spin cat state generation for quadrupolar nuclei in semiconductor quantum dots or defect centers

NASA Astrophysics Data System (ADS)

Bulutay, Ceyhun

Implementing spin-based quantum information encoding schemes in semiconductors has a high priority. The so-called cat codes offer a paradigm that enables hardware-efficient error correction. Their inauguration to semiconductor-based nuclear magnetic resonance framework hinges upon the realization of coherent spin states (CSS). In this work, we show how the crucial superpositions of CSS can be generated for the nuclear spins. This is through the intrinsic electric quadrupole interaction involving a critical role by the biaxiality term that is readily available, as in strained heterostructures of semiconductors, or defect centers having nearby quadrupolar spins. The persistence of the cat states is achieved using a rotation pulse so as to harness the underlying fixed points of the classical Hamiltonian. We classify the two distinct types as polar- and equator-bound over the Bloch sphere with respect to principal axes. Their optimal performance as well as sensitivity under numerous parameter deviations are analyzed. Finally, we present how these modulo-2 cat states can be extended to modulo-4 by a three-pulse scheme. This work was supported by TUBITAK, The Scientific and Technological Research Council of Turkey through the project No. 114F409.

Resolution enhancement using a new multiple-pulse decoupling sequence for quadrupolar nuclei.

PubMed

Delevoye, L; Trébosc, J; Gan, Z; Montagne, L; Amoureux, J-P

2007-05-01

A new decoupling composite pulse sequence is proposed to remove the broadening on spin S=1/2 magic-angle spinning (MAS) spectra arising from the scalar coupling with a quadrupolar nucleus I. It is illustrated on the (31)P spectrum of an aluminophosphate, AlPO(4)-14, which is broadened by the presence of (27)Al/(31)P scalar couplings. The multiple-pulse (MP) sequence has the advantage over the continuous wave (CW) irradiation to efficiently annul the scalar dephasing without reintroducing the dipolar interaction. The MP decoupling sequence is first described in a rotor-synchronised version (RS-MP) where one parameter only needs to be adjusted. It clearly avoids the dipolar recoupling in order to achieve a better resolution than using the CW sequence. In a second improved version, the MP sequence is experimentally studied in the vicinity of the perfect rotor-synchronised conditions. The linewidth at half maximum (FWHM) of 65 Hz using (27)Al CW decoupling decreases to 48 Hz with RS-MP decoupling and to 30 Hz with rotor-asynchronised MP (RA-MP) decoupling. The main phenomena are explained using both experimental results and numerical simulations.

Combined AC electroosmosis and dielectrophoresis for controlled rotation of microparticles

PubMed Central

Walid Rezanoor, Md.; Dutta, Prashanta

2016-01-01

Electrorotation is widely used for characterization of biological cells and materials using a rotating electric field. Generally, multiphase AC electric fields and quadrupolar electrode configuration are needed to create a rotating electric field for electrorotation. In this study, we demonstrate a simple method to rotate dielectrophoretically trapped microparticles using a stationary AC electric field. Coplanar interdigitated electrodes are used to create a linearly polarized nonuniform AC electric field. This nonuniform electric field is employed for dielectrophoretic trapping of microparticles as well as for generating electroosmotic flow in the vicinity of the electrodes resulting in rotation of microparticles in a microfluidic device. The rotation of barium titanate microparticles is observed in 2-propanol and methanol solvent at a frequency below 1 kHz. A particle rotation rate as high as 240 revolutions per minute is observed. It is demonstrated that precise manipulation (both rotation rate and equilibrium position) of the particles is possible by controlling the frequency of the applied electric field. At low frequency range, the equilibrium positions of the microparticles are observed between the electrode edge and electrode center. This method of particle manipulation is different from electrorotation as it uses induced AC electroosmosis instead of electric torque as in the case of electrorotation. Moreover, it has been shown that a microparticle can be rotated along its own axis without any translational motion. PMID:27014394

Combined AC electroosmosis and dielectrophoresis for controlled rotation of microparticles.

PubMed

Walid Rezanoor, Md; Dutta, Prashanta

2016-03-01

Electrorotation is widely used for characterization of biological cells and materials using a rotating electric field. Generally, multiphase AC electric fields and quadrupolar electrode configuration are needed to create a rotating electric field for electrorotation. In this study, we demonstrate a simple method to rotate dielectrophoretically trapped microparticles using a stationary AC electric field. Coplanar interdigitated electrodes are used to create a linearly polarized nonuniform AC electric field. This nonuniform electric field is employed for dielectrophoretic trapping of microparticles as well as for generating electroosmotic flow in the vicinity of the electrodes resulting in rotation of microparticles in a microfluidic device. The rotation of barium titanate microparticles is observed in 2-propanol and methanol solvent at a frequency below 1 kHz. A particle rotation rate as high as 240 revolutions per minute is observed. It is demonstrated that precise manipulation (both rotation rate and equilibrium position) of the particles is possible by controlling the frequency of the applied electric field. At low frequency range, the equilibrium positions of the microparticles are observed between the electrode edge and electrode center. This method of particle manipulation is different from electrorotation as it uses induced AC electroosmosis instead of electric torque as in the case of electrorotation. Moreover, it has been shown that a microparticle can be rotated along its own axis without any translational motion.

A new approach to simulating collisionless dark matter fluids

NASA Astrophysics Data System (ADS)

Hahn, Oliver; Abel, Tom; Kaehler, Ralf

2013-09-01

Recently, we have shown how current cosmological N-body codes already follow the fine grained phase-space information of the dark matter fluid. Using a tetrahedral tessellation of the three-dimensional manifold that describes perfectly cold fluids in six-dimensional phase space, the phase-space distribution function can be followed throughout the simulation. This allows one to project the distribution function into configuration space to obtain highly accurate densities, velocities and velocity dispersions. Here, we exploit this technique to show first steps on how to devise an improved particle-mesh technique. At its heart, the new method thus relies on a piecewise linear approximation of the phase-space distribution function rather than the usual particle discretization. We use pseudo-particles that approximate the masses of the tetrahedral cells up to quadrupolar order as the locations for cloud-in-cell (CIC) deposit instead of the particle locations themselves as in standard CIC deposit. We demonstrate that this modification already gives much improved stability and more accurate dynamics of the collisionless dark matter fluid at high force and low mass resolution. We demonstrate the validity and advantages of this method with various test problems as well as hot/warm dark matter simulations which have been known to exhibit artificial fragmentation. This completely unphysical behaviour is much reduced in the new approach. The current limitations of our approach are discussed in detail and future improvements are outlined.

Non-Spherical Source-Surface Model of the Corona and Heliosphere for a Quadrupolar Main Field of the Sun

NASA Astrophysics Data System (ADS)

Schulz, M.

2008-05-01

Different methods of modeling the coronal and heliospheric magnetic field are conveniently visualized and intercompared by applying them to ideally axisymmetric field models. Thus, for example, a dipolar main B field with its moment parallel to the Sun's rotation axis leads to a flat heliospheric current sheet. More general solar main B fields (still axisymmetric about the solar rotation axis for simplicity) typically lead to cone-shaped current sheets beyond the source surface (and presumably also in MHD models). As in the dipolar case [Schulz et al., Solar Phys., 60, 83-104, 1978], such conical current sheets can be made realistically thin by taking the source surface to be non-spherical in a way that reflects the underlying structure of the Sun's main B field. A source surface that seems to work well in this respect [Schulz, Ann. Geophysicae, 15, 1379-1387, 1997] is a surface of constant F = (1/r)kB, where B is the scalar strength of the Sun's main magnetic field and k (~ 1.4) is a shape parameter. This construction tends to flatten the source surface in regions where B is relatively weak. Thus, for example, the source surface for a dipolar B field is shaped somewhat like a Rugby football, whereas the source surface for an axisymmetric quadrupolar B field is similarly elongated but somewhat flattened (as if stuffed into a pair of co-axial cones) at mid-latitudes. A linear combination of co-axial dipolar and quadrupolar B fields generates a somewhat apple-shaped source surface. If the region surrounded by the source surface is regarded as current-free, then the source surface itself should be (as nearly as possible) an equipotential surface for the corresponding magnetic scalar potential (expanded, for example, in spherical harmonics). More generally, the mean-square tangential component of the coronal magnetic field over the source surface should be minimized with respect to any adjustable parameters of the field model. The solar wind should then flow not quite radially, but rather in a straight line along the outward normal to the source surface, and the heliospheric B field should follow a corresponding generalization of Parker's spiral [Levine et al., Solar Phys., 77, 363-392, 1982]. In this work the above program is implemented for a Sun with an axisymmetric but purely quadrupolar main magnetic field. Two heliospheric current sheets emanate from circular neutral lines at mid-latitudes on the corresponding source surface. However, because the source surface is relatively flattened in regions where these neutral lines appear, the radial component of the heliospheric B field at r ~ 1 AU and beyond is much more nearly latitude-independent in absolute value than one would expect from a model based on a spherical source surface.

Theoretical Design of a Depolarized Interferometric Fiber-Optic Gyroscope (IFOG) on SMF-28 Single-Mode Standard Optical Fiber Based on Closed-Loop Sinusoidal Phase Modulation with Serrodyne Feedback Phase Modulation Using Simulation Tools for Tactical and Industrial Grade Applications

PubMed Central

Pérez, Ramón José; Álvarez, Ignacio; Enguita, José María

2016-01-01

This article presents, by means of computational simulation tools, a full analysis and design of an Interferometric Fiber-Optic Gyroscope (IFOG) prototype based on a closed-loop configuration with sinusoidal bias phase- modulation. The complete design of the different blocks, optical and electronic, is presented, including some novelties as the sinusoidal bias phase-modulation and the use of an integrator to generate the serrodyne phase-modulation signal. The paper includes detailed calculation of most parameter values, and the plots of the resulting signals obtained from simulation tools. The design is focused in the use of a standard single-mode optical fiber, allowing a cost competitive implementation compared to commercial IFOG, at the expense of reduced sensitivity. The design contains an IFOG model that accomplishes tactical and industrial grade applications (sensitivity ≤ 0.055 °/h). This design presents two important properties: (1) an optical subsystem with advanced conception: depolarization of the optical wave by means of Lyot depolarizers, which allows to use a sensing coil made by standard optical fiber, instead by polarization maintaining fiber, which supposes consequent cost savings and (2) a novel and simple electronic design that incorporates a linear analog integrator with reset in feedback chain, this integrator generating a serrodyne voltage-wave to apply to Phase-Modulator (PM), so that it will be obtained the interferometric phase cancellation. This particular feedback design with sawtooth-wave generated signal for a closed-loop configuration with sinusoidal bias phase modulation has not been reported till now in the scientific literature and supposes a considerable simplification with regard to previous designs based on similar configurations. The sensing coil consists of an 8 cm average diameter spool that contains 300 m of standard single-mode optical-fiber (SMF-28 type) realized by quadrupolar winding. The working wavelength will be 1310 nm. The theoretical calculated values of threshold sensitivity and dynamic range for this prototype are 0.052 °/h and 101.38 dB (from ±1.164 × 10−5 °/s up to ±78.19 °/s), respectively. The Scale-Factor (SF) non-linearity for this model is 5.404% relative to full scale, this value being obtained from data simulation results. PMID:27128924

Theoretical Design of a Depolarized Interferometric Fiber-Optic Gyroscope (IFOG) on SMF-28 Single-Mode Standard Optical Fiber Based on Closed-Loop Sinusoidal Phase Modulation with Serrodyne Feedback Phase Modulation Using Simulation Tools for Tactical and Industrial Grade Applications.

PubMed

Pérez, Ramón José; Álvarez, Ignacio; Enguita, José María

2016-04-27

This article presents, by means of computational simulation tools, a full analysis and design of an Interferometric Fiber-Optic Gyroscope (IFOG) prototype based on a closed-loop configuration with sinusoidal bias phase- modulation. The complete design of the different blocks, optical and electronic, is presented, including some novelties as the sinusoidal bias phase-modulation and the use of an integrator to generate the serrodyne phase-modulation signal. The paper includes detailed calculation of most parameter values, and the plots of the resulting signals obtained from simulation tools. The design is focused in the use of a standard single-mode optical fiber, allowing a cost competitive implementation compared to commercial IFOG, at the expense of reduced sensitivity. The design contains an IFOG model that accomplishes tactical and industrial grade applications (sensitivity ≤ 0.055 °/h). This design presents two important properties: (1) an optical subsystem with advanced conception: depolarization of the optical wave by means of Lyot depolarizers, which allows to use a sensing coil made by standard optical fiber, instead by polarization maintaining fiber, which supposes consequent cost savings and (2) a novel and simple electronic design that incorporates a linear analog integrator with reset in feedback chain, this integrator generating a serrodyne voltage-wave to apply to Phase-Modulator (PM), so that it will be obtained the interferometric phase cancellation. This particular feedback design with sawtooth-wave generated signal for a closed-loop configuration with sinusoidal bias phase modulation has not been reported till now in the scientific literature and supposes a considerable simplification with regard to previous designs based on similar configurations. The sensing coil consists of an 8 cm average diameter spool that contains 300 m of standard single-mode optical-fiber (SMF-28 type) realized by quadrupolar winding. The working wavelength will be 1310 nm. The theoretical calculated values of threshold sensitivity and dynamic range for this prototype are 0.052 °/h and 101.38 dB (from ±1.164 × 10(-5) °/s up to ±78.19 °/s), respectively. The Scale-Factor (SF) non-linearity for this model is 5.404% relative to full scale, this value being obtained from data simulation results.

A cryostatic, fast scanning, wideband NQR spectrometer for the VHF range

NASA Astrophysics Data System (ADS)

Scharfetter, Hermann; Bödenler, Markus; Narnhofer, Dominik

2018-01-01

In the search for a novel MRI contrast agent which relies on T1 shortening due to quadrupolar interaction between Bi nuclei and protons, a fast scanning wideband system for zero-field nuclear quadrupole resonance (NQR) spectroscopy is required. Established NQR probeheads with motor-driven tune/match stages are usually bulky and slow, which can be prohibitive if it comes to Bi compounds with low SNR (excessive averaging) and long quadrupolar T1 times. Moreover many experiments yield better results at low temperatures such as 77 K (liquid nitrogen, LN) thus requiring easy to use cryo-probeheads. In this paper we present electronically tuned wideband probeheads for bands in the frequency range 20-120 MHz which can be immersed in LN and which enable very fast explorative scans over the whole range. To this end we apply an interleaved subspectrum sampling strategy (ISS) which relies on the electronic tuning capability. The superiority of the new concept is demonstrated with an experimental scan of triphenylbismuth from 24 to 116 MHz, both at room temperature and in LN. Especially for the first transition which exhibits extremely long T1 times (64 ms) the and low signal the new approach allows an acceleration factor by more than 100 when compared to classical methods.

Fano-like resonance emerging from magnetic and electric plasmon mode coupling in small arrays of gold particles

DOE PAGES

Bakhti, Saïd; Tishchenko, Alexandre V.; Zambrana-Puyalto, Xavier; ...

2016-09-01

In this work we theoretically and experimentally analyze the resonant behavior of individual 3 × 3 gold particle oligomers illuminated under normal and oblique incidence. While this structure hosts both dipolar and quadrupolar electric and magnetic delocalized modes, only dipolar electric and quadrupolar magnetic modes remain at normal incidence. These modes couple into a strongly asymmetric spectral response typical of a Fano-like resonance. In the basis of the coupled mode theory, an analytical representation of the optical extinction in terms of singular functions is used to identify the hybrid modes emerging from the electric and magnetic mode coupling and tomore » interpret the asymmetric line profiles. Especially, we demonstrate that the characteristic Fano line shape results from the spectral interference of a broad hybrid mode with a sharp one. This structure presents a special feature in which the electric field intensity is confined on different lines of the oligomer depending on the illumination wavelength relative to the Fano dip. This Fano-type resonance is experimentally observed performing extinction cross section measurements on arrays of gold nano-disks. The vanishing of the Fano dip when increasing the incidence angle is also experimentally observed in accordance with numerical simulations.« less

Investigation of the coupling of the momentum distribution of a BEC with its collective of modes

NASA Astrophysics Data System (ADS)

Henn, Emanuel; Tavares, Pedro; Fritsch, Amilson; Vivanco, Franklin; Telles, Gustavo; Bagnato, Vanderlei

In our group we have a strong research line on quantum turbulence and the general investigation of Bose-Einstein condensates (BEC) subjected to oscillatory excitations. Inside this research line we investigate first the behavior of the normal modes of the BEC under this excitation and observe a non-linear behavior in the amplitude of the quadrupolar mode. Also, inside this same procedure of investigation we study the momentum distribution of a BEC to understand if it is possible to extract Kolmogorov like excitation spectra which would point to a turbulent state of matter. The condensate is perturbed, and we let it evolve in-trap after which we perform standard time-of- flight absorption imaging. The momentum distribution is extracted and analyzed as a function of the in-trap free evolution time for a 2D projected cloud. We show that the momentum distribution has its features varying periodically with the same frequency as the quadrupolar mode displayed by the atomic gas hinting at a strong coupling of both. The main consequence of that one cannot be assertive about the quantitative features of the extract spectrum of momentum and we can only rely on its qualitative features. Financial Support: FAPESP, CNPq.

Ab Initio Molecular Dynamics Simulations and GIPAW NMR Calculations of a Lithium Borate Glass Melt.

PubMed

Ohkubo, Takahiro; Tsuchida, Eiji; Takahashi, Takafumi; Iwadate, Yasuhiko

2016-04-14

The atomic structure of a molten 0.3Li2O-0.7B2O3 glass at 1250 K was investigated using ab initio molecular dynamics (AIMD) simulations. The gauge including projector augmented wave (GIPAW) method was then employed for computing the chemical shift and quadrupolar coupling constant of (11)B, (17)O, and (7)Li from 764 AIMD derived structures. The chemical shift and quadrupolar coupling constant distributions were directly estimated from the dynamical structure of the molten glass. (11)B NMR parameters of well-known structural units such as the three-coordinated ring, nonring, and four-coordinated tetrahedron were found to be in good agreement with the experimental results. In this study, more detailed classification of B units was presented based on the number of O species bonded to the B atoms. This highlights the limitations of (11)B NMR sensitivity for resolving (11)B local environment using the experimentally obtained spectra only. The (17)O NMR parameter distributions can theoretically resolve the bridging and nonbridging O atoms with different structural units such as nonring, single boroxol ring, and double boroxol ring. Slight but clear differences in the number of bridging O atoms surrounding Li that have not been reported experimentally were observed in the theoretically obtained (7)Li NMR parameters.

Understanding the quadrupolar structures of UPd3

NASA Astrophysics Data System (ADS)

McEwen, K. A.; Walker, H. C.; Le, M. D.; McMorrow, D. F.; Colineau, E.; Wastin, F.; Wilkins, S. B.; Park, J.-G.; Bewley, R. I.; Fort, D.

2007-03-01

UPd3 exhibits four phase transitions below T0=7.8 K, attributed to a succession of antiferroquadrupolar (AFQ) orderings of the 5f2 uranium ions localised on the quasi-cubic sites of the dhcp crystal structure. From earlier polarised neutron diffraction measurements in a magnetic field, we proposed that the order parameter of the phase below T0 is Q and a model for the order parameters of the four phases was subsequently developed. This model has now been tested experimentally with measurements of the azimuthal dependence of the intensities of the quadrupolar reflections in the different phases, by means of X-ray resonant scattering (XRS) studies at ESRF. The results indicate that the order parameter, in zero field, of the phase below T0 is Qzx. Our model provides an explanation for these apparently contradictory results. New measurements of the heat capacity of UPd3 at low temperatures have revealed the entropy changes at each of the four transitions. We find that the entropy changes ( ΔS) at T0 and T+1=6.9 K are minimal, whereas ΔS is large at T-1=6.7 K. From this information together with the new XRS results, we have extended our model to provide an explanation of the AFQ structures of UPd3.

Reconstruction of a Large-scale Pre-flare Coronal Current Sheet Associated with a Homologous X-shaped Flare

NASA Astrophysics Data System (ADS)

Jiang, Chaowei; Yan, Xiaoli; Feng, Xueshang; Duan, Aiying; Hu, Qiang; Zuo, Pingbing; Wang, Yi

2017-11-01

As a fundamental magnetic structure in the solar corona, electric current sheets (CSs) can form either prior to or during a solar flare, and they are essential for magnetic energy dissipation in the solar corona because they enable magnetic reconnection. However, the static reconstruction of a CS is rare, possibly due to limitations that are inherent in the available coronal field extrapolation codes. Here we present the reconstruction of a large-scale pre-flare CS in solar active region 11967 using an MHD-relaxation model constrained by the SDO/HMI vector magnetogram. The CS is associated with a set of peculiar homologous flares that exhibit unique X-shaped ribbons and loops occurring in a quadrupolar magnetic configuration.This is evidenced by an ’X’ shape, formed from the field lines traced from the CS to the photosphere. This nearly reproduces the shape of the observed flare ribbons, suggesting that the flare is a product of the dissipation of the CS via reconnection. The CS forms in a hyperbolic flux tube, which is an intersection of two quasi-separatrix layers. The recurrence of the X-shaped flares might be attributed to the repetitive formation and dissipation of the CS, as driven by the photospheric footpoint motions. These results demonstrate the power of a data-constrained MHD model in reproducing a CS in the corona as well as providing insight into the magnetic mechanism of solar flares.

Quantum information processing with trapped electrons and superconducting electronics (Open Access, Publisher’s Version)

DTIC Science & Technology

2013-07-05

This content has been downloaded from IOPscience. Please scroll down to see the full text. Download details: IP Address: 198.81.129.186 This content...structures with a quadratic nonlinearity, i.e. electrodes with a quadrupolar potential. The pump for this parametric coupling process is a classical...approximation. The system operates as a parametric frequency converter, with the classical drive providing pump photons which allow coherent coupling between

Nuclear magnetic resonance of Al-27 in topaz, Al2SiO4/F, OH/2.

NASA Technical Reports Server (NTRS)

Tsang, T.; Ghose, S.

1972-01-01

The Al-27 nuclear quadrupolar coupling constant and asymmetry parameter (eta) in topaz have been determined to be 1.67 (plus or minus 0.03) MHz and 0.38 plus or minus 0.05, respectively. These values and the orientations of the principal axes are consistent with the Fe(3+) paramagnetic resonance data and with the symmetry of the AlO4F2 octahedron.

Determination of deuteron quadrupole moment from calculations of the electric field gradient in D{sub 2} and HD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pavanello, Michele; Tung Weicheng; Adamowicz, Ludwik

2010-04-15

We have carried out an accurate determination of the quadrupole moment of the deuteron nucleus. The evaluation of the constant is achieved by combining high accuracy Born-Oppenheimer calculations of the electric field gradient at the nucleus in the H{sub 2} molecule with spectroscopic measurements of the quadrupolar splitting in D{sub 2} and HD. The derived value is Q=0.285783(30) fm{sup 2}.

Non-Fermi liquid and heavy fermion behavior in CexLa1-xB6 with quadrupolar moments

NASA Astrophysics Data System (ADS)

Nakamura, Shintaro; Yamamoto, Harufumi; Endo, Motoki; Aoki, Haruyoshi; Kimura, Noriaki; Nojima, Tsutomu; Kunii, Satoru

2006-05-01

The electrical resistivity of the cubic Kondo system CexLa1-xB6 ( x=0.1-0.65) has been measured. Non-Fermi liquid behavior is found in paramagnetic phase I over the wide Ce concentration range. Heavy fermion behavior is found in ordered phases of Ce0.65La0.35B6. The mass enhancement of quasiparticles in this compound is strongly dependent of the magnetic field.

Metastability in the Spin-1 Blume-Emery-Griffiths Model within Constant Coupling Approximation

NASA Astrophysics Data System (ADS)

Ekiz, C.

2017-02-01

In this paper, the equilibrium properties of spin-1 Blume-Emery-Griffiths model are studied by using constant-coupling approximation. The dipolar and quadrupolar order parameters, the stable, metastable and unstable states and free energy of the model are investigated. The states are defined in terms of local minima of the free energy of system. The numerical calculations are presented for several values of exchange interactions on the simple cubic lattice with q = 6.

Angular dependence of primordial trispectra and CMB spectral distortions

NASA Astrophysics Data System (ADS)

Shiraishi, Maresuke; Bartolo, Nicola; Liguori, Michele

2016-10-01

Under the presence of anisotropic sources in the inflationary era, the trispectrum of the primordial curvature perturbation has a very specific angular dependence between each wavevector that is distinguishable from the one encountered when only scalar fields are present, characterized by an angular dependence described by Legendre polynomials. We examine the imprints left by curvature trispectra on the TTμ bispectrum, generated by the correlation between temperature anisotropies (T) and chemical potential spectral distortions (μ) of the Cosmic Microwave Background (CMB). Due to the angular dependence of the primordial signal, the corresponding TTμ bispectrum strongly differs in shape from TTμ sourced by the usual gNL or τNL local trispectra, enabling us to obtain an unbiased estimation. From a Fisher matrix analysis, we find that, in a cosmic-variance-limited (CVL) survey of TTμ, a minimum detectable value of the quadrupolar Legendre coefficient is d2 ~ 0.01, which is 4 orders of magnitude better than the best value attainable from the TTTT CMB trispectrum. In the case of an anisotropic inflationary model with a f(phi)F2 interaction (coupling the inflaton field phi with a vector kinetic term F2), the size of the curvature trispectrum is related to that of quadrupolar power spectrum asymmetry, g*. In this case, a CVL measurement of TTμ makes it possible to measure g* down to 10-3.

Investigating the Vanadium Environments in Hydroxylamido V(V) Dipicolinate Complexes Using 51V NMR Spectroscopy and Density Functional Theory

PubMed Central

Ooms, Kristopher J.; Bolte, Stephanie E.; Smee, Jason J.; Baruah, Bharat; Crans, Debbie C.; Polenova, Tatyana

2014-01-01

Using 51V magic angle spinning solid-state NMR, SSNMR, spectroscopy and quantum chemical DFT calculations we have characterized the chemical shift and quadrupolar coupling parameters of a series of 8 hydroxylamido vanadium(V) dipicolinate complexes of the general formula VO(dipic)(ONR1R2)(H2O) where R1 and R2 can be H, CH3, or CH2CH3. This class of vanadium compounds was chosen for investigation because of their seven coordinate vanadium atom, a geometry for which there is limited 51V SSNMR data. Furthermore, a systematic series of compounds with different electronic properties are available and allows for the effects of ligand substitution on the NMR parameters to be studied. The quadrupolar coupling constants, CQ, are small, 3.0 to 3.9 MHz, but exhibit variations as a function of the ligand substitution. The chemical shift tensors in the solid state are sensitive to changes in both the hydroxylamide substituent and the dipic ligand, a sensitivity which is not observed for isotropic chemical shifts in solution. The chemical shift tensors span approximately 1000 ppm, and are nearly axially symmetric. Based on DFT calculations of the chemical shift tensors, one of the largest contributors to the magnetic shielding anisotropy is an occupied molecular orbital with significant vanadium dz2 character along the V=O bond. PMID:17902653

Super-Alfvenic Propagation and Damping of Reconnection Onset Signatures

NASA Astrophysics Data System (ADS)

Sharma, P.; Shay, M. A.; Haggerty, C. C.; Parashar, T.; Drake, J. F.; Gary, S. P.

2016-12-01

The onset of magnetic reconnection in the magnetotail has far reaching consequences for the dynamics of the magnetosphere. However, our understanding of the dynamics of onset as well as when and where it occurs in the magnetosphere is incomplete. One of the fastest propagating signatures of reconnection onset is the quadrupolar Hall magnetic field that has been shown to be a Kinetic Alfven Wave (KAW) . These KAW propagate extremely fast away from the reconnection site, carry substantial amounts of energy in the form of Poynting flux and electron flows, and may be responsible for electron acceleration and the generation of aurora[1]. However, to date there has not been a study of how reconnection generated KAWs will damp and disperse as they propagate. Using large scale kinetic particle-in-cell (PIC) simulations of reconnection we investigate the damping of the KAWs as they propagate away from the x-line. We show that the hall quadrupolar structure dissipates according to linear Landau damping determined from a numerical solution of the linear Vlasov equation. Extending results to magnetotail parameters, we find that only the part of the wave with k c/wpi 1 will damp weakly enough to propagate from the mid-tail to the inner magnetosphere. [1] M. A. Shay et al., PRL, 107, 065001, 2011, DOI: 10.1103/PhysRevLett.107.065001

An instrument for measuring the complex permittivity of the Martian top soil

NASA Technical Reports Server (NTRS)

Grard, R.

1988-01-01

This permittivity measuring instrument measures the resistivity rho and the relative dielectric constant epsilon sub r of the Martian top soil along the path of a rover. This aim is achieved by measuring the real and imaginary parts of the complex permittivity epsilon = epsilon sub r - j epsilon sub i where epsilon sub i = omega epsilon sub o rho/1; epsilon sub 1 is the permittivity of vacuum and omega is a variable angular working frequency. The experimental technique consists in evaluating the mutual, or transfer, impedance of a quadrupolar probe, i.e., in quantifying the influence of the Martian ground on the electrical coupling of two Hertz dipoles. The horizontal and vertical spatial resolutions are of the order of the length and separation of the dipoles, typically 1 to 2 metres. The four-electrode method for measuring the ground resistivity on earth was first applied by Wenner and Schlumberger, but the proposed investigation bears closer resemblance to a similar instrument developed for ground surveying at shallow depth, in connection with archaelogical and pedological research. A quadrupolar probe will provide essential information about the electric properties of the Martian ground and will contribute usefully to the identification of the soil structure and composition in association with other experimental equipment (camera, infra-red detector, gamma and X-ray spectrometers, chemical analyzers, ground temperature probes).

Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy

NASA Astrophysics Data System (ADS)

Beerwerth, J.; Storek, M.; Greim, D.; Lueg, J.; Siegel, R.; Cetinkaya, B.; Hiller, W.; Zimmermann, H.; Senker, J.; Böhmer, R.

2018-03-01

Polycrystalline dimethyl sulfone is studied using central-transition oxygen-17 exchange NMR. The quadrupolar and chemical shift tensors are determined by combining quantum chemical calculations with line shape analyses of rigid-lattice spectra measured for stationary and rotating samples at several external magnetic fields. Quantum chemical computations predict that the largest principal axes of the chemical shift anisotropy and electrical field gradient tensors enclose an angle of about 73°. This prediction is successfully tested by comparison with absorption spectra recorded at three different external magnetic fields. The experimental one-dimensional motionally narrowed spectra and the two-dimensional exchange spectrum are compatible with model calculations involving jumps of the molecules about their two-fold symmetry axis. This motion is additionally investigated by means of two-time stimulated-echo spectroscopy which allows for a determination of motional correlation functions over a wider temperature range than previously reported using carbon and deuteron NMR. On the basis of suitable second-order quadrupolar frequency distributions, sin-sin stimulated-echo amplitudes are calculated for a two-site model in the limit of vanishing evolution time and compared with experimental findings. The present study thus establishes oxygen-17 NMR as a powerful method that will be particularly useful for the study of solids and liquids devoid of nuclei governed by first-order anisotropies.

Magnetic and quadrupolar studies of the iron storage overload in livers

NASA Astrophysics Data System (ADS)

Rimbert, J. N.; Dumas, F.; Richardot, G.; Kellershohn, C.

1986-02-01

Absorption57Fe Mössbauer spectra, performed directly on tissues of liver with iron overload due to an excessive intestinal iron absorption or induced by hypertransfusional therapeutics, have pointed out a new high spin ferric storage iron besides the ferritin and hemosiderin. Mössbauer studies, carried out on ferritin and hemosiderin fractions isolated from normal and overloaded livers, show that this compound, only present in the secondary iron overload (transfusional pathway), seems characteristic of the physiological process which induces the iron overload.

Long-wavelength instabilities in a system of interacting active particles

NASA Astrophysics Data System (ADS)

Fazli, Zahra; Najafi, Ali

2018-02-01

Based on a microscopic model, we develop a continuum description for a suspension of microscopic self-propelled particles. With this continuum description we study the role of long-range interactions in destabilizing macroscopic ordered phases that are developed by short-range interactions. Long-wavelength fluctuations can destabilize both isotropic and symmetry-broken polar phases in a suspension of dipolar particles. The instabilities in a suspension of pullers (pushers) arise from splay (bend) fluctuations. Such instabilities are not seen in a suspension of quadrupolar particles.

An Investigation of the Sources of Earth-directed Solar Wind during Carrington Rotation 2053

NASA Astrophysics Data System (ADS)

Fazakerley, A. N.; Harra, L. K.; van Driel-Gesztelyi, L.

2016-06-01

In this work we analyze multiple sources of solar wind through a full Carrington Rotation (CR 2053) by analyzing the solar data through spectroscopic observations of the plasma upflow regions and the in situ data of the wind itself. Following earlier authors, we link solar and in situ observations by a combination of ballistic backmapping and potential-field source-surface modeling. We find three sources of fast solar wind that are low-latitude coronal holes. The coronal holes do not produce a steady fast wind, but rather a wind with rapid fluctuations. The coronal spectroscopic data from Hinode’s Extreme Ultraviolet Imaging Spectrometer show a mixture of upflow and downflow regions highlighting the complexity of the coronal hole, with the upflows being dominant. There is a mix of open and multi-scale closed magnetic fields in this region whose (interchange) reconnections are consistent with the up- and downflows they generate being viewed through an optically thin corona, and with the strahl directions and freeze-in temperatures found in in situ data. At the boundary of slow and fast wind streams there are three short periods of enhanced-velocity solar wind, which we term intermediate based on their in situ characteristics. These are related to active regions that are located beside coronal holes. The active regions have different magnetic configurations, from bipolar through tripolar to quadrupolar, and we discuss the mechanisms to produce this intermediate wind, and the important role that the open field of coronal holes adjacent to closed-field active regions plays in the process.

{sup 45}Sc Solid State NMR studies of the silicides ScTSi (T=Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harmening, Thomas; Eckert, Hellmut, E-mail: eckerth@uni-muenster.de; Fehse, Constanze M.

The silicides ScTSi (T=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt) were synthesized by arc-melting and characterized by X-ray powder diffraction. The structures of ScCoSi, ScRuSi, ScPdSi, and ScIrSi were refined from single crystal diffractometer data. These silicides crystallize with the TiNiSi type, space group Pnma. No systematic influences of the {sup 45}Sc isotropic magnetic shift and nuclear electric quadrupolar coupling parameters on various structural distortion parameters calculated from the crystal structure data can be detected. {sup 45}Sc MAS-NMR data suggest systematic trends in the local electronic structure probed by the scandium atoms: both the electric field gradients andmore » the isotropic magnetic shifts relative to a 0.2 M aqueous Sc(NO{sub 3}){sub 3} solution decrease with increasing valence electron concentration and within each T group the isotropic magnetic shift decreases monotonically with increasing atomic number. The {sup 45}Sc nuclear electric quadrupolar coupling constants are generally well reproduced by quantum mechanical electric field gradient calculations using the WIEN2k code. Highlights: Black-Right-Pointing-Pointer Arc-melting synthesis of silicides ScTSi. Black-Right-Pointing-Pointer Single crystal X-ray data of ScCoSi, ScRuSi, ScPdSi, and ScIrSi. Black-Right-Pointing-Pointer {sup 45}Sc solid state NMR of silicides ScTSi.« less

SU(2) slave-boson formulation of spin nematic states in S=(1)/(2) frustrated ferromagnets

NASA Astrophysics Data System (ADS)

Shindou, Ryuichi; Momoi, Tsutomu

2009-08-01

An SU(2) slave-boson formulation of bond-type spin nematic orders is developed in frustrated ferromagnets, where the spin nematic states are described as the resonating spin-triplet valence bond (RVB) states. The d vectors of spin-triplet pairing ansatzes play the role of the directors in the bond-type spin-quadrupolar states. The low-energy excitations around such spin-triplet RVB ansatzes generally comprise the (potentially massless) gauge bosons, massless Goldstone bosons, and spinon individual excitations. Extending the projective symmetry-group argument to the spin-triplet ansatzes, we show how to identify the number of massless gauge bosons efficiently. Applying this formulation, we next (i) enumerate possible mean-field solutions for the S=(1)/(2) ferromagnetic J1-J2 Heisenberg model on the square lattice, with ferromagnetic nearest neighbor J1 and competing antiferromagnetic next-nearest neighbor J2 and (ii) argue their stability against small gauge fluctuations. As a result, two stable spin-triplet RVB ansatzes are found in the intermediate coupling regime around J1:J2≃1:0.4 . One is the Z2 Balian-Werthamer (BW) state stabilized by the Higgs mechanism and the other is the SU(2) chiral p -wave (Anderson-Brinkman-Morel) state stabilized by the Chern-Simon mechanism. The former Z2 BW state in fact shows the same bond-type spin-quadrupolar order as found in the previous exact diagonalization study [Shannon , Phys. Rev. Lett. 96, 027213 (2006)].

Angular dependence of primordial trispectra and CMB spectral distortions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shiraishi, Maresuke; Bartolo, Nicola; Liguori, Michele, E-mail: maresuke.shiraishi@ipmu.jp, E-mail: nicola.bartolo@pd.infn.it, E-mail: michele.liguori@pd.infn.it

2016-10-01

Under the presence of anisotropic sources in the inflationary era, the trispectrum of the primordial curvature perturbation has a very specific angular dependence between each wavevector that is distinguishable from the one encountered when only scalar fields are present, characterized by an angular dependence described by Legendre polynomials. We examine the imprints left by curvature trispectra on the TT μ bispectrum, generated by the correlation between temperature anisotropies (T) and chemical potential spectral distortions (μ) of the Cosmic Microwave Background (CMB). Due to the angular dependence of the primordial signal, the corresponding TT μ bispectrum strongly differs in shape frommore » TT μ sourced by the usual g {sub NL} or τ{sub NL} local trispectra, enabling us to obtain an unbiased estimation. From a Fisher matrix analysis, we find that, in a cosmic-variance-limited (CVL) survey of TT μ, a minimum detectable value of the quadrupolar Legendre coefficient is d {sub 2} ∼ 0.01, which is 4 orders of magnitude better than the best value attainable from the TTTT CMB trispectrum. In the case of an anisotropic inflationary model with a f (φ) F {sup 2} interaction (coupling the inflaton field φ with a vector kinetic term F {sup 2}), the size of the curvature trispectrum is related to that of quadrupolar power spectrum asymmetry, g {sub *}. In this case, a CVL measurement of TT μ makes it possible to measure g {sub *} down to 10{sup −3}.« less

Powder-XRD and (14) N magic angle-spinning solid-state NMR spectroscopy of some metal nitrides.

PubMed

Kempgens, Pierre; Britton, Jonathan

2016-05-01

Some metal nitrides (TiN, ZrN, InN, GaN, Ca3 N2 , Mg3 N2 , and Ge3 N4 ) have been studied by powder X-ray diffraction (XRD) and (14) N magic angle-spinning (MAS) solid-state NMR spectroscopy. For Ca3 N2 , Mg3 N2 , and Ge3 N4 , no (14) N NMR signal was observed. Low speed (νr  = 2 kHz for TiN, ZrN, and GaN; νr  = 1 kHz for InN) and 'high speed' (νr  = 15 kHz for TiN; νr  = 5 kHz for ZrN; νr  = 10 kHz for InN and GaN) MAS NMR experiments were performed. For TiN, ZrN, InN, and GaN, powder-XRD was used to identify the phases present in each sample. The number of peaks observed for each sample in their (14) N MAS solid-state NMR spectrum matches perfectly well with the number of nitrogen-containing phases identified by powder-XRD. The (14) N MAS solid-state NMR spectra are symmetric and dominated by the quadrupolar interaction. The envelopes of the spinning sidebands manifold are Lorentzian, and it is concluded that there is a distribution of the quadrupolar coupling constants Qcc 's arising from structural defects in the compounds studied. Copyright © 2015 John Wiley & Sons, Ltd.

A systematic study of 25Mg NMR in paramagnetic transition metal oxides: applications to Mg-ion battery materials.

PubMed

Lee, Jeongjae; Seymour, Ieuan D; Pell, Andrew J; Dutton, Siân E; Grey, Clare P

2016-12-21

Rechargeable battery systems based on Mg-ion chemistries are generating significant interest as potential alternatives to Li-ion batteries. Despite the wealth of local structural information that could potentially be gained from Nuclear Magnetic Resonance (NMR) experiments of Mg-ion battery materials, systematic 25 Mg solid-state NMR studies have been scarce due to the low natural abundance, low gyromagnetic ratio, and significant quadrupole moment of 25 Mg (I = 5/2). This work reports a combined experimental 25 Mg NMR and first principles density functional theory (DFT) study of paramagnetic Mg transition metal oxide systems Mg 6 MnO 8 and MgCr 2 O 4 that serve as model systems for Mg-ion battery cathode materials. Magnetic parameters, hyperfine shifts and quadrupolar parameters were calculated ab initio using hybrid DFT and compared to the experimental values obtained from NMR and magnetic measurements. We show that the rotor assisted population transfer (RAPT) pulse sequence can be used to enhance the signal-to-noise ratio in paramagnetic 25 Mg spectra without distortions in the spinning sideband manifold. In addition, the value of the predicted quadrupolar coupling constant of Mg 6 MnO 8 was confirmed using the RAPT pulse sequence. We further apply the same methodology to study the NMR spectra of spinel compounds MgV 2 O 4 and MgMn 2 O 4 , candidate cathode materials for Mg-ion batteries.

Quantitative analysis of Earth's field NMR spectra of strongly-coupled heteronuclear systems.

PubMed

Halse, Meghan E; Callaghan, Paul T; Feland, Brett C; Wasylishen, Roderick E

2009-09-01

In the Earth's magnetic field, it is possible to observe spin systems consisting of unlike spins that exhibit strongly coupled second-order NMR spectra. Such spectra result when the J-coupling between two unlike spins is of the same order of magnitude as the difference in their Larmor precession frequencies. Although the analysis of second-order spectra involving only spin-(1/2) nuclei has been discussed since the early days of NMR spectroscopy, NMR spectra involving spin-(1/2) nuclei and quadrupolar (I>(1/2)) nuclei have rarely been treated. Two examples are presented here, the tetrahydroborate anion, BH4-, and the ammonium cation, NH4+. For the tetrahydroborate anion, (1)J((11)B,(1)H)=80.9Hz, and in an Earth's field of 53.3microT, nu((1)H)=2269Hz and nu((11)B)=728Hz. The (1)H NMR spectra exhibit features that both first- and second-order perturbation theory are unable to reproduce. On the other hand, second-order perturbation theory adequately describes (1)H NMR spectra of the ammonium anion, (14)NH4+, where (1)J((14)N,(1)H)=52.75Hz when nu((1)H)=2269Hz and nu((14)N)=164Hz. Contrary to an early report, we find that the (1)H NMR spectra are independent of the sign of (1)J((14)N,(1)H). Exact analysis of two-spin systems consisting of quadrupolar nuclei and spin-(1/2) nuclei are also discussed.

Magnetic field topology and chemical abundance distributions of the young, rapidly rotating, chemically peculiar star HR 5624

NASA Astrophysics Data System (ADS)

Kochukhov, O.; Silvester, J.; Bailey, J. D.; Landstreet, J. D.; Wade, G. A.

2017-09-01

Context. The young, rapidly rotating Bp star HR 5624 (HD 133880) shows an unusually strong non-sinusoidal variability of its longitudinal magnetic field. This behaviour was previously interpreted as the signature of an exceptionally strong, quadrupole-dominated surface magnetic field geometry. Aims: We studied the magnetic field structure and chemical abundance distributions of HR 5624 with the aim to verify the unusual quadrupolar nature of its magnetic field and to investigate correlations between the field topology and chemical spots. Methods: We analysed high-resolution, time series Stokes parameter spectra of HR 5624 with the help of a magnetic Doppler imaging inversion code based on detailed polarised radiative transfer modelling of the line profiles. Results: We refined the stellar parameters, revised the rotational period, and obtained new longitudinal magnetic field measurements. Our magnetic Doppler inversions reveal that the field structure of HR 5624 is considerably simpler and the field strength is much lower than proposed by previous studies. We find a maximum local field strength of 12 kG and a mean field strength of 4 kG, which is about a factor of three weaker than predicted by quadrupolar field models. Our model implies that overall large-scale field topology of HR 5624 is better described as a distorted, asymmetric dipole rather than an axisymmetric quadrupole. The chemical abundance maps of Mg, Si, Ti, Cr, Fe, and Nd obtained in our study are characterised by large-scale, high-contrast abundance patterns. These structures correlate weakly with the magnetic field geometry and, in particular, show no distinct element concentrations in the horizontal field regions predicted by theoretical atomic diffusion calculations. Conclusions: We conclude that the surface magnetic field topology of HR 5624 is not as unusual as previously proposed. Considering these results together with other recent magnetic mapping analyses of early-type stars suggests that predominantly quadrupolar magnetic field topologies, invoked to be present in a significant number of stars, probably do not exist in real stars. This finding agrees with an outcome of the MHD simulations of fossil field evolution in stably stratified stellar interiors. Based on observations collected at the European Southern Observatory, Chile (ESO programs 085.D-0296, 089.D-0383, 095.D-0194) and on observations obtained at the Canada-France-Hawaii Telescope (CFHT) which is operated by the National Research Council of Canada, the Institut National des Science de l'Univers of the Centre National de la Recherche Scientifique of France, and the University of Hawaii.

Mass-selective isolation of ions stored in a quadrupole ion trap. A simulation study

NASA Astrophysics Data System (ADS)

March, Raymond E.; Londry, Frank A.; Alfred, Roland L.; Franklin, Anthony M.; Todd, John F. J.

1992-01-01

Trajectories of single ions stored in the quadrupole ion trap have been calculated using a simulation program described as the specific program for quadrupolar resonance (SPQR). Previously, the program has been used for the investigation of quadrupolar resonance excitation of ions with a static working point (or co-ordinates) in the stability diagram. The program has been modified to accommodate continuous d.c. and/or r.f. voltage ramps so as to permit calculation of ion trajectories while the working point is being changed. The modified program has been applied to the calculation of ion trajectories during ion isolation, or mass-selective storage, in the ion trap. The quadrupolar resonance excitation aspect of SPQR was not used in this study. Trajectories are displayed as temporal variations of ion kinetic energy, and axial and radial excursions from the centre of the ion trap. The working points of three ion species (m/z 144, 146 and 148), located initially on the qz, axis with qz [approximate] 0.12, were moved to the vicinity of the upper apex by a combination of r.f. and d.c. voltages applied in succession. Stable trajectories were maintained only for the ion species of m/z 146 for which the working point lay within this apex; the other ion species were ejected either radially or axially. The d.c. voltage was then reduced to zero so as to restore the working point of the isolated ion species to the qz axis. The amplitude of the r.f voltage was reduced to its initial value so as to retrieve the initial working point for m/z 146. The process extended over a real time of 2.9 ms, and was collision-free. The trajectory of the isolated ion was stable during this process; the ion species with m/z value lower than that of the target ion, that is, m/z 144, was ejected axially at the [beta]z = 1 boundary, while that with higher m/z value, that is, m/z 148, was ejected radially at the [beta]r = 0 boundary, as expected. The moderating effects of buffer gas were not taken into consideration and ion kinetic energies during the sorting period were found to be sufficiently great that dissociative losses may be appreciable in a collisional system. A possible strategy for reducing kinetic energy during this process has been proposed.

A system for NMR stark spectroscopy of quadrupolar nuclei.

PubMed

Tarasek, Matthew R; Kempf, James G

2010-05-13

Electrostatic influences on NMR parameters are well accepted. Experimental and computational routes have been long pursued to understand and utilize such Stark effects. However, existing approaches are largely indirect informants on electric fields, and/or are complicated by multiple causal factors in spectroscopic change. We present a system to directly measure quadrupolar Stark effects from an applied electric (E) field. Our apparatus and applications are relevant in two contexts. Each uses a radiofrequency (rf) E field at twice the nuclear Larmor frequency (2omega(0)). The mechanism is a distortion of the E-field gradient tensor that is linear in the amplitude (E(0)) of the rf E field. The first uses 2omega(0) excitation of double-quantum transitions for times similar to T(1) (the longitudinal spin relaxation time). This perturbs the steady state distribution of spin population. Nonlinear analysis versus E(0) can be used to determine the Stark response rate. The second context uses POWER (perturbations observed with enhanced resolution) NMR. Here, coherent, short-time (

Conical Current Sheets in a Source-Surface Model of the Heliosphere

NASA Astrophysics Data System (ADS)

Schulz, M.

2007-12-01

Different methods of modeling the coronal and heliospheric magnetic field are conveniently visualized and intercompared by applying them to ideally axisymmetric field models. Thus, for example, a dipolar B field with its moment parallel to the Sun's rotation axis leads to a flat heliospheric current sheet. More general solar B fields (still axisymmetric about the solar rotation axis for simplicity) typically lead to cone-shaped current sheets beyond the source surface (and presumably also in MHD models). As in the dipolar case [Schulz et al., Solar Phys., 60, 83-104, 1978], such conical current sheets can be made realistically thin by taking the source surface to be non-spherical in a way that reflects the underlying structure of the Sun's main B field. A source surface that seems to work well in this respect [Schulz, Ann. Geophysicae, 15, 1379-1387, 1997] is a surface of constant F = (1/r)kB, where B is the scalar strength of the Sun's main magnetic field and k (~ 1.4) is a shape parameter. This construction tends to flatten the source surface in regions where B is relatively weak. Thus, for example, the source surface for a dipolar B field is shaped somewhat like a Rugby football, whereas the source surface for an axisymmetric quadrupolar B field is similarly elongated but somewhat flattened (as if stuffed into a cone) at mid-latitudes. A linear combination of co-axial dipolar and quadrupolar B fields generates a somewhat pear-shaped (but still convex) source surface. If the region surrounded by the source surface is regarded as current-free, then the source surface itself should be (as nearly as possible) an equipotential surface for the corresponding magnetic scalar potential (expanded, for example, in spherical harmonics). The solar wind should then flow not quite radially, but rather in a straight line along the outward normal to the source surface, and the heliospheric B field should follow a corresponding generalization of Parker's spiral [Levine et al., Solar Phys., 77, 363-392, 1982]. In particular, heliospheric current sheets (of which there are two if the underlying solar B field is mainly quadrupolar) should emanate from neutral lines on the corresponding source surface. However, because the source surface is relatively flattened in regions where such neutral lines tend to appear, the radial component of the heliospheric B field at r ~} 1 AU and beyond is much more nearly latitude-independent in absolute value than one would expect from models based on a spherical source surface.

Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

DOE PAGES

Cho, Herman

2016-02-28

Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2,5/2,7/2, and 9/2. These results are essential to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Furthermore, applications of NQR methods to studies of electronic structure in heavy element systems are proposed.

Study of a structural phase transition by two dimensional Fourier transform NMR method

NASA Astrophysics Data System (ADS)

Trokiner, A.; Man, P. P.; Théveneau, H.; Papon, P.

1985-09-01

The fluoroperovskite RbCaF 3 undergoes a structural phase transition at 195.5 K, from a cubic phase where the 87Rb nuclei have no quadrupolar interaction ( ωQ= 0) to a tetragonal phase where ω Q ≠ O. The transition is weakly first-order. A two-dimensional FT NMR experiment has been performed on 87Rb ( I = {3}/{2}) in a single crystal in both phases and in the vicinity of the phase transition. Our results show the coexistence of the two phases at the phase transition.

Nitrogen-14 NQR Study of Energetic Materials

DTIC Science & Technology

1982-09-01

field at the nuclear site due to its neighbors. Results analogous to Equation 2.1.4-1 have also been derived and observed for a quadrupolar system...to a function of the type SAf/(A 2 + A2 such as Equation 2.1.1-2. Insufficient data have been taken so far to ascertain tie degree of agreemcnt with...average value, rather than HI, the peak value, is the important parameter and that there is good agreement of the data with the form of Equation 2.1.1-2

Elastic anomalies associated with two successive transitions of PrV2Al20 probed by ultrasound measurements

NASA Astrophysics Data System (ADS)

Nakanishi, Y.; Taniguchi, M.; Nakamura, M. M.; Hasegawa, J.; Ohyama, R.; Nakamura, M.; Yoshizawa, M.; Tsujimoto, M.; Nakatsuji, S.

2018-05-01

We have performed the ultrasound measurement on the non-Kramers doublet system PrV2Al20 in order to figure out the low-temperature multi-quadrupolar phase appearing at low temperatures. Elastic anomalies and their systematic magnetic field evolution were clearly observed in the temperature dependence of the elastic constant C44(T). We discuss the possible origin and implications of the rich variety of phases emerging from the simple ground state: the well-isolated non-Kramers doublet Γ3 subspace.

Magnetic equivalence of terminal nuclei in the azide anion broken by nuclear spin relaxation

NASA Astrophysics Data System (ADS)

Bernatowicz, P.; Szymański, S.

NMR spectra of water solution of sodium azide selectively 15N labelled in the central position were studied using an iterative least-squares method. In agreement with predictions based on Bloch-Wangsness-Redfield nuclear spin relaxation theory, it is demonstrated that quadrupolar relaxation of the magnetically equivalent terminal 14N (spin-1) nuclei in the azide anion renders the J coupling between these nuclei an observable quantity. In isotropic fluids, this seems to be the first experimental evidence of relaxation-broken magnetic equivalence symmetry.

On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carof, Antoine; Salanne, Mathieu; Rotenberg, Benjamin, E-mail: benjamin.rotenberg@upmc.fr

Nuclear Magnetic Resonance (NMR) relaxation is sensitive to the local structure and dynamics around the probed nuclei. The Electric Field Gradient (EFG) is the key microscopic quantity to understand the NMR relaxation of quadrupolar ions, such as {sup 7}Li{sup +}, {sup 23}Na{sup +}, {sup 25}Mg{sup 2+}, {sup 35}Cl{sup −}, {sup 39}K{sup +}, or {sup 133}Cs{sup +}. Using molecular dynamics simulations, we investigate the statistical and dynamical properties of the EFG experienced by alkaline, alkaline Earth, and chloride ions at infinite dilution in water. Specifically, we analyze the effect of the ionic charge and size on the distribution of the EFGmore » tensor and on the multi-step decay of its auto-correlation function. The main contribution to the NMR relaxation time arises from the slowest mode, with a characteristic time on the picosecond time scale. The first solvation shell of the ion plays a dominant role in the fluctuations of the EFG, all the more that the ion radius is small and its charge is large. We propose an analysis based on a simplified charge distribution around the ion, which demonstrates that the auto-correlation of the EFG, hence the NMR relaxation time, reflects primarily the collective translational motion of water molecules in the first solvation shell of the cations. Our findings provide a microscopic route to the quantitative interpretation of NMR relaxation measurements and open the way to the design of improved analytical theories for NMR relaxation for small ionic solutes, which should focus on water density fluctuations around the ion.« less

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

PubMed

Iuga, Dinu

2011-02-01

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

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

NASA Astrophysics Data System (ADS)

Finley, Adam J.; Matt, Sean P.

2018-02-01

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

Magnetic-field-induced vortex-lattice transition in HgBa 2 CuO 4 + δ

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jeongseop A.; Xin, Yizhou; Stolt, I.

Measurements of the 17O nuclear magnetic resonance (NMR) quadrupolar spectrum of apical oxygen in HgBa 2CuO 4+δ were performed over a range of magnetic fields from 6.4–30 T in the superconducting state. Oxygen-isotope-exchanged single crystals were investigated with doping corresponding to superconducting transition temperatures from 74 K underdoped, to 78 K overdoped. The apical oxygen site was chosen since its NMR spectrum has narrow quadrupolar satellites that are well separated from any other resonance. Nonvortex contributions to the spectra can be deconvolved in the time domain to determine the local magnetic field distribution from the vortices. Numerical analysis using Brandt'smore » Ginzburg-Landau theory was used to find structural parameters of the vortex lattice, penetration depth, and coherence length as a function of magnetic field in the vortex solid phase. From this analysis we report a vortex structural transition near 15 T from an oblique lattice with an opening angle of 73° at low magnetic fields to a triangular lattice with 60° stabilized at high field. The temperature for onset of vortex dynamics has been identified from spin-spin relaxation. This is independent of the magnetic field at sufficiently high magnetic field similar to that reported for YBa 2Cu 3O 7 and Bi 2Sr 2CaCu 2O 8+δ and is correlated with mass anisotropy of the material. Here, this behavior is accounted for theoretically only in the limit of very high anisotropy.« less

Eruption of a Multiple-Turn Helical Magnetic Flux Tube in a Large Flare: Evidence for External and Internal Reconnection that Fits the Breakout Model of Solar Magnetic Eruptions

NASA Technical Reports Server (NTRS)

Gary, G. Allen; Moore, R. L.

2003-01-01

We present observations and an interpretation of a unique multiple-turn spiral flux tube eruption from AR10030 on 2002 July 15. The TRACE CIV observations clearly show a flux tube that is helical and that is erupting from within a sheared magnetic field. These observations are interpreted in the context of the breakout model for magnetic field explosions. The initiation of the helix eruption starts 25 seconds after the peak of the flare s strongest impulsive spike of microwave gryosynchrotron radiation early in the flare s explosive phase, implying that the sheared core field is not the site of the initial reconnection. Within the quadrupolar configuration of the active region, the external and internal reconnection sites are identified in each of two consecutive eruptive flares that produce a double CME. The first external breakout reconnection apparently releases an underlying sheared core field and allows it to erupt, leading to internal reconnection in the wake of the erupting helix. This internal reconnection heats the two-ribbon flare and might or might not produce the helix. These events lead to the first CME and are followed by a second breakout that initiates a second and larger halo CME. The strong magnetic shear in the region is associated with rapid proper motion and evolution of the active region. The multiple-turn helix originates from above a sheared-field magnetic inversion line within a filament channel, and starts to erupt only after fast breakout reconnection has started. These observations are counter to the standard flare model and support the breakout model for eruptive flare initiation. However, the observations are compatible with internal reconnection in a sheared magnetic arcade in the formation and eruption of the helix.

Eruption of a Multiple-Turn Helical Magnetic Flux Tube in a Large Flare: Evidence for External and Internal Reconnection that Fits the Breakout Model of Solar Magnetic Eruptions

NASA Technical Reports Server (NTRS)

Gary, G. Allen; Moore, R. L.

2004-01-01

We present observations and an interpretation of a unique multiple-turn spiral flux tube eruption from active region 10030 on 2002 July 15. The TRACE C IV observations clearly show a flux tube that is helical and erupting from within a sheared magnetic field. These observations are interpreted in the context of the breakout model for magnetic field explosions. The initiation of the helix eruption. as determined by a linear backward extrapolation, starts 25 s after the peak of the flare's strongest impulsive spike of microwave gyrosynchrotron radiation early in the flare s explosive phase, implying that the sheared core field is not the site of the initial reconnection. Within the quadrupolar configuration of the active region, the external and internal reconnection sites are identified in each of two consecutive eruptive flares that produce a double coronal mass ejection (CME). The first external breakout reconnection apparently releases an underlying sheared core field and allows it to erupt, leading to internal reconnection in the wake of the erupting helix. This internal reconnection releases the helix and heats the two-ribbon flare. These events lead to the first CME and are followed by a second breakout that initiates a second and larger halo CME. The strong magnetic shear in the region is compatible with the observed rapid proper motion and evolution of the active region. The multiple-turn helix originates from above a sheared-field magnetic inversion line within a filament channel. and starts to erupt only after fast breakout reconnection has started. These observations are counter to the standard flare model and support the breakout model for eruptive flare initiation.

Quasi-periodic Radio Bursts Associated with Fast-mode Waves near a Magnetic Null Point

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Pankaj; Nakariakov, Valery M.; Cho, Kyung-Suk, E-mail: pankaj.kumar@nasa.gov

This paper presents an observation of quasi-periodic rapidly propagating waves observed in the Atmospheric Image Assembly (AIA) 171/193 Å channels during the impulsive phase of an M1.9 flare that occurred on 2012 May 7. The instant period was found to decrease from 240 to 120 s, and the speed of the wavefronts was in the range of ∼664–1416 km s{sup −1}. Almost simultaneously, quasi-periodic bursts with similar instant periods, ∼70 and ∼140 s, occur in the microwave emission and in decimetric type IV and type III radio bursts, and in the soft X-ray emission. The magnetic field configuration of themore » flare site was consistent with a breakout topology, i.e., a quadrupolar field along with a magnetic null point. The quasi-periodic rapidly propagating wavefronts of the EUV emission are interpreted as a fast magnetoacoustic wave train. The observations suggest that the fast-mode waves are generated during the quasi-periodic magnetic reconnection in the cusp region above the flare arcade loops. For the first time, we provide evidence of a tadpole wavelet signature at about 70–140 s in decimetric (245/610 MHz) radio bursts, along with the direct observation of a coronal fast-mode wave train in EUV. In addition, at AIA 131/193 Å we observed quasi-periodic EUV disturbances with periods of 95 and 240 s propagating downward at apparent speeds of 172–273 km s{sup −1}. The nature of these downward propagating disturbances is not revealed, but they could be connected to magnetoacoustic waves or periodically shrinking loops.« less

Effect of Annealing Temperature on Morphological and Optical Transition of Silver Nanoparticles on c-Plane Sapphire.

PubMed

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Li, Ming-Yu; Zhang, Quanzhen; Lee, Jihoon

2018-05-01

As a promising candidate for the improved performance, silver nanoparticles (Ag NPs) have been successfully adapted in various applications such as photovoltaics, light emitting diodes (LEDs), sensors and catalysis by taking the advantage of their controllable plasmonic properties. In this paper, the control on the morphologies and optical properties of Ag NPs on c-plane sapphire (0001) is demonstrated by the systematic control of annealing temperature (between 200 and 950 °C) with 20 and 6 nm thick Ag films through the solid state dewetting. With the relatively thicker film of 20 nm, various configuration and size of Ag NPs are fabricated such as irregular, round dome-shaped and tiny Ag NPs depending on the annealing temperature. In a shrill contrast, the 6 nm Ag set exhibits a sharp distinction with the formation of densely packed small NPs and ultra-highly dense tiny Ag NPs due to the higher dewetting rate. While, the surface diffusion assumes the main driving force in the evolution process of Ag NP morphologies up to 550 °C, the sublimation of Ag atoms has played a significant role on top on the surface diffusion between 600 and 950 °C. The reflectance spectra of Ag NPs exhibit the quadrupolar resonance and dipolar resonance peaks, and the evolution of peaks, shift and average reflectance were discussed based on the Ag NPs size and surface coverage. In particular, the dipolar resonance peak in the reflectance spectra red shifts from ~475 to ~570 nm due to the size increment of Ag NPs (38.31 to 74.68 nm). The wide surface coverage of Ag NPs exhibits the highest average reflectance (~27%) and the lowest Raman intensity.

Cyclotron Phase-Coherent Ion Spatial Dispersion in a Non-Quadratic Trapping Potential is Responsible for FT-ICR MS at the Cyclotron Frequency

NASA Astrophysics Data System (ADS)

Nagornov, Konstantin O.; Kozhinov, Anton N.; Tsybin, Yury O.

2018-01-01

Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) at the cyclotron frequency instead of the reduced cyclotron frequency has been experimentally demonstrated using narrow aperture detection electrode (NADEL) ICR cells. Here, based on the results of SIMION simulations, we provide the initial mechanistic insights into the cyclotron frequency regime generation in FT-ICR MS. The reason for cyclotron frequency regime is found to be a new type of a collective motion of ions with a certain dispersion in the initial characteristics, such as pre-excitation ion velocities, in a highly non-quadratic trapping potential as realized in NADEL ICR cells. During ion detection, ions of the same m/z move in phase for cyclotron ion motion but out of phase for magnetron (drift) ion motion destroying signals at the fundamental and high order harmonics that comprise reduced cyclotron frequency components. After an initial magnetron motion period, ion clouds distribute into a novel type of structures - ion slabs, elliptical cylinders, or star-like structures. These structures rotate at the Larmor (half-cyclotron) frequency on a plane orthogonal to the magnetic field, inducing signals at the true cyclotron frequency on each of the narrow aperture detection electrodes. To eliminate the reduced cyclotron frequency peak upon dipolar ion detection, a number of slabs or elliptical cylinders organizing a star-like configuration are formed. In a NADEL ICR cell with quadrupolar ion detection, a single slab or an elliptical cylinder is sufficient to minimize the intensity of the reduced cyclotron frequency components, particularly the second harmonic. [Figure not available: see fulltext.

Quantum Information Processing with Large Nuclear Spins in GaAs Semiconductors

NASA Astrophysics Data System (ADS)

Leuenberger, Michael N.; Loss, Daniel; Poggio, M.; Awschalom, D. D.

2002-10-01

We propose an implementation for quantum information processing based on coherent manipulations of nuclear spins I=3/2 in GaAs semiconductors. We describe theoretically an NMR method which involves multiphoton transitions and which exploits the nonequidistance of nuclear spin levels due to quadrupolar splittings. Starting from known spin anisotropies we derive effective Hamiltonians in a generalized rotating frame, valid for arbitrary I, which allow us to describe the nonperturbative time evolution of spin states generated by magnetic rf fields. We identify an experimentally observable regime for multiphoton Rabi oscillations. In the nonlinear regime, we find Berry phase interference.

Paraelectric-antiferroelectric phase transition in achiral liquid crystals

NASA Astrophysics Data System (ADS)

Pociecha, Damian; Gorecka, Ewa; Čepič, Mojca; Vaupotič, Nataša; Gomola, Kinga; Mieczkowski, Jozef

2005-12-01

Critical freezing of molecular rotation in an achiral smectic phase, which leads to polar ordering through the second order paraelectric-antiferroelectric (Sm-A→Sm-APA) phase transition is studied theoretically and experimentally. Strong softening of the polar mode in the Sm-A phase and highly intensive dielectric mode in the Sm-APA phase are observed due to weak antiferroelectric interactions in the system. In the Sm-APA phase the dielectric response behaves critically upon biasing by a dc electric field. Such a behavior is found general for the antiferroelectric smectic phase with significant quadrupolar interlayer coupling.

Heavy Fermions

NASA Astrophysics Data System (ADS)

Sugiyama, K.; Ónuki, Y.

Recent experimental results of high-field magnetization and de Haas-van Alphen experiments in f-electron systems are presented. The magnetic moment and the electronic state are simultaneously discussed because both properties are connected with each other. The first example is a drastic change of the Fermi surface in the antiferromagnet NdIn3. The second is the metamagnetic transition based on the quadrupolar interaction in PrCu2. The third is the metamagnetic transition in a typical heavy fermion compound CeRu2Si2, together with the heavy fermion uranium compounds such as UPd2Al3, URu2Si2 and UPt3.

Permanent magnet system to guide superparamagnetic particles

NASA Astrophysics Data System (ADS)

Baun, Olga; Blümler, Peter

2017-10-01

A new concept of using permanent magnet systems for guiding superparamagnetic nano-particles on arbitrary trajectories over a large volume is proposed. The basic idea is to use one magnet system which provides a strong, homogeneous, dipolar magnetic field to magnetize and orient the particles, and a second constantly graded, quadrupolar field, superimposed on the first, to generate a force on the oriented particles. In this configuration the motion of the particles is driven predominantly by the component of the gradient field which is parallel to the direction of the homogeneous field. As a result, particles are guided with constant force and in a single direction over the entire volume. The direction is simply adjusted by varying the angle between quadrupole and dipole. Since a single gradient is impossible due to Gauß' law, the other gradient component of the quadrupole determines the angular deviation of the force. However, the latter can be neglected if the homogeneous field is stronger than the local contribution of the quadrupole field. A possible realization of this idea is a coaxial arrangement of two Halbach cylinders. A dipole to evenly magnetize and orient the particles, and a quadrupole to generate the force. The local force was calculated analytically for this particular geometry and the directional limits were analyzed and discussed. A simple prototype was constructed to demonstrate the principle in two dimensions on several nano-particles of different size, which were moved along a rough square by manual adjustment of the force angle. The observed velocities of superparamagnetic particles in this prototype were always several orders of magnitude higher than the theoretically expected value. This discrepancy is attributed to the observed formation of long particle chains as a result of their polarization by the homogeneous field. The magnetic moment of such a chain is then the combination of that of its constituents, while its hydrodynamic radius stays low. A complete system will consist of another quadrupole (third cylinder) to additionally enable scaling of the gradient/force strength by another rotation. In this configuration the device could then also be used as a simple MRI machine to image the particles between movement intervals. Finally, a concept is proposed by which superparamagnetic particles can be guided in three-dimensional space.

Apparatus for rapid adjustment of the degree of alignment of NMR samples in aqueous media: verification with residual quadrupolar splittings in (23)Na and (133)Cs spectra.

PubMed

Kuchel, Philip W; Chapman, Bogdan E; Müller, Norbert; Bubb, William A; Philp, David J; Torres, Allan M

2006-06-01

NMR spectra of (23)Na(+) and (133)Cs(+) in gelatine in a silicone rubber tube that was stretched to various extents showed remarkably reproducible resonance multiplicity. The relative intensities of the components of the split peaks had ratios, 3:4:3, and 7:12:15:16:15:12:7, respectively, that conformed with those predicted using a Mathematica program. The silicone-rubber tube was sealed at its lower end by a small rubber stopper and placed inside a thick-walled glass tube. Gelatine was injected in solution into the silicone tube and 'set' by cooling below 30 degrees C. A plastic thumb-screw held the silicone tube at various degrees of extension, up to approximately 2-fold. After constituting the gel in buffers containing NaCl and CsCl, both (23)Na and (133)Cs NMR spectroscopy revealed that after stretching the initial single Lorentzian line was split into a well-resolved triplet and a heptet, respectively. This was interpreted as being due to coupling between the electric quadrupoles of the nuclei and the average electric field gradient tensor of the collagen molecules of gelatine; these molecules became progressively more aligned in the direction of the main magnetic field, B(0), of the vertical bore magnet, as the gel was stretched. This apparatus provides a simple way of demonstrating fundamental physical characteristics of quadrupolar cations, some characteristics of gelatine under stretching, and a way to invoke static distortion of red blood cells. It should be useful with these and other cell types, for studies of metabolic and membrane transport characteristics that may change when the cells are distorted, and possibly for structural studies of macromolecules.

Apparatus for rapid adjustment of the degree of alignment of NMR samples in aqueous media: Verification with residual quadrupolar splittings in 23Na and 133Cs spectra

NASA Astrophysics Data System (ADS)

Kuchel, Philip W.; Chapman, Bogdan E.; Müller, Norbert; Bubb, William A.; Philp, David J.; Torres, Allan M.

2006-06-01

NMR spectra of 23Na + and 133Cs + in gelatine in a silicone rubber tube that was stretched to various extents showed remarkably reproducible resonance multiplicity. The relative intensities of the components of the split peaks had ratios, 3:4:3, and 7:12:15:16:15:12:7, respectively, that conformed with those predicted using a Mathematica program. The silicone-rubber tube was sealed at its lower end by a small rubber stopper and placed inside a thick-walled glass tube. Gelatine was injected in solution into the silicone tube and 'set' by cooling below 30 °C. A plastic thumb-screw held the silicone tube at various degrees of extension, up to ˜2-fold. After constituting the gel in buffers containing NaCl and CsCl, both 23Na and 133Cs NMR spectroscopy revealed that after stretching the initial single Lorentzian line was split into a well-resolved triplet and a heptet, respectively. This was interpreted as being due to coupling between the electric quadrupoles of the nuclei and the average electric field gradient tensor of the collagen molecules of gelatine; these molecules became progressively more aligned in the direction of the main magnetic field, B0, of the vertical bore magnet, as the gel was stretched. This apparatus provides a simple way of demonstrating fundamental physical characteristics of quadrupolar cations, some characteristics of gelatine under stretching, and a way to invoke static distortion of red blood cells. It should be useful with these and other cell types, for studies of metabolic and membrane transport characteristics that may change when the cells are distorted, and possibly for structural studies of macromolecules.

On the resonant detonation of sub-Chandrasekhar mass white dwarfs during binary inspiral

NASA Astrophysics Data System (ADS)

McKernan, B.; Ford, K. E. S.

2016-12-01

White dwarfs (WDs) are believed to detonate via explosive Carbon-fusion in a Type Ia supernova (SN) when their temperature and/or density reach the point where Carbon is ignited in a runaway reaction. Observations of the Type Ia SN rate imply that all WD binaries that merge through the emission of gravitational radiation within a Hubble time should result in SNe, regardless of total mass. Here we investigate the conditions under which a single WD in a binary system might extract energy from its orbit, depositing enough energy into a resonant mode such that it detonates before merger. We show that, ignoring non-linear effects in a WD binary in tidal lock at small binary separations, the sustained tidal forcing of a low-order quadrupolar g mode or a harmonic of a low-order quadrupolar p mode could, in principle, drive the average temperature of Carbon nuclei in the mode over the runaway fusion threshold. If growing mode energy is thermalized at a core/atmosphere boundary, rapid Helium burning and inwards-travelling p-waves may result in core detonation. Thermalization at a boundary in the core can also result in detonation. If energy can be efficiently transferred from the orbit to modes as the WD binary passes through resonances, the WD merger time-scale will be shortened by Myr-Gyr compared to expected time-scales from gravitational wave (GW)-emission alone and GW detectors will observe deviations from predicted chirp profiles in resolved WD binaries. Future work in this area should focus on whether tidal locking in WD binaries is naturally driven towards low-order mode frequencies.

On the crystal structure of the vaterite polymorph of CaCO3: a calcium-43 solid-state NMR and computational assessment.

PubMed

Burgess, Kevin M N; Bryce, David L

2015-02-01

The vaterite polymorph of CaCO3 has puzzled crystallographers for decades in part due to difficulties in obtaining single crystals. The multiple proposed structures for the vaterite polymorph of CaCO3 are assessed using a combined (43)Ca solid-state nuclear magnetic resonance (SSNMR) spectroscopic and computational approach. A combination of improved experimental and computational methods, along with a calibrated chemical shift scale and (43)Ca nuclear quadrupole moment, allow for improved insights relative to our earlier work (Bryce et al., J. Am. Chem. Soc. 2008, 130, 9282). Here, we synthesize a (43)Ca isotopically-enriched sample of vaterite and perform high-resolution quadrupolar SSNMR experiments including magic-angle spinning (MAS), double-rotation (DOR), and multiple-quantum (MQ) MAS experiments at magnetic field strengths of 9.4 and 21.1T. We identify one crystallographically unique Ca(2+) site in vaterite with a slight distribution in both chemical shifts and quadrupolar parameters. Both the experimental (43)Ca electric field gradient tensor and the isotropic chemical shift for vaterite are compared to those calculated with the gauge-including projector-augmented-wave (GIPAW) DFT method in an attempt to identify the model that best represents the crystal structure of vaterite. Simulations of (43)Ca DOR and MAS NMR spectra based on the NMR parameters computed for a total of 18 structural models for vaterite allow us to distinguish between these models. Among these 18, the P3221 and C2 structures provide simulated spectra and diffractograms in best agreement with all experimental data. Copyright © 2014 Elsevier Inc. All rights reserved.

Dipole-quadrupole dynamics during magnetic field reversals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gissinger, Christophe

The shape and the dynamics of reversals of the magnetic field in a turbulent dynamo experiment are investigated. We report the evolution of the dipolar and the quadrupolar parts of the magnetic field in the VKS experiment, and show that the experimental results are in good agreement with the predictions of a recent model of reversals: when the dipole reverses, part of the magnetic energy is transferred to the quadrupole, reversals begin with a slow decay of the dipole and are followed by a fast recovery, together with an overshoot of the dipole. Random reversals are observed at the borderlinemore » between stationary and oscillatory dynamos.« less

Design of an rf quadrupole for Landau damping

NASA Astrophysics Data System (ADS)

Papke, K.; Grudiev, A.

2017-08-01

The recently proposed superconducting quadrupole resonator for Landau damping in accelerators is subjected to a detailed design study. The optimization process of two different cavity types is presented following the requirements of the High Luminosity Large Hadron Collider (HL-LHC) with the main focus on quadrupolar strength, surface peak fields, and impedance. The lower order and higher order mode (LOM and HOM) spectrum of the optimized cavities is investigated and different approaches for their damping are proposed. On the basis of an example the first two higher order multipole errors are calculated. Likewise on this example the required rf power and optimal external quality factor for the input coupler is derived.

Quantum Information Processing with Large Nuclear Spins in GaAs Semiconductors

NASA Astrophysics Data System (ADS)

Leuenberger, Michael N.; Loss, Daniel; Poggio, M.; Awschalom, D. D.

2003-03-01

We propose an implementation for quantum information processing based on coherent manipulations of nuclear spins I=3/2 in GaAs semiconductors. We describe theoretically an NMR method which involves multiphoton transitions and which exploits the nonequidistance of nuclear spin levels due to quadrupolar splittings. Starting from known spin anisotropies we derive effective Hamiltonians in a generalized rotating frame, valid for arbitrary I, which allow us to describe the nonperturbative time evolution of spin states generated by magnetic rf fields. We identify an experimentally observable regime for multiphoton Rabi oscillations. In the nonlinear regime, we find Berry phase interference. Ref: PRL 89, 207601 (2002).

Quadrupole radiation from terahertz dipole antennas.

PubMed

Rudd, J V; Johnson, J L; Mittleman, D M

2000-10-15

We report what is to our knowledge the first detailed investigation of the polarization state of radiation from lens-coupled terahertz dipole antennas. The radiation exhibits a weak but measurable component that is polarized orthogonally to the orientation of the emitter dipole. The angular radiation pattern of this cross-polarized emission reveals that it is quadrupolar, rather than dipolar, in nature. One can understand this result by taking into account the photocurrent flowing in the strip lines that feed the dipole antenna. A Fresnel-Kirchhoff scalar diffraction calculation is used for calculating the frequency-dependent angular distribution of the radiation pattern, providing satisfactory agreement with the measurements.

Multiple-Quantum Transitions and Charge-Induced Decoherence of Donor Nuclear Spins in Silicon

NASA Astrophysics Data System (ADS)

Franke, David P.; Pflüger, Moritz P. D.; Itoh, Kohei M.; Brandt, Martin S.

2017-06-01

We study single- and multiquantum transitions of the nuclear spins of an ensemble of ionized arsenic donors in silicon and find quadrupolar effects on the coherence times, which we link to fluctuating electrical field gradients present after the application of light and bias voltage pulses. To determine the coherence times of superpositions of all orders in the 4-dimensional Hilbert space, we use a phase-cycling technique and find that, when electrical effects were allowed to decay, these times scale as expected for a fieldlike decoherence mechanism such as the interaction with surrounding Si 29 nuclear spins.

Curvature-induced capillary interaction of spherical particles at a liquid interface.

PubMed

Würger, Alois

2006-10-01

We consider a liquid interface with different principal curvatures +/-c and find that the mere presence of a spherical particle leads to a deformation field of quadrupolar symmetry; the corresponding "capillary quadrupole moment" is given by the ratio of the particle size and the curvature radius. The resulting pair interaction of nearby particles is anisotropic and favors the formation of aggregates of cubic symmetry. Since the single-particle trapping energy depends quadratically on curvature with a negative prefactor, a curvature gradient induces a lateral force that pushes the particles towards strongly curved regions of the interface. As an illustration we discuss the effects occurring on a catenoid.

A Monte Carlo study of the spin-1 Blume-Emery-Griffiths phase diagrams within biquadratic exchange anisotropy

NASA Astrophysics Data System (ADS)

Dani, Ibtissam; Tahiri, Najim; Ez-Zahraouy, Hamid; Benyoussef, Abdelilah

2014-08-01

The effect of the bi-quadratic exchange coupling anisotropy on the phase diagram of the spin-1 Blume-Emery-Griffiths model on simple-cubic lattice is investigated using mean field theory (MFT) and Monte Carlo simulation (MC). It is found that the anisotropy of the biquadratic coupling favors the stability of the ferromagnetic phase. By decreasing the parallel and/or perpendicular bi-quadratic coupling, the ferrimagnetic and the antiquadrupolar phases broaden in contrast, the ferromagnetic and the disordered phases become narrow. The behavior of magnetization and quadrupolar moment as a function of temperature is also computed, especially in the ferrimagnetic phase.

Synthesis of Large-Pore Stabilized MIL-53(Al) Compounds with Increased CO2 Adsorption and Decreased Water Adsorption

DTIC Science & Technology

2014-01-01

increase in the quadrupolar coupling constant upon saturation with DMF for sDMF220, 8.4~10.1, and sDMF120, 8.2~10.1 compared to the increase in CQ...nonpolar methane . The CH4 adsorption isotherms for sH2O and sDMF220 shown in Fig. 5 also exhibit Type I behaviour. The CO2 adsorption isotherm for sH2O...Am. Chem. Soc., 2002, 124, 13519-13526. 15. T. Loiseau, C. Serre, C. Huguenard, G. Fink, F. Taulelle, M. Henry , T. Bataille and G. Ferey, Chem-Eur J

A qualitative study of spin polarization effect in defect tuned Co/graphene/Co nanostructures

NASA Astrophysics Data System (ADS)

Mandal, Sumit; Saha, Shyamal K.

2014-10-01

Theoretical reports predict that in contact with a ferromagnetic giant spin, spin polarization evolves in defective graphene since defects in graphene act as local spin moments. We have synthesized different Co/graphene/Co nano spin valve like structures tuning the degree of defect applying ultrasonic vibration and characterized them by Raman spectroscopy. Initially with increasing ID/IG ratio in Raman spectra, antiferromagnetic coupling between the Co nanosheets on either sides of graphene enhances leading to betterment in spin transport through graphene. But for highest ID/IG, a totally new phenomenon called antiferro quadrupolar ordering (AFQ) takes place which eventually reduces the spin polarization effect.

Experimental observation of spatially localized dynamo magnetic fields.

PubMed

Gallet, B; Aumaître, S; Boisson, J; Daviaud, F; Dubrulle, B; Bonnefoy, N; Bourgoin, M; Odier, Ph; Pinton, J-F; Plihon, N; Verhille, G; Fauve, S; Pétrélis, F

2012-04-06

We report the first experimental observation of a spatially localized dynamo magnetic field, a common feature of astrophysical dynamos and convective dynamo simulations. When the two propellers of the von Kármán sodium experiment are driven at frequencies that differ by 15%, the mean magnetic field's energy measured close to the slower disk is nearly 10 times larger than the one close to the faster one. This strong localization of the magnetic field when a symmetry of the forcing is broken is in good agreement with a prediction based on the interaction between a dipolar and a quadrupolar magnetic mode. © 2012 American Physical Society

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Yanyan

This thesis describes application and development of advanced solid-state nuclear magnetic resonance techniques for complex materials, in particular organic-inorganic nanocomposites and thermoelectric tellurides. The apatite-collagen interface, essential for understanding the biomineralization process in bone and engineering the interface for controlled bio-mimetic synthesis and optimized mechanical properties, is buried within the nanocomposite of bone. We used multinuclear solid-state NMR to study the composition and structure of the interface. Citrate has been identified as the main organic molecule strongly bound to the apatite surface with a density of 1/(2 nm) 2, covering 1/6 of the total surface area in bovine bone. Citratemore » provides more carboxylate groups, one of the key functional groups found to affect apatite nucleation and growth, than all the non-collagenous proteins all together in bone; thus we propose that citrate stabilizes apatite crystals at a very small thickness of ~3 nm (4 unit cells) to increase bone fracture tolerance. The hypothesis has been confirmed in vitro by adding citrate in the bio-mimetic synthesis of polymerhydroxyapatite nanocomposites. The results have shown that the size of hydroxyapatite nanocrystals decreases as increasing citrate concentration. With citrate concentrations comparable to that in body fluids, similar-sized nanocrystals as in bone have been produced. Besides the dimensions of the apatite crystals, the composition of bone also affects its biofunctional and macroscopic mechanical properties; therefore, our team also extended its effort to enhance the inorganic portion in our bio-mimetic synthesis from originally 15 wt% to current 50 wt% compared to 65 wt% in bovine bone, by using Lysine-Leucine hydroxyapatite nucleating diblock co-polypeptide, which forms a gel at very low concentration. In this thesis, various advanced solid state NMR techniques have been employed to characterize nanocomposites. Meanwhile, we have developed new methods to achieve broadband high resolution NMR and improve the accuracy of inter-nuclear distance measurements involving quadrupolar spins. Broadband high resolution NMR of spin-1/2 nuclei has been accomplished by the adaptation of the magic angle turning (MAT) method to fast magic angle spinning, termed fast MAT, by solving technical problems such as off resonance effects. Fast MAT separates chemical shift anisotropy and isotropic chemical shifts over a spectral range of ~1.8 γB 1 without significant distortions. Fast MAT 125Te NMR has been applied to study technologically important telluride materials with spectra spreading up to 190 kHz. The signal-to-noise ratio of the spectra is significantly improved by using echo-matched Gaussian filtering in offline data processing. The accuracy of the measured distances between spin-1/2 and quadrupolar nuclei with methods such as SPIDER and REAPDOR has been improved by compensating for the fast longitudinal quadrupolar relaxation on the sub-millisecond with a modified S 0 pulse sequence. Also, the T1Q effect on the spin coherence and its spinning speed dependency has been explored and documented with analytical and numerical simulations as well as experimental measurements.« less

Dynamics of nonspherical microbubble oscillations above instability threshold

NASA Astrophysics Data System (ADS)

Guédra, Matthieu; Cleve, Sarah; Mauger, Cyril; Blanc-Benon, Philippe; Inserra, Claude

2017-12-01

Time-resolved dynamics of nonspherical oscillations of micrometer-sized bubbles are captured and analyzed using high-speed imaging. The axisymmetry of the bubble shape is ensured with certainty for the first time from the recordings of two synchronous high-speed cameras located at 90∘. The temporal dynamics of finite-amplitude nonspherical oscillations are then analyzed for various acoustic pressures above the instability threshold. The experimental results are compared with recent theories accounting for nonlinearities and mode coupling, highlighting particular effects inherent to these mechanisms (saturation of the instability, triggering of nonparametric shape modes). Finally, the amplitude of the nonspherical oscillations is given as function of the driving pressure both for quadrupolar and octupolar bubbles.

Spherical Particle in Nematic Liquid Crystal Under an External Field: The Saturn Ring Regime

NASA Astrophysics Data System (ADS)

Alama, Stan; Bronsard, Lia; Lamy, Xavier

2018-03-01

We consider a nematic liquid crystal occupying the exterior region in R^3 outside of a spherical particle, with radial strong anchoring. Within the context of the Landau-de Gennes theory, we study minimizers subject to an external field, modeled by an additional term which favors nematic alignment parallel to the field. When the external field is high enough, we obtain a scaling law for the energy. The energy scale corresponds to minimizers concentrating their energy in a boundary layer around the particle, with quadrupolar symmetry. This suggests the presence of a Saturn ring defect around the particle, rather than a dipolar director field typical of a point defect.

Magnetic structure of Ba (TiO ) Cu4(PO4)4 probed using spherical neutron polarimetry

NASA Astrophysics Data System (ADS)

Babkevich, P.; Testa, L.; Kimura, K.; Kimura, T.; Tucker, G. S.; Roessli, B.; Rønnow, H. M.

2017-12-01

The antiferromagnetic compound Ba (TiO ) Cu4(PO4)4 contains square cupola of corner-sharing CuO4 plaquettes, which were proposed to form effective quadrupolar order. To identify the magnetic structure, we have performed spherical neutron polarimetry measurements. Based on symmetry analysis and careful measurements, we conclude that the orientation of the Cu2 + spins form a noncollinear in-out structure with spins approximately perpendicular to the CuO4 motif. Strong Dzyaloshinskii-Moriya interaction naturally lends itself to explain this phenomenon. The identification of the ground-state magnetic structure should serve well for future theoretical and experimental studies into this and closely related compounds.

Flow profiling of a surface-acoustic-wave nanopump.

PubMed

Guttenberg, Z; Rathgeber, A; Keller, S; Rädler, J O; Wixforth, A; Kostur, M; Schindler, M; Talkner, P

2004-11-01

The flow profile in a capillary gap and the pumping efficiency of an acoustic micropump employing surface acoustic waves is investigated both experimentally and theoretically. Ultrasonic surface waves on a piezoelectric substrate strongly couple to a thin liquid layer and generate a quadrupolar streaming pattern within the fluid. We use fluorescence correlation spectroscopy and fluorescence microscopy as complementary tools to investigate the resulting flow profile. The velocity was found to depend on the applied power approximately linearly and to decrease with the inverse third power of the distance from the ultrasound generator on the chip. The found properties reveal acoustic streaming as a promising tool for the controlled agitation during microarray hybridization.

Flow profiling of a surface-acoustic-wave nanopump

NASA Astrophysics Data System (ADS)

Guttenberg, Z.; Rathgeber, A.; Keller, S.; Rädler, J. O.; Wixforth, A.; Kostur, M.; Schindler, M.; Talkner, P.

2004-11-01

The flow profile in a capillary gap and the pumping efficiency of an acoustic micropump employing surface acoustic waves is investigated both experimentally and theoretically. Ultrasonic surface waves on a piezoelectric substrate strongly couple to a thin liquid layer and generate a quadrupolar streaming pattern within the fluid. We use fluorescence correlation spectroscopy and fluorescence microscopy as complementary tools to investigate the resulting flow profile. The velocity was found to depend on the applied power approximately linearly and to decrease with the inverse third power of the distance from the ultrasound generator on the chip. The found properties reveal acoustic streaming as a promising tool for the controlled agitation during microarray hybridization.

Quadrupolar magic angle spinning NMR spectra fitted using the Pearson IV function.

PubMed

Mironenko, Roman M; Belskaya, Olga B; Talsi, Valentin P; Likholobov, Vladimir A

2014-01-01

The Pearson IV function was used to fit the asymmetric solid-state (27)Al NMR spectra of alumina based catalysts. A high convergence (correlation coefficient is no less than 0.997) between experimental and simulated spectra was achieved. The decomposition of the (27)Al NMR spectra of zinc/aluminum mixed oxides with different Zn/Al molar ratio revealed an increased fraction (6-9%) of pentacoordinated aluminum atoms in these oxides as compared to γ-Al2O3. As the Zn/Al ratio is raised, the fraction of [AlO6] octahedral units decreases, while the fraction of [AlO4] tetrahedra increases. Copyright © 2014 Elsevier Inc. All rights reserved.

Magnetic and electrical properties of dhcp NpPd3 and (U1-xNpx)Pd3

NASA Astrophysics Data System (ADS)

Walker, H. C.; McEwen, K. A.; Boulet, P.; Colineau, E.; Griveau, J.-C.; Rebizant, J.; Wastin, F.

2007-11-01

We have made an extensive study of the magnetic and electrical properties of double-hexagonal close-packed NpPd3 and a range of (U1-xNpx)Pd3 compounds with x=0.01 , 0.02, 0.05, and 0.50 using magnetization, magnetic susceptibility, electrical resistivity, and heat capacity measurements on polycrystalline samples, performed in the temperature range 2-300K and in magnetic fields up to 9T . Two transitions are observed in NpPd3 at T=10 and 30K . Dilute Np samples (x⩽0.05) exhibit quadrupolar transitions, with the transition temperatures reduced from those of pure UPd3 .

Nonlinear dynamo action in a precessing cylindrical container.

PubMed

Nore, C; Léorat, J; Guermond, J-L; Luddens, F

2011-07-01

It is numerically demonstrated by means of a magnetohydrodynamics code that precession can trigger the dynamo effect in a cylindrical container. When the Reynolds number, based on the radius of the cylinder and its angular velocity, increases, the flow, which is initially centrosymmetric, loses its stability and bifurcates to a quasiperiodic motion. This unsteady and asymmetric flow is shown to be capable of sustaining dynamo action in the linear and nonlinear regimes. The magnetic field thus generated is unsteady and quadrupolar. These numerical evidences of dynamo action in a precessing cylindrical container may be useful for an experiment now planned at the Dresden sodium facility for dynamo and thermohydraulic studies in Germany.

Decay rates of magnetic modes below the threshold of a turbulent dynamo.

PubMed

Herault, J; Pétrélis, F; Fauve, S

2014-04-01

We measure the decay rates of magnetic field modes in a turbulent flow of liquid sodium below the dynamo threshold. We observe that turbulent fluctuations induce energy transfers between modes with different symmetries (dipolar and quadrupolar). Using symmetry properties, we show how to measure the decay rate of each mode without being restricted to the one with the smallest damping rate. We observe that the respective values of the decay rates of these modes depend on the shape of the propellers driving the flow. Dynamical regimes, including field reversals, are observed only when the modes are both nearly marginal. This is in line with a recently proposed model.

The clustering of galaxies in the completed SDSS-III Baryon Oscillation Spectroscopic Survey: theoretical systematics and Baryon Acoustic Oscillations in the galaxy correlation function

NASA Astrophysics Data System (ADS)

Vargas-Magaña, Mariana; Ho, Shirley; Cuesta, Antonio J.; O'Connell, Ross; Ross, Ashley J.; Eisenstein, Daniel J.; Percival, Will J.; Grieb, Jan Niklas; Sánchez, Ariel G.; Tinker, Jeremy L.; Tojeiro, Rita; Beutler, Florian; Chuang, Chia-Hsun; Kitaura, Francisco-Shu; Prada, Francisco; Rodríguez-Torres, Sergio A.; Rossi, Graziano; Seo, Hee-Jong; Brownstein, Joel R.; Olmstead, Matthew; Thomas, Daniel

2018-06-01

We investigate the potential sources of theoretical systematics in the anisotropic Baryon Acoustic Oscillation (BAO) distance scale measurements from the clustering of galaxies in configuration space using the final Data Release (DR12) of the Baryon Oscillation Spectroscopic Survey (BOSS). We perform a detailed study of the impact on BAO measurements from choices in the methodology such as fiducial cosmology, clustering estimators, random catalogues, fitting templates, and covariance matrices. The theoretical systematic uncertainties in BAO parameters are found to be 0.002 in the isotropic dilation α and 0.003 in the quadrupolar dilation ɛ. The leading source of systematic uncertainty is related to the reconstruction techniques. Theoretical uncertainties are sub-dominant compared with the statistical uncertainties for BOSS survey, accounting 0.2σstat for α and 0.25σstat for ɛ (σα, stat ˜ 0.010 and σɛ, stat ˜ 0.012, respectively). We also present BAO-only distance scale constraints from the anisotropic analysis of the correlation function. Our constraints on the angular diameter distance DA(z) and the Hubble parameter H(z), including both statistical and theoretical systematic uncertainties, are 1.5 per cent and 2.8 per cent at zeff = 0.38, 1.4 per cent and 2.4 per cent at zeff = 0.51, and 1.7 per cent and 2.6 per cent at zeff = 0.61. This paper is part of a set that analyses the final galaxy clustering data set from BOSS. The measurements and likelihoods presented here are cross-checked with other BAO analysis in Alam et al. The systematic error budget concerning the methodology on post-reconstruction BAO analysis presented here is used in Alam et al. to produce the final cosmological constraints from BOSS.

Modulation of Morphology and Optical Property of Multi-Metallic PdAuAg and PdAg Alloy Nanostructures.

PubMed

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-05-16

In this work, the evolution of PdAg and PdAuAg alloy nanostructures is demonstrated on sapphire (0001) via the solid-state dewetting of multi-metallic thin films. Various surface configurations, size, and arrangements of bi- and tri-metallic alloy nanostructures are fabricated as a function of annealing temperature, annealing duration, film thickness, and deposition arrangements such as bi-layers (Pd/Ag), tri-layers (Pd/Au/Ag), and multi-layers (Pd/Au/Ag × 5). Specifically, the tri-layers film shows the gradual evolution of over-grown NPs, voids, wiggly nanostructures, and isolated PdAuAg alloy nanoparticles (NPs) along with the increased annealing temperature. In contrast, the multi-layers film with same thickness show the enhanced dewetting rate, which results in the formation of voids at relatively lower temperature, wider spacing, and structural regularity of alloy NPs at higher temperature. The dewetting enhancement is attributed to the increased number of interfaces and reduced individual layer thickness, which aid the inter-diffusion process at the initial stage. In addition, the time evolution of the Pd 150 nm /Ag 80 nm bi-layer films at constant temperature show the wiggly-connected and isolated PdAg alloy NPs. The overall evolution of alloy NPs is discussed based on the solid-state dewetting mechanism in conjunction with the diffusion, inter-diffusion, alloying, sublimation, Rayleigh instability, and surface energy minimization. Depending upon their surface morphologies, the bi- and tri-metallic alloy nanostructures exhibit the dynamic reflectance spectra, which show the formation of dipolar (above 700 nm) and quadrupolar resonance peaks (~ 380 nm) and wide dips in the visible region as correlated to the localized surface plasmon resonance (LSPR) effect. An absorption dip is readily shifted from ~ 510 to ~ 475 nm along with the decreased average size of alloy nanostructures.

Modulation of Morphology and Optical Property of Multi-Metallic PdAuAg and PdAg Alloy Nanostructures

NASA Astrophysics Data System (ADS)

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-05-01

In this work, the evolution of PdAg and PdAuAg alloy nanostructures is demonstrated on sapphire (0001) via the solid-state dewetting of multi-metallic thin films. Various surface configurations, size, and arrangements of bi- and tri-metallic alloy nanostructures are fabricated as a function of annealing temperature, annealing duration, film thickness, and deposition arrangements such as bi-layers (Pd/Ag), tri-layers (Pd/Au/Ag), and multi-layers (Pd/Au/Ag × 5). Specifically, the tri-layers film shows the gradual evolution of over-grown NPs, voids, wiggly nanostructures, and isolated PdAuAg alloy nanoparticles (NPs) along with the increased annealing temperature. In contrast, the multi-layers film with same thickness show the enhanced dewetting rate, which results in the formation of voids at relatively lower temperature, wider spacing, and structural regularity of alloy NPs at higher temperature. The dewetting enhancement is attributed to the increased number of interfaces and reduced individual layer thickness, which aid the inter-diffusion process at the initial stage. In addition, the time evolution of the Pd150 nm/Ag80 nm bi-layer films at constant temperature show the wiggly-connected and isolated PdAg alloy NPs. The overall evolution of alloy NPs is discussed based on the solid-state dewetting mechanism in conjunction with the diffusion, inter-diffusion, alloying, sublimation, Rayleigh instability, and surface energy minimization. Depending upon their surface morphologies, the bi- and tri-metallic alloy nanostructures exhibit the dynamic reflectance spectra, which show the formation of dipolar (above 700 nm) and quadrupolar resonance peaks ( 380 nm) and wide dips in the visible region as correlated to the localized surface plasmon resonance (LSPR) effect. An absorption dip is readily shifted from 510 to 475 nm along with the decreased average size of alloy nanostructures.

Partial independence of bioelectric and biomagnetic fields and its implications for encephalography and cardiography

NASA Astrophysics Data System (ADS)

Irimia, Andrei; Swinney, Kenneth R.; Wikswo, John P.

2009-05-01

In this paper, we clearly demonstrate that the electric potential and the magnetic field can contain different information about current sources in three-dimensional conducting media. Expressions for the magnetic fields of electric dipole and quadrupole current sources immersed in an infinite conducting medium are derived, and it is shown that two different point dipole distributions that are electrically equivalent have different magnetic fields. Although measurements of the electric potential are not sufficient to determine uniquely the characteristics of a quadrupolar source, the radial component of the magnetic field can supply the additional information needed to resolve these ambiguities and to determine uniquely the configuration of dipoles required to specify the electric quadrupoles. We demonstrate how the process can be extended to even higher-order terms in an electrically silent series of magnetic multipoles. In the context of a spherical brain source model, it has been mathematically demonstrated that the part of the neuronal current generating the electric potential lives in the orthogonal complement of the part of the current generating the magnetic potential. This implies a mathematical relationship of complementarity between electroencephalography and magnetoencephalography, although the theoretical result in question does not apply to the nonspherical case [G. Dassios, Math. Med. Biol. 25, 133 (2008)]. Our results have important practical applications in cases where electrically silent sources that generate measurable magnetic fields are of interest. Moreover, electrically silent, magnetically active moments of higher order can be useful when cancellation due to superposition of fields can occur, since this situation leads to a substantial reduction in the measurable amplitude of the signal. In this context, information derived from magnetic recordings of electrically silent, magnetically active multipoles can supplement electrical recordings for the purpose of studying the physiology of the brain. Magnetic fields of the electric multipole sources in a conducting medium surrounded by an insulating spherical shell are also presented and the relevance of this calculation to cardiographic and encephalographic experimentation is discussed.

Post-Keplerian perturbations of the orbital time shift in binary pulsars: an analytical formulation with applications to the galactic center

NASA Astrophysics Data System (ADS)

Iorio, Lorenzo

2017-07-01

We develop a general approach to analytically calculate the perturbations Δ δ τ _ {p} of the orbital component of the change δ τ _ {p} of the times of arrival of the pulses emitted by a binary pulsar p induced by the post-Keplerian accelerations due to the mass quadrupole Q_2, and the post-Newtonian gravitoelectric (GE) and Lense-Thirring (LT) fields. We apply our results to the so-far still hypothetical scenario involving a pulsar orbiting the supermassive black hole in the galactic center at Sgr A^*. We also evaluate the gravitomagnetic and quadrupolar Shapiro-like propagation delays δ τ _ {prop}. By assuming the orbit of the existing main sequence star S2 and a time span as long as its orbital period P_b, we obtain | Δ δ τ _ {p}^ {GE}| ≲ 10^3 {s}, | Δ δ τ _ {p}^ {LT}| ≲ 0.6 {s},| Δ δ τ _ {p}^{Q_2}| ≲ 0.04 {s}. Faster ( P_b= 5 {years}) and more eccentric ( e=0.97) orbits would imply net shifts per revolution as large as | < Δ δ τ _ {p}^ {GE}\\rangle | ≲ 10 {Ms}, | < Δ δ τ _ {p}^ {LT}\\rangle | ≲ 400 {s},| < Δ δ τ _ {p}^{Q_2}\\rangle | ≲ 10^3 {s}, depending on the other orbital parameters and the initial epoch. For the propagation delays, we have | δ τ _ {prop}^ {LT}| ≲ 0.02 {s}, | δ τ _ {prop}^{Q_2}| ≲ 1 μs. The results for the mass quadrupole and the Lense-Thirring field depend, among other things, on the spatial orientation of the spin axis of the Black Hole. The expected precision in pulsar timing in Sgr A^* is of the order of 100 μs, or, perhaps, even 1-10 μs. Our method is, in principle, neither limited just to some particular orbital configuration nor to the dynamical effects considered in the present study.

A no-tune no-match wideband probe for nuclear quadrupole resonance spectroscopy in the VHF range

NASA Astrophysics Data System (ADS)

Scharfetter, Hermann; Petrovic, Andreas; Eggenhofer, Heidi; Stollberger, Rudolf

2014-12-01

Nuclear quadrupole resonance (NQR) spectroscopy is a method for the characterization of chemical compounds containing so-called quadrupolar nuclei. Similar to nuclear magnetic resonance (NMR), the sample under investigation is irradiated with strong radiofrequency (RF) pulses, which stimulate the emission of weak RF signals from the quadrupolar nuclei. The signals are then amplified and Fourier transformed so as to obtain a spectrum. In principle, narrowband NQR spectra can be measured with NMR spectrometers. However, pure NQR signals require the absence of a static magnetic field and several special applications require the characterization of a substance over a large bandwidth, e.g. 50-100% of the central frequency, which is hardly possible with standard NMR equipment. Dedicated zero-field NQR equipment is not widespread and current concepts employ resonating probes which are tuned and matched over a wide range by using mechanical capacitors driven by stepper motors. While providing the highest signal to noise ratio (SNR) such probes are slow in operation and can only be operated from dedicated NMR consoles. We developed a low-cost NQR wideband probe without tuning and matching for applications in the very high frequency (VHF) range below 300 MHz. The probe coil was realized as part of a reactive network which approximates an exponential transmission line. The input reflection coefficient of the two developed prototype probe coils is ≤ 20 dB between 90-145 MHz and 74.5-99.5 MHz, respectively. Two wideband NQR spectra of published test substances were acquired with an SNR of better than 20 dB after sufficient averaging. The measured signals and the SNR correspond very well to the theoretically expected values and demonstrate the feasibility of the method. Because there is no need for tuning and matching, our probes can be operated easily from any available NMR console.

Singularities in the lineshape of a second-order perturbed quadrupolar nucleus and their use in data fitting.

PubMed

Field, Timothy R; Bain, Alex D

2014-01-01

Even for large quadrupolar interactions, the powder spectrum of the central transition for a half-integral spin is relatively narrow, because it is unperturbed to first order. However, the second-order perturbation is still orientation dependent, so it generates a characteristic lineshape. This lineshape has both finite step discontinuities and singularities where the spectrum is infinite, in theory. The relative positions of these features are well-known and they play an important role in fitting experimental data. However, there has been relatively little discussion of how high the steps are, so we present explicit formulae for these heights. This gives a full characterization of the features in this lineshape which can lead to an analysis of the spectrum without the usual laborious powder average. The transition frequency, as a function of the orientation angles, shows critical points: maxima, minima and saddle points. The maxima and minima correspond to the step discontinuities and the saddle points generate the singularities. Near a maximum, the contours are ellipses, whose dimensions are determined by the second derivatives of the frequency with respect to the polar and azimuthal angles. The density of points is smooth as the contour levels move up and down, but then drops to zero when a maximum is passed, giving a step. The height of the step is determined by the Hessian matrix-the matrix of all partial second derivatives. The points near the poles and the saddle points require a more detailed analysis, but this can still be done analytically. The resulting formulae are then compared to numerical simulations of the lineshape. We expand this calculation to include a relatively simple case where there is chemical shielding anisotropy and use this to fit experimental (139)La spectra of La2O3. Copyright © 2014 Elsevier Inc. All rights reserved.

Structural anomaly and dynamic heterogeneity in cycloether/water binary mixtures: Signatures from composition dependent dynamic fluorescence measurements and computer simulations

NASA Astrophysics Data System (ADS)

Indra, Sandipa; Guchhait, Biswajit; Biswas, Ranjit

2016-03-01

We have performed steady state UV-visible absorption and time-resolved fluorescence measurements and computer simulations to explore the cosolvent mole fraction induced changes in structural and dynamical properties of water/dioxane (Diox) and water/tetrahydrofuran (THF) binary mixtures. Diox is a quadrupolar solvent whereas THF is a dipolar one although both are cyclic molecules and represent cycloethers. The focus here is on whether these cycloethers can induce stiffening and transition of water H-bond network structure and, if they do, whether such structural modification differentiates the chemical nature (dipolar or quadrupolar) of the cosolvent molecules. Composition dependent measured fluorescence lifetimes and rotation times of a dissolved dipolar solute (Coumarin 153, C153) suggest cycloether mole-fraction (XTHF/Diox) induced structural transition for both of these aqueous binary mixtures in the 0.1 ≤ XTHF/Diox ≤ 0.2 regime with no specific dependence on the chemical nature. Interestingly, absorption measurements reveal stiffening of water H-bond structure in the presence of both the cycloethers at a nearly equal mole-fraction, XTHF/Diox ˜ 0.05. Measurements near the critical solution temperature or concentration indicate no role for the solution criticality on the anomalous structural changes. Evidences for cycloether aggregation at very dilute concentrations have been found. Simulated radial distribution functions reflect abrupt changes in respective peak heights at those mixture compositions around which fluorescence measurements revealed structural transition. Simulated water coordination numbers (for a dissolved C153) and number of H-bonds also exhibit minima around these cosolvent concentrations. In addition, several dynamic heterogeneity parameters have been simulated for both the mixtures to explore the effects of structural transition and chemical nature of cosolvent on heterogeneous dynamics of these systems. Simulated four-point dynamic susceptibility suggests formation of clusters inducing local heterogeneity in the solution structure.

Simultaneous control of emission localization and two-photon absorption efficiency in dissymmetrical chromophores

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tretiak, Sergei

2009-01-01

The aim of the present work is to demonstrate that combined spectral tuning of fluorescence and two-photon absorption (TPA) properties of multipolar chromophores can be achieved by introduction of slight electronic chemical dissymmetry. In that perspective, two novel series of structurally related chromophores have been designed and studied: a first series based on rod-like quadrupolar chromophores bearing different electron-donating (D) end groups and a second series based on three-branched octupolar chromophores built from a trigonal donating moiety and bearing various acceptor (A) peripheral groups. The influence of the electronic dissymmetry is investigated by combined experimental and theoretical studies of themore » linear and nonlinear optical properties of dissymmetric chromophores compared to their symmetrical counterparts. In both types of systems (i.e. quadrupoles and octupoles) experiments and theory reveal that excitation is essentially delocalized and that excitation involves synchronized charge redistribution between the different D and A moieties within the multipolar structure (i.e. concerted intramolecular charge transfer). In contrast, the emission stems only from a particular dipolar subunit bearing the strongest D or A moieties due to fast excitation localization after excitation prior to emission. Hence control of emission characteristics (polarization and emission spectrum) in addition to localization can be achieved by controlled introduction of electronic dissymmetry (i.e. replacement of one of the D or A end-groups by a slightly stronger D{prime} or A{prime} units). Interestingly dissymmetrical functionalization of both quadrupolar and octupolar compounds does not lead to significant loss in TPA responses and can even be beneficial due to the spectral broadening and peak position tuning that it allows. This study thus reveals an original molecular engineering route strategy allowing major TPA enhancement in multipolar structures due to concerted multidimensional ICT while providing for spatial control of emission localization. Such route could be extended to more intricate (dendritic) and multipolar systems (3D).« less

Microsolvation of the 5-hydroxyindole cation (5HI+) with nonpolar and quadrupolar ligands: Infrared photodissociation spectra of 5HI+-Ln clusters with L = Ar and N2 (n ≤ 3)

NASA Astrophysics Data System (ADS)

Klyne, Johanna; Dopfer, Otto

2017-07-01

Solvation of biomolecules and their building blocks has a strong influence on their structure and function. Herein we characterize the initial microsolvation of the 5-hydroxyindole cation (5HI+) in its 2A″ ground electronic state with nonpolar and quadrupolar ligands (L = Ar, N2) by infrared photodissociation (IRPD) spectroscopy of cold and mass-selected 5HI+-Ln (n ≤ 3) clusters in a molecular beam and dispersion-corrected density functional theory calculations (B3LYP-D3/aug-cc-pVTZ). The isomer-selective OH and NH stretch frequency shifts (ΔνOH/NH) disentangle the competition between H-bonding to the acidic OH and NH groups and π-stacking to the conjugated bicyclic aromatic π-electron system, the intermolecular interaction strengths, and the cluster growth sequence. For 5HI+-Arn, H-bonding and π-stacking strongly compete, indicating that dispersion forces are important for the interaction of 5HI+ with nonpolar ligands. In contrast, for 5HI+-(N2)n clusters, the H-bonds are much stronger than the π-bonds and largely determine the initial solvation process. In all clusters, the OH…L bonds are stronger than the NH…L bonds followed by the π-bonds. The interaction of 5HI+ with N2 is roughly twice stronger than with Ar, mainly due to the additional quadrupole moment of N2. The nature and strength of the individual interactions are quantified by the noncovalent interaction approach. Comparison of 5HI+-L with the corresponding neutral clusters reveals the strong impact of ionization on the total and relative interaction strengths of the H-bonds and π-bonds. In addition, comparison of 5HI+-L with corresponding clusters of the phenol, indole, and pyrrole radical cations illustrates the effects of substitution of functional groups and the addition of aromatic rings to the various subunits of 5HI on the intermolecular potential.

Development of solid-state NMR techniques for the characterisation of pharmaceutical compounds

NASA Astrophysics Data System (ADS)

Tatton, Andrew S.

Structural characterisation in the solid state is an important step in understanding the physical and chemical properties of a material. Solid-state NMR techniques applied to solid delivery forms are presented as an alternative to more established structural characterisation methods. The effect of homonuclear decoupling upon heteronuclear couplings is investigated using a combination of experimental and density-matrix simulation results acquired from a 13C-1H spinecho pulse sequence, modulated by scalar couplings. It is found that third-order cross terms under MAS and homonuclear decoupling contribute to strong dephasing effects in the NMR signal. Density-matrix simulations allow access to parameters currently unattainable in experiment, and demonstrate that higher homonuclear decoupling rf nutation frequencies reduce the magnitude of third-order cross terms. 15N-1H spinecho experiments were applied to pharmaceutically relevant samples to differentiate between the number of directly attached protons. Using this method, proton transfer in an acid-base reaction is proven in pharmaceutical salts. The indirect detection of 14N lineshapes via protons obtained using 2D 14N-1H HMQC experiments is presented, where coherence transfer is achieved via heteronuclear through-space dipolar couplings. The importance of fast MAS frequencies is demonstrated, and it is found that increasing the recoupling duration reveals longer range NH proximities. The 2D 14N-1H HMQC method is used to demonstrate the presence of specific hydrogen bonding interactions, and thus aid in identifying molecular association in a cocrystal and an amorphous dispersion. In addition, hydrogen bonding motifs were identified by observing the changes in the 14N quadrupolar parameters between individual molecular components relative to the respective solid delivery form. First-principles calculations of NMR chemical shifts and quadrupolar parameters using the GIPAW method were combined with 14N-1H experimental results to assist with spectral assignment and the identification of the hydrogen bonding interactions.

Beyond the Förster formulation for resonance energy transfer: the role of dark states.

PubMed

Sissa, C; Manna, A K; Terenziani, F; Painelli, A; Pati, S K

2011-07-28

Resonance Energy Transfer (RET) is investigated in pairs of charge-transfer (CT) chromophores. CT chromophores are an interesting class of π conjugated chromophores decorated with one or more electron-donor and acceptor groups in polar (D-π-A), quadrupolar (D-π-A-π-D or A-π-D-π-A) or octupolar (D(-π-A)(3) or A(-π-D)(3)) structures. Essential-state models accurately describe low-energy linear and nonlinear spectra of CT-chromophores and proved very useful to describe spectroscopic effects of electrostatic interchromophore interactions in multichromophoric assemblies. Here we apply the same approach to describe RET between CT-chromophores. The results are quantitatively validated by an extensive comparison with time-dependent density functional theory (TDDFT) calculations, confirming that essential-state models offer a simple and reliable approach for the calculation of electrostatic interchromophore interactions. This is an important result since it sets the basis for more refined treatments of RET: essential-state models are in fact easily extended to account for molecular vibrations in truly non-adiabatic approaches and to account for inhomogeneous broadening effects due to polar solvation. Optically forbidden (dark) states of quadrupolar and octupolar chromophores offer an interesting opportunity to verify the reliability of the dipolar approximation. In striking contrast with the dipolar approximation that strictly forbids RET towards or from dark states, our results demonstrate that dark states can take an active role in RET with interaction energies that, depending on the relative orientation of the chromophores, can be even larger than those relevant to allowed states. Essential-state models, whose predictions are quantitatively confirmed by TDDFT results, allow us to relate RET interaction energies towards allowed and dark states to the supramolecular symmetry of the RET-pair, offering reliable design strategies to optimize RET-interactions. This journal is © the Owner Societies 2011

A combined solid-state NMR and X-ray crystallography study of the bromide ion environments in triphenylphosphonium bromides.

PubMed

Burgess, Kevin M N; Korobkov, Ilia; Bryce, David L

2012-04-27

Multinuclear ((31)P and (79/81)Br), multifield (9.4, 11.75, and 21.1 T) solid-state nuclear magnetic resonance experiments are performed for seven phosphonium bromides bearing the triphenylphosphonium cation, a molecular scaffold found in many applications in chemistry. This is undertaken to fully characterise their bromine electric field gradient (EFG) tensors, as well as the chemical shift (CS) tensors of both the halogen and the phosphorus nuclei, providing a rare and novel insight into the local electronic environments surrounding them. New crystal structures, obtained from single-crystal X-ray diffraction, are reported for six compounds to aid in the interpretation of the NMR data. Among them is a new structure of BrPPh(4), because the previously reported one was inconsistent with our magnetic resonance data, thereby demonstrating how NMR data of non-standard nuclei can correct or improve X-ray diffraction data. Our results indicate that, despite sizable quadrupolar interactions, (79/81)Br magnetic resonance spectroscopy is a powerful characterisation tool that allows for the differentiation between chemically similar bromine sites, as shown through the range in the characteristic NMR parameters. (35/37)Cl solid-state NMR data, obtained for an analogous phosphonium chloride sample, provide insight into the relationship between unit cell volume, nuclear quadrupolar coupling constants, and Sternheimer antishielding factors. The experimental findings are complemented by gauge-including projector-augmented wave (GIPAW) DFT calculations, which substantiate our experimentally determined strong dependence of the largest component of the bromine CS tensor, δ(11), on the shortest Br-P distance in the crystal structure, a finding that has possible application in the field of NMR crystallography. This trend is explained in terms of Ramsey's theory on paramagnetic shielding. Overall, this work demonstrates how careful NMR studies of underexploited exotic nuclides, such as (79/81)Br, can afford insights into structure and bonding environments in the solid state. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthetic routes to a nanoscale inorganic cluster [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15} evaluated by solid-state {sup 71}Ga NMR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hammann, Blake A.; Marsh, David A.; Ma, Zayd L.

Solid-state {sup 71}Ga NMR was used to characterize a series of [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15} “Ga{sub 13}” molecular clusters synthesized by multiple methods. These molecular clusters are precursors to thin film electronics and may be employed in energy applications. The synthetic routes provide varying levels of impurities in the solid phase, and these impurities often elude traditional characterization techniques such as powder X-ray diffraction and Raman spectroscopy. Solid-state NMR can provide a window into the gallium species even in amorphous phases. This information is vital in order to prevent the impurities from causing defect sitesmore » in the corresponding thin films upon gelation and condensation (polymerization) of the Ga{sub 13} clusters. This work demonstrates the resolving power of solid-state NMR to evaluate structure and synthetic quality in the solid state, and the application of high-field NMR to study quadrupolar species, such as {sup 71}Ga. - Graphical abstract: The various synthetic routes and {sup 71}Ga solid-state NMR spectra of the nanoscale inorganic cluster [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15}. - Highlights: • Solid-state {sup 71}Ga NMR of hydroxo-aquo metal clusters and the impurities present. • High-field NMR capability allows for quadrupolar species, such as {sup 71}Ga, to be routinely studied. • Efficient and environmentally friendly synthetic routes have been developed to prepare hydroxo-aquo metal clusters.« less

Spatial reorientation experiments for NMR of solids and partially oriented liquids.

PubMed

Martin, Rachel W; Kelly, John E; Collier, Kelsey A

2015-11-01

Motional reorientation experiments are extensions of Magic Angle Spinning (MAS) where the rotor axis is changed in order to average out, reintroduce, or scale anisotropic interactions (e.g. dipolar couplings, quadrupolar interactions or chemical shift anisotropies). This review focuses on Variable Angle Spinning (VAS), Switched Angle Spinning (SAS), and Dynamic Angle Spinning (DAS), all of which involve spinning at two or more different angles sequentially, either in successive experiments or during a multidimensional experiment. In all of these experiments, anisotropic terms in the Hamiltonian are scaled by changing the orientation of the spinning sample relative to the static magnetic field. These experiments vary in experimental complexity and instrumentation requirements. In VAS, many one-dimensional spectra are collected as a function of spinning angle. In SAS, dipolar couplings and/or chemical shift anisotropies are reintroduced by switching the sample between two different angles, often 0° or 90° and the magic angle, yielding a two-dimensional isotropic-anisotropic correlation spectrum. Dynamic Angle Spinning (DAS) is a related experiment that is used to simultaneously average out the first- and second-order quadrupolar interactions, which cannot be accomplished by spinning at any unique rotor angle in physical space. Although motional reorientation experiments generally require specialized instrumentation and data analysis schemes, some are accessible with only minor modification of standard MAS probes. In this review, the mechanics of each type of experiment are described, with representative examples. Current and historical probe and coil designs are discussed from the standpoint of how each one accomplishes the particular objectives of the experiment(s) it was designed to perform. Finally, applications to inorganic materials and liquid crystals, which present very different experimental challenges, are discussed. The review concludes with perspectives on how motional reorientation experiments can be applied to current problems in chemistry, molecular biology, and materials science, given the many advances in high-field NMR magnets, fast spinning, and sample preparation realized in recent years. Copyright © 2015 Elsevier B.V. All rights reserved.

Product operator descriptions of INEPT and RINEPT NMR spectroscopies for ISn (I=1/2, S=3/2) spin systems.

PubMed

Tokatli, Ahmet; Gençten, Azmi; Sahin, Mükerrem; Tezel, Ozden; Bahçeli, Semiha

2004-07-01

The product operator descriptions of INEPT and reverse INEPT (RINEPT) NMR experiments are introduced for weakly coupled ISn (I=1/2, S=3/2 with n=1,2,3) spin systems. Explicit expressions for polarization transfer from spin-3/2 quadrupolar nuclei to spin-1/2 nuclei (and reversed polarization transfer) are given in detail by using the evolutions of product operators under the spin-spin coupling Hamiltonian. The results calculated for the intensities and positions of the observable signals are simulated in the molecules containing the 119Sn (I=1/2) and 35Cl (S=3/2) nuclei at the coupling constant of J(Sn-Cl)=375 Hz by using the Maple programme on computer.

Product operator descriptions of INEPT and RINEPT NMR spectroscopies for ISn ( I=1/2, S=3/2) spin systems

NASA Astrophysics Data System (ADS)

Tokatlı, Ahmet; Gençten, Azmi; Şahin, Mükerrem; Tezel, Özden; Bahçeli, Semiha

2004-07-01

The product operator descriptions of INEPT and reverse INEPT (RINEPT) NMR experiments are introduced for weakly coupled ISn ( I=1/2, S=3/2 with n=1,2,3) spin systems. Explicit expressions for polarization transfer from spin-3/2 quadrupolar nuclei to spin-1/2 nuclei (and reversed polarization transfer) are given in detail by using the evolutions of product operators under the spin-spin coupling Hamiltonian. The results calculated for the intensities and positions of the observable signals are simulated in the molecules containning the 119Sn ( I=1/2) and 35Cl ( S=3/2) nuclei at the coupling constant of JSn-Cl=375 Hz by using the Maple programme on computer.

On the nitrogen-induced far-infrared absorption spectra

NASA Technical Reports Server (NTRS)

Dore, P.; Filabozzi, A.

1987-01-01

The rototranslational absorption spectrum of gaseous N2 is analyzed, considering quadrupolar and hexadecapolar induction mechanisms. The available experimental data are accounted for by using a line-shape analysis in which empirical profiles describe the single-line translational profiles. Thus, a simple procedure is derived that allows the prediction of the N2 spectrum at any temperature. On the basis of the results obtained for the pure gas, a procedure to compute the far-infrared spectrum of the N2-Ar gaseous mixture is also proposed. The good agreement between computed and experimental N2-Ar data indicates that it is possible to predict the far-infrared absorption induced by N2 on the isotropic polarizability of any interacting partner.

Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, Herman

2016-09-01

Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2, 5/2, 7/2, and 9/2. These results may be used to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Applications of NQR methods to studies of electronic structure in heavy element systems are proposed. This material is based upon work supported by the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences, Heavy Element Chemistrymore » program.« less

Phase transition in the spin- 3 / 2 Blume-Emery-Griffiths model with antiferromagnetic second neighbor interactions

NASA Astrophysics Data System (ADS)

Yezli, M.; Bekhechi, S.; Hontinfinde, F.; EZ-Zahraouy, H.

2016-04-01

Two nonperturbative methods such as Monte-Carlo simulation (MC) and Transfer-Matrix Finite-Size-Scaling calculations (TMFSS) have been used to study the phase transition of the spin- 3 / 2 ​Blume-Emery-Griffiths model (BEG) with quadrupolar and antiferromagnetic next-nearest-neighbor exchange interactions. Ground state and finite temperature phase diagrams are obtained by means of these two methods. New degenerate phases are found and only second order phase transitions occur for all values of the parameter interactions. No sign of the intermediate phase is found from both methods. Critical exponents are also obtained from TMFSS calculations. Ising criticality and nonuniversal behaviors are observed depending on the strength of the second neighbor interaction.

Spontaneous formation of electric current sheets and the origin of solar flares

NASA Technical Reports Server (NTRS)

Low, B. C.; Wolfson, R.

1988-01-01

It is demonstrated that the continuous boundary motion of a sheared magnetic field in a tenuous plasma with an infinite electrical conductivity can induce the formation of multiple electric current sheets in the interior plasma. In response to specific footpoint displacements, the quadrupolar magnetic field considered is shown to require the formation of multiple electric current sheets as it achieves a force-free state. Some of the current sheets are found to be of finite length, running along separatrix lines of force which separate lobes of magnetic flux. It is suggested that current sheets in the form of infinitely thin magnetic shear layers may be unstable to resistive tearing, a process which may have application to solar flares.

Experimental verification of the role of electron pressure in fast magnetic reconnection with a guide field

DOE PAGES

Fox, W.; Sciortino, F.; v. Stechow, A.; ...

2017-03-21

We report detailed laboratory observations of the structure of a reconnection current sheet in a two-fluid plasma regime with a guide magnetic field. We observe and quantitatively analyze the quadrupolar electron pressure variation in the ion-diffusion region, as originally predicted by extended magnetohydrodynamics simulations. The projection of the electron pressure gradient parallel to the magnetic field contributes significantly to balancing the parallel electric field, and the resulting cross-field electron jets in the reconnection layer are diamagnetic in origin. Furthermore, these results demonstrate how parallel and perpendicular force balance are coupled in guide field reconnection and confirm basic theoretical models ofmore » the importance of electron pressure gradients for obtaining fast magnetic reconnection.« less

Photodynamic therapy and two-photon bio-imaging applications of hydrophobic chromophores through amphiphilic polymer delivery.

PubMed

Gallavardin, Thibault; Maurin, Mathieu; Marotte, Sophie; Simon, Timea; Gabudean, Ana-Maria; Bretonnière, Yann; Lindgren, Mikael; Lerouge, Frédéric; Baldeck, Patrick L; Stéphan, Olivier; Leverrier, Yann; Marvel, Jacqueline; Parola, Stéphane; Maury, Olivier; Andraud, Chantal

2011-07-01

The synthesis and photophysical properties of two lipophilic quadrupolar chromophores featuring anthracenyl (1) or dibromobenzene (2) were described. These two chromophores combined significant two-photon absorption cross-sections with high fluorescence quantum yield for 1 and improved singlet oxygen generation efficiency for 2, in organic solvents. The use of Pluronic nanoparticles allowed a simple and straightforward introduction of these lipophilic chromophores into biological cell media. Their internal distribution in various cell lines was studied using fluorescence microscopy and flow-cytometry following a successful staining that was achieved upon 2 h of incubation. Finally, multiphoton excitation microscopy and photodynamic therapy capability of the chromophores were demonstrated by cell exposure to a 820 nm fs laser and cell death upon one photon resonant irradiation at 436 ± 10 nm, respectively.

Enhancing nuclear quadrupole resonance (NQR) signature detection leveraging interference suppression algorithms

NASA Astrophysics Data System (ADS)

DeBardelaben, James A.; Miller, Jeremy K.; Myrick, Wilbur L.; Miller, Joel B.; Gilbreath, G. Charmaine; Bajramaj, Blerta

2012-06-01

Nuclear quadrupole resonance (NQR) is a radio frequency (RF) magnetic spectroscopic technique that has been shown to detect and identify a wide range of explosive materials containing quadrupolar nuclei. The NQR response signal provides a unique signature of the material of interest. The signal is, however, very weak and can be masked by non-stationary RF interference (RFI) and thermal noise, limiting detection distance. In this paper, we investigate the bounds on the NQR detection range for ammonium nitrate. We leverage a low-cost RFI data acquisition system composed of inexpensive B-field sensing and commercial-off-the-shelf (COTS) software-defined radios (SDR). Using collected data as RFI reference signals, we apply adaptive filtering algorithms to mitigate RFI and enable NQR detection techniques to approach theoretical range bounds in tactical environments.

First laboratory detection of an absorption line of the first overtone electric quadrupolar band of N2 by CRDS near 2.2 μm

NASA Astrophysics Data System (ADS)

Čermák, P.; Vasilchenko, S.; Mondelain, D.; Kassi, S.; Campargue, A.

2017-01-01

The extremely weak 2-0 O(14) electric quadrupole transition of N2 has been detected by very high sensitivity Cavity Ring Down spectroscopy near 4518 cm-1. It is the first N2 absorption line in the first overtone band reported so far from laboratory experiments. By combining a feedback narrowed Distributed Feedback laser diode with a passive cell tracking technique, a limit of detection of αmin ∼ 1.2 × 10-11 cm-1 was achieved after one day of spectra averaging. The N2 2-0 O(14) line position and line intensity (about 1.5 × 10-30 cm/molecule) agree with calculated values provided in the HITRAN2012 database.

Structural characterization of phospholipids by matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry.

PubMed

Marto, J A; White, F M; Seldomridge, S; Marshall, A G

1995-11-01

Matrix-assisted laser desorption/ionization (MALDI) Fourier transform ion cyclotron resonance mass spectrometry provides for structural analysis of the principal biological phospholipids: glycerophosphatidylcholine, -ethanolamine, -serine, and -inositol. Both positive and negative molecular or quasimolecular ions are generated in high abundance. Isolated molecular ions may be collisionally activated in the source side of a dual trap mass analyzer, yielding fragments serving to identify the polar head group (positive ion mode) and fatty acid side chains (negative ion mode). Azimuthal quadrupolar excitation following collisionally activated dissociation refocuses productions close to the solenoid axis; subsequent transfer of product ions to the analyzer ion trap allows for high-resolution mass analysis. Cyro-cooling of the sample probe with liquid nitrogen greatly reduces matrix adduction encountered in the negative ion mode.

Adhesion of osteoblasts to a nanorough titanium implant surface

PubMed Central

Gongadze, Ekaterina; Kabaso, Doron; Bauer, Sebastian; Slivnik, Tomaž; Schmuki, Patrik; van Rienen, Ursula; Iglič, Aleš

2011-01-01

This work considers the adhesion of cells to a nanorough titanium implant surface with sharp edges. The basic assumption was that the attraction between the negatively charged titanium surface and a negatively charged osteoblast is mediated by charged proteins with a distinctive quadrupolar internal charge distribution. Similarly, cation-mediated attraction between fibronectin molecules and the titanium surface is expected to be more efficient for a high surface charge density, resulting in facilitated integrin mediated osteoblast adhesion. We suggest that osteoblasts are most strongly bound along the sharp convex edges or spikes of nanorough titanium surfaces where the magnitude of the negative surface charge density is the highest. It is therefore plausible that nanorough regions of titanium surfaces with sharp edges and spikes promote the adhesion of osteoblasts. PMID:21931478

FOKKER-PLANCK ANALYSIS OF TRANSVERSE COLLECTIVE INSTABILITIES IN ELECTRON STORAGE RINGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lindberg, R. R.

We analyze single bunch transverse instabilities due to wakefields using a Fokker-Planck model. We expand on the work of Suzuki [1], writing out the linear matrix equation including chromaticity, both dipolar and quadrupolar transverse wakefields, and the effects of damping and diffusion due to the synchrotron radiation. The eigenvalues and eigenvectors determine the collective stability of the beam, and we show that the predicted threshold current for transverse instability and the profile of the unstable agree well with tracking simulations. In particular, we find that predicting collective stability for high energy electron beams at moderate to large values of chromaticitymore » requires the full Fokker-Planck analysis to properly account for the effects of damping and diffusion due to synchrotron radiation.« less

Unusual Phase Diagram of CeOs 4Sb 12

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ho, P. -C.; Goddard, P. A.; Maple, M. B.

2017-03-01

Filled skutterudite compounds, with the formula MT 4X 12, where M is an alkali metal, alkaline-earth, lanthanide, or actinide, T is Fe, Ru, or Os, and X is P, As, or Sb, display a wide variety of interesting phenomena caused by strong electron correlations [1]. Among these, the three compounds CeOs 4Sb 12, PrOs 4Sb 12, and NdOs 4Sb 12, formed by employing Periodic Table neighbors for M, span the range from an antiferromagnetic (AFM) semimetal (M = Ce) via a 1.85 K unconventional (quadrupolar-fluctuation mediated) superconductor (M = Pr) to a 1 K ferromagnet (FM; M = Nd). Inmore » the course of an extended study of these compounds, we uncovered an unusual phase diagram for CeOs 4Sb 12.« less

Local nematic susceptibility in stressed BaFe2As2 from NMR electric field gradient measurements

NASA Astrophysics Data System (ADS)

Kissikov, T.; Sarkar, R.; Lawson, M.; Bush, B. T.; Timmons, E. I.; Tanatar, M. A.; Prozorov, R.; Bud'ko, S. L.; Canfield, P. C.; Fernandes, R. M.; Goh, W. F.; Pickett, W. E.; Curro, N. J.

2017-12-01

The electric field gradient (EFG) tensor at the 75As site couples to the orbital occupations of the As p orbitals and is a sensitive probe of local nematicity in BaFe2As2 . We use nuclear magnetic resonance to measure the nuclear quadrupolar splittings and find that the EFG asymmetry responds linearly to the presence of a strain field in the paramagnetic phase. We extract the nematic susceptibility from the slope of this linear response as a function of temperature and find that it diverges near the structural transition, in agreement with other measures of the bulk nematic susceptibility. Our work establishes an alternative method to extract the nematic susceptibility which, in contrast to transport methods, can be extended inside the superconducting state.

Beyond CMB cosmic variance limits on reionization with the polarized Sunyaev-Zel'dovich effect

NASA Astrophysics Data System (ADS)

Meyers, Joel; Meerburg, P. Daniel; van Engelen, Alexander; Battaglia, Nicholas

2018-05-01

Upcoming cosmic microwave background (CMB) surveys will soon make the first detection of the polarized Sunyaev-Zel'dovich effect, the linear polarization generated by the scattering of CMB photons on the free electrons present in collapsed objects. Measurement of this polarization along with knowledge of the electron density of the objects allows a determination of the quadrupolar temperature anisotropy of the CMB as viewed from the space-time location of the objects. Maps of these remote temperature quadrupoles have several cosmological applications. Here we propose a new application: the reconstruction of the cosmological reionization history. We show that with quadrupole measurements out to redshift 3, constraints on the mean optical depth can be improved by an order of magnitude beyond the CMB cosmic variance limit.

Correlations of low-field NMR and variable-field NMR parameters with osteoarthritis in human articular cartilage under load.

PubMed

Rössler, Erik; Mattea, Carlos; Saarakkala, Simo; Lehenkari, Petri; Finnilä, Mikko; Rieppo, Lassi; Karhula, Sakari; Nieminen, Miika T; Stapf, Siegfried

2017-08-01

NMR experiments carried out at magnetic fields below 1 T provide new relaxation parameters unavailable with conventional clinical scanners. Contrast of T 1 generally becomes larger towards low fields, as slow molecular reorientation processes dominate relaxation at the corresponding Larmor frequencies. This advantage has to be considered in the context of lower sensitivity and frequently reduced spatial resolution. The layered structure of cartilage is one example where a particularly strong variation of T 1 across the tissue occurs, being affected by degenerative diseases such as osteoarthritis (OA). Furthermore, the presence of 1 H- 14  N cross-relaxation, leading to so-called quadrupolar dips in the 1 H relaxation time dispersion, provide insight into the concentration and mobility of proteoglycans and collagen in cartilage, both being affected by OA. In this study, low-field imaging and variable-field NMR relaxometry were combined for the first time for tissue samples, employing unidirectional load to probe the mechanical properties. 20 human knee cartilage samples were placed in a compression cell, and studied by determining relaxation profiles without and with applied pressure (0.6 MPa) at 50 μm in-plane resolution, and comparing with volume-averaged T 1 dispersion. Samples were subsequently stored in formalin, prepared for histology and graded according to the Mankin score system. Quadrupolar dips and thickness change under load showed the strongest correlation with Mankin grade. Average T 1 and change of maximum T 1 under load, as well as its position, correlate with thickness and thickness change. Furthermore, T 1 (ω) above 25 mT was found to correlate with thickness change. While volume-averaged T 1 is not a suitable indicator for OA, its change due to mechanical load and its extreme values are suggested as biomarkers available in low-field MRI systems. The shape of the dispersion T 1 (ω) represents a promising access to understanding and quantifying molecular dynamics in tissue, pointing toward future in vivo tissue studies. Copyright © 2017 John Wiley & Sons, Ltd.

Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. II. Local field effects and optical susceptibilitities.

PubMed

Reis, H; Papadopoulos, M G; Grzybowski, A

2006-09-21

This is the second part of a study to elucidate the local field effects on the nonlinear optical properties of p-nitroaniline (pNA) in three solvents of different multipolar character, that is, cyclohexane (CH), 1,4-dioxane (DI), and tetrahydrofuran (THF), employing a discrete description of the solutions. By the use of liquid structure information from molecular dynamics simulations and molecular properties computed by high-level ab initio methods, the local field and local field gradients on p-nitroaniline and the solvent molecules are computed in quadrupolar approximation. To validate the simulations and the induction model, static and dynamic (non)linear properties of the pure solvents are also computed. With the exception of the static dielectric constant of pure THF, a good agreement between computed and experimental refractive indices, dielectric constants, and third harmonic generation signals is obtained for the solvents. For the solutions, it is found that multipole moments up to two orders higher than quadrupole have a negligible influence on the local fields on pNA, if a simple distribution model is employed for the electric properties of pNA. Quadrupole effects are found to be nonnegligible in all three solvents but are especially pronounced in the 1,4-dioxane solvent, in which the local fields are similar to those in THF, although the dielectric constant of DI is 2.2 and that of the simulated THF is 5.4. The electric-field-induced second harmonic generation (EFISH) signal and the hyper-Rayleigh scattering signal of pNA in the solutions computed with the local field are in good to fair agreement with available experimental results. This confirms the effect of the "dioxane anomaly" also on nonlinear optical properties. Predictions based on an ellipsoidal Onsager model as applied by experimentalists are in very good agreement with the discrete model predictions. This is in contrast to a recent discrete reaction field calculation of pNA in 1,4-dioxane, which found that the predicted first hyperpolarizability of pNA deviated strongly from the predictions obtained using Onsager-Lorentz local field factors.

Hall effect and fine structures in magnetic reconnection with high plasma {beta}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, S.P.; Yang, H.A.; Wang, X.G.

2005-04-15

Magnetic reconnection with various plasma {beta} (the ratio of plasma pressure to the magnetic pressure) is studied numerically using a 2.5 dimensional Hall magnetohydrodynamics (MHD) code developed from a multistep implicit scheme. The initial state of the Hall MHD simulation is an equilibrium Harris sheet with L{sub c}=0.5d{sub i} (where L{sub c} is the half-width of the equilibrium current layer and d{sub i} is the ion inertial length) and a zero guide field (i.e., B{sub y0}=0 at t=0). Driven by a constant boundary inflow a quasisteady fast reconnection occurs in the plasma with a low uniform resistivity. The out-of-plane magneticmore » field component B{sub y} is then spontaneously generated and its quadrupolar structure is shown around the X point. It is demonstrated by the comparing studies that the reconnection dynamics is controlled by the Hall effect and the effect of scalar electron pressure gradient is negligible in the generalized Ohm's law. It is also found that the openness of the magnetic separatrix angle and associated quadrupolar B{sub y} structure is enlarged as {beta} increases. When {beta}>2.0 fine structures of B{sub y} contours with reversed sign emerge. The numerical results indicate that the variations in electron velocity V{sub e} are greater than those in ion velocity V{sub i} and the decoupling of electron and ion occurs in larger scale lengths than d{sub i} as {beta} increases. Clearly, the reserve current, which is associated with the relative motion between electrons and ions, generates the fine structures of B{sub y} contours in the outflow region. Then the corresponding profile of B{sub y} component exhibits a static whistler wave signature. Enhanced wave activities observed during a Cluster crossing of the high-{beta} exterior cusp region [Y. Khotyaintsev, A. Vaivads, Y. Ogawa, B. Popielawska, M. Andre, S. Buchert, P. Decreau, B. Lavraud, and H. Reme, Ann. Geophys. 22, 2403 (2004)] might be related to the Hall effects of magnetic reconnection shown in the present simulation.« less

Robust vortex lines, vortex rings, and hopfions in three-dimensional Bose-Einstein condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bisset, R. N.; Wang, Wenlong; Ticknor, Christopher

Performing a systematic Bogoliubov–de Gennes spectral analysis, we illustrate that stationary vortex lines, vortex rings, and more exotic states, such as hopfions, are robust in three-dimensional atomic Bose-Einstein condensates, for large parameter intervals. Importantly, we find that the hopfion can be stabilized in a simple parabolic trap, without the need for trap rotation or inhomogeneous interactions. We supplement our spectral analysis by studying the dynamics of such stationary states; we find them to be robust against significant perturbations of the initial state. In the unstable regimes, we not only identify the unstable mode, such as a quadrupolar or hexapolar mode,more » but we also observe the corresponding instability dynamics. Moreover, deep in the Thomas-Fermi regime, we investigate the particlelike behavior of vortex rings and hopfions.« less

Robust vortex lines, vortex rings, and hopfions in three-dimensional Bose-Einstein condensates

DOE PAGES

Bisset, R. N.; Wang, Wenlong; Ticknor, Christopher; ...

2015-12-07

Performing a systematic Bogoliubov–de Gennes spectral analysis, we illustrate that stationary vortex lines, vortex rings, and more exotic states, such as hopfions, are robust in three-dimensional atomic Bose-Einstein condensates, for large parameter intervals. Importantly, we find that the hopfion can be stabilized in a simple parabolic trap, without the need for trap rotation or inhomogeneous interactions. We supplement our spectral analysis by studying the dynamics of such stationary states; we find them to be robust against significant perturbations of the initial state. In the unstable regimes, we not only identify the unstable mode, such as a quadrupolar or hexapolar mode,more » but we also observe the corresponding instability dynamics. Moreover, deep in the Thomas-Fermi regime, we investigate the particlelike behavior of vortex rings and hopfions.« less

Solid-state 27Al MRI and NMR thermometry for catalytic applications with conventional (liquids) MRI instrumentation and techniques.

PubMed

Koptyug, Igor V; Sagdeev, Dmitry R; Gerkema, Edo; Van As, Henk; Sagdeev, Renad Z

2005-07-01

Multidimensional images of Al2O3 pellets, cordierite monolith, glass tube, polycrystalline V2O5 and other materials have been detected by 27Al, 51V, and 23Na NMR imaging using techniques and instrumentation conventionally employed for imaging of liquids. These results demonstrate that, contrary to the widely accepted opinion, imaging of "rigid" solids does not necessarily require utilization of solid state NMR imaging approaches, pulse sequences and hardware even for quadrupolar nuclei which exhibit line widths in excess of 100 kHz, such as 51V in polycrystalline V2O5. It is further demonstrated that both 27Al NMR signal intensity and spin-lattice relaxation time decrease with increasing temperature and thus can potentially serve as temperature sensitive parameters for spatially resolved NMR thermometry.

Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP.

PubMed

Masters, T A; Robinson, N A; Marsh, R J; Blacker, T S; Armoogum, D A; Larijani, B; Bain, A J

2018-04-07

Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment α 40 present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of α 40 to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both α 20 (quadrupolar) and α 40 transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

Foam flows through a local constriction

NASA Astrophysics Data System (ADS)

Chevalier, T.; Koivisto, J.; Shmakova, N.; Alava, M. J.; Puisto, A.; Raufaste, C.; Santucci, S.

2017-11-01

We present an experimental study of the flow of a liquid foam, composed of a monolayer of millimetric bubbles, forced to invade an inhomogeneous medium at a constant flow rate. To model the simplest heterogeneous fracture medium, we use a Hele-Shaw cell consisting of two glass plates separated by a millimetric gap, with a local constriction. This single defect localized in the middle of the cell reduces locally its gap thickness, and thus its local permeability. We investigate here the influence of the geometrical property of the defect, specifically its height, on the average steady-state flow of the foam. In the frame of the flowing foam, we can observe a clear recirculation around the obstacle, characterized by a quadrupolar velocity field with a negative wake downstream the obstacle, which intensity evolves systematically with the obstacle height.

Large-scale Distribution of Arrival Directions of Cosmic Rays Detected Above 1018 eV at the Pierre Auger Observatory

NASA Astrophysics Data System (ADS)

Pierre Auger Collaboration; Abreu, P.; Aglietta, M.; Ahlers, M.; Ahn, E. J.; Albuquerque, I. F. M.; Allard, D.; Allekotte, I.; Allen, J.; Allison, P.; Almela, A.; Alvarez Castillo, J.; Alvarez-Muñiz, J.; Alves Batista, R.; Ambrosio, M.; Aminaei, A.; Anchordoqui, L.; Andringa, S.; Antiči'c, T.; Aramo, C.; Arganda, E.; Arqueros, F.; Asorey, H.; Assis, P.; Aublin, J.; Ave, M.; Avenier, M.; Avila, G.; Badescu, A. M.; Balzer, M.; Barber, K. B.; Barbosa, A. F.; Bardenet, R.; Barroso, S. L. C.; Baughman, B.; Bäuml, J.; Baus, C.; Beatty, J. J.; Becker, K. H.; Bellétoile, A.; Bellido, J. A.; BenZvi, S.; Berat, C.; Bertou, X.; Biermann, P. L.; Billoir, P.; Blanco, F.; Blanco, M.; Bleve, C.; Blümer, H.; Boháčová, M.; Boncioli, D.; Bonifazi, C.; Bonino, R.; Borodai, N.; Brack, J.; Brancus, I.; Brogueira, P.; Brown, W. C.; Bruijn, R.; Buchholz, P.; Bueno, A.; Buroker, L.; Burton, R. E.; Caballero-Mora, K. S.; Caccianiga, B.; Caramete, L.; Caruso, R.; Castellina, A.; Catalano, O.; Cataldi, G.; Cazon, L.; Cester, R.; Chauvin, J.; Cheng, S. H.; Chiavassa, A.; Chinellato, J. A.; Chirinos Diaz, J.; Chudoba, J.; Cilmo, M.; Clay, R. W.; Cocciolo, G.; Collica, L.; Coluccia, M. R.; Conceição, R.; Contreras, F.; Cook, H.; Cooper, M. J.; Coppens, J.; Cordier, A.; Coutu, S.; Covault, C. E.; Creusot, A.; Criss, A.; Cronin, J.; Curutiu, A.; Dagoret-Campagne, S.; Dallier, R.; Daniel, B.; Dasso, S.; Daumiller, K.; Dawson, B. R.; de Almeida, R. M.; De Domenico, M.; De Donato, C.; de Jong, S. J.; De La Vega, G.; de Mello Junior, W. J. M.; de Mello Neto, J. R. T.; De Mitri, I.; de Souza, V.; de Vries, K. D.; del Peral, L.; del Río, M.; Deligny, O.; Dembinski, H.; Dhital, N.; Di Giulio, C.; Díaz Castro, M. L.; Diep, P. N.; Diogo, F.; Dobrigkeit, C.; Docters, W.; D'Olivo, J. C.; Dong, P. N.; Dorofeev, A.; dos Anjos, J. C.; Dova, M. T.; D'Urso, D.; Dutan, I.; Ebr, J.; Engel, R.; Erdmann, M.; Escobar, C. O.; Espadanal, J.; Etchegoyen, A.; Facal San Luis, P.; Falcke, H.; Fang, K.; Farrar, G.; Fauth, A. C.; Fazzini, N.; Ferguson, A. P.; Fick, B.; Figueira, J. M.; Filevich, A.; Filipčič, A.; Fliescher, S.; Fracchiolla, C. E.; Fraenkel, E. D.; Fratu, O.; Fröhlich, U.; Fuchs, B.; Gaior, R.; Gamarra, R. F.; Gambetta, S.; García, B.; Garcia Roca, S. T.; Garcia-Gamez, D.; Garcia-Pinto, D.; Garilli, G.; Gascon Bravo, A.; Gemmeke, H.; Ghia, P. L.; Giller, M.; Gitto, J.; Glass, H.; Gold, M. S.; Golup, G.; Gomez Albarracin, F.; Gómez Berisso, M.; Gómez Vitale, P. F.; Gonçalves, P.; Gonzalez, J. G.; Gookin, B.; Gorgi, A.; Gouffon, P.; Grashorn, E.; Grebe, S.; Griffith, N.; Grillo, A. F.; Guardincerri, Y.; Guarino, F.; Guedes, G. P.; Hansen, P.; Harari, D.; Harrison, T. A.; Harton, J. L.; Haungs, A.; Hebbeker, T.; Heck, D.; Herve, A. E.; Hill, G. C.; Hojvat, C.; Hollon, N.; Holmes, V. C.; Homola, P.; Hörandel, J. R.; Horvath, P.; Hrabovský, M.; Huber, D.; Huege, T.; Insolia, A.; Ionita, F.; Italiano, A.; Jansen, S.; Jarne, C.; Jiraskova, S.; Josebachuili, M.; Kadija, K.; Kampert, K. H.; Karhan, P.; Kasper, P.; Katkov, I.; Kégl, B.; Keilhauer, B.; Keivani, A.; Kelley, J. L.; Kemp, E.; Kieckhafer, R. M.; Klages, H. O.; Kleifges, M.; Kleinfeller, J.; Knapp, J.; Koang, D.-H.; Kotera, K.; Krohm, N.; Krömer, O.; Kruppke-Hansen, D.; Kuempel, D.; Kulbartz, J. K.; Kunka, N.; La Rosa, G.; Lachaud, C.; LaHurd, D.; Latronico, L.; Lauer, R.; Lautridou, P.; Le Coz, S.; Leão, M. S. A. B.; Lebrun, D.; Lebrun, P.; Leigui de Oliveira, M. A.; Letessier-Selvon, A.; Lhenry-Yvon, I.; Link, K.; López, R.; Lopez Agüera, A.; Louedec, K.; Lozano Bahilo, J.; Lu, L.; Lucero, A.; Ludwig, M.; Lyberis, H.; Maccarone, M. C.; Macolino, C.; Maldera, S.; Maller, J.; Mandat, D.; Mantsch, P.; Mariazzi, A. G.; Marin, J.; Marin, V.; Maris, I. C.; Marquez Falcon, H. R.; Marsella, G.; Martello, D.; Martin, L.; Martinez, H.; Martínez Bravo, O.; Martraire, D.; Masías Meza, J. J.; Mathes, H. J.; Matthews, J.; Matthews, J. A. J.; Matthiae, G.; Maurel, D.; Maurizio, D.; Mazur, P. O.; Medina-Tanco, G.; Melissas, M.; Melo, D.; Menichetti, E.; Menshikov, A.; Mertsch, P.; Messina, S.; Meurer, C.; Meyhandan, R.; Mi'canovi'c, S.; Micheletti, M. I.; Minaya, I. A.; Miramonti, L.; Molina-Bueno, L.; Mollerach, S.; Monasor, M.; Monnier Ragaigne, D.; Montanet, F.; Morales, B.; Morello, C.; Moreno, E.; Moreno, J. C.; Mostafá, M.; Moura, C. A.; Muller, M. A.; Müller, G.; Münchmeyer, M.; Mussa, R.; Navarra, G.; Navarro, J. L.; Navas, S.; Necesal, P.; Nellen, L.; Nelles, A.; Neuser, J.; Nhung, P. T.; Niechciol, M.; Niemietz, L.; Nierstenhoefer, N.; Nitz, D.; Nosek, D.; Nožka, L.; Oehlschläger, J.; Olinto, A.; Ortiz, M.; Pacheco, N.; Pakk Selmi-Dei, D.; Palatka, M.; Pallotta, J.; Palmieri, N.; Parente, G.; Parizot, E.; Parra, A.; Pastor, S.; Paul, T.; Pech, M.; Peķala, J.; Pelayo, R.; Pepe, I. M.; Perrone, L.; Pesce, R.; Petermann, E.; Petrera, S.; Petrolini, A.; Petrov, Y.; Pfendner, C.; Piegaia, R.; Pierog, T.; Pieroni, P.; Pimenta, M.; Pirronello, V.; Platino, M.; Plum, M.; Ponce, V. H.; Pontz, M.; Porcelli, A.; Privitera, P.; Prouza, M.; Quel, E. J.; Querchfeld, S.; Rautenberg, J.; Ravel, O.; Ravignani, D.; Revenu, B.; Ridky, J.; Riggi, S.; Risse, M.; Ristori, P.; Rivera, H.; Rizi, V.; Roberts, J.; Rodrigues de Carvalho, W.; Rodriguez, G.; Rodriguez Cabo, I.; Rodriguez Martino, J.; Rodriguez Rojo, J.; Rodríguez-Frías, M. D.; Ros, G.; Rosado, J.; Rossler, T.; Roth, M.; Rouillé-d'Orfeuil, B.; Roulet, E.; Rovero, A. C.; Rühle, C.; Saftoiu, A.; Salamida, F.; Salazar, H.; Salesa Greus, F.; Salina, G.; Sánchez, F.; Santo, C. E.; Santos, E.; Santos, E. M.; Sarazin, F.; Sarkar, B.; Sarkar, S.; Sato, R.; Scharf, N.; Scherini, V.; Schieler, H.; Schiffer, P.; Schmidt, A.; Scholten, O.; Schoorlemmer, H.; Schovancova, J.; Schovánek, P.; Schröder, F.; Schuster, D.; Sciutto, S. J.; Scuderi, M.; Segreto, A.; Settimo, M.; Shadkam, A.; Shellard, R. C.; Sidelnik, I.; Sigl, G.; Silva Lopez, H. H.; Sima, O.; 'Smiałkowski, A.; Šmída, R.; Snow, G. R.; Sommers, P.; Sorokin, J.; Spinka, H.; Squartini, R.; Srivastava, Y. N.; Stanic, S.; Stapleton, J.; Stasielak, J.; Stephan, M.; Stutz, A.; Suarez, F.; Suomijärvi, T.; Supanitsky, A. D.; Šuša, T.; Sutherland, M. S.; Swain, J.; Szadkowski, Z.; Szuba, M.; Tapia, A.; Tartare, M.; Taşcău, O.; Tcaciuc, R.; Thao, N. T.; Thomas, D.; Tiffenberg, J.; Timmermans, C.; Tkaczyk, W.; Todero Peixoto, C. J.; Toma, G.; Tomankova, L.; Tomé, B.; Tonachini, A.; Torralba Elipe, G.; Travnicek, P.; Tridapalli, D. B.; Tristram, G.; Trovato, E.; Tueros, M.; Ulrich, R.; Unger, M.; Urban, M.; Valdés Galicia, J. F.; Valiño, I.; Valore, L.; van Aar, G.; van den Berg, A. M.; van Velzen, S.; van Vliet, A.; Varela, E.; Vargas Cárdenas, B.; Vázquez, J. R.; Vázquez, R. A.; Veberič, D.; Verzi, V.; Vicha, J.; Videla, M.; Villaseñor, L.; Wahlberg, H.; Wahrlich, P.; Wainberg, O.; Walz, D.; Watson, A. A.; Weber, M.; Weidenhaupt, K.; Weindl, A.; Werner, F.; Westerhoff, S.; Whelan, B. J.; Widom, A.; Wieczorek, G.; Wiencke, L.; Wilczyńska, B.; Wilczyński, H.; Will, M.; Williams, C.; Winchen, T.; Wommer, M.; Wundheiler, B.; Yamamoto, T.; Yapici, T.; Younk, P.; Yuan, G.; Yushkov, A.; Zamorano Garcia, B.; Zas, E.; Zavrtanik, D.; Zavrtanik, M.; Zaw, I.; Zepeda, A.; Zhou, J.; Zhu, Y.; Zimbres Silva, M.; Ziolkowski, M.

2012-12-01

A thorough search for large-scale anisotropies in the distribution of arrival directions of cosmic rays detected above 1018 eV at the Pierre Auger Observatory is presented. This search is performed as a function of both declination and right ascension in several energy ranges above 1018 eV, and reported in terms of dipolar and quadrupolar coefficients. Within the systematic uncertainties, no significant deviation from isotropy is revealed. Assuming that any cosmic-ray anisotropy is dominated by dipole and quadrupole moments in this energy range, upper limits on their amplitudes are derived. These upper limits allow us to test the origin of cosmic rays above 1018 eV from stationary Galactic sources densely distributed in the Galactic disk and predominantly emitting light particles in all directions.

Electric dipole-quadrupole hybridization induced enhancement of second-harmonic generation in T-shaped plasmonic heterodimers.

PubMed

Guo, Kai; Zhang, Yong-Liang; Qian, Cheng; Fung, Kin-Hung

2018-04-30

In this work, we demonstrate computationally that electric dipole-quadrupole hybridization (EDQH) could be utilized to enhance plasmonic SHG efficiency. To this end, we construct T-shaped plasmonic heterodimers consisting of a short and a long gold nanorod with finite element method simulation. By controlling the strength of capacitive coupling between two gold nanorods, we explore the effect of EDQH evolution on the SHG process, including the SHG efficiency enhancement, corresponding near-field distribution, and far-field radiation pattern. Simulation results demonstrate that EDQH could enhance the SHG efficiency by a factor >100 in comparison with that achieved by an isolated gold nanorod. Additionally, the far-field pattern of the SHG could be adjusted beyond the well-known quadrupolar distribution and confirms that EDQH plays an important role in the SHG process.

On the track to silica-supported tungsten oxo metathesis catalysts: input from 17O solid-state NMR.

PubMed

Merle, Nicolas; Girard, Guillaume; Popoff, Nicolas; De Mallmann, Aimery; Bouhoute, Yassine; Trébosc, Julien; Berrier, Elise; Paul, Jean-François; Nicholas, Christopher P; Del Rosal, Iker; Maron, Laurent; Gauvin, Régis M; Delevoye, Laurent; Taoufik, Mostafa

2013-09-03

The grafting of an oxo chloro trisalkyl tungsten derivative on silica dehydroxylated at 700 °C was studied by several techniques that showed reaction via W-Cl cleavage, to afford a well-defined precatalyst for alkene metathesis. This was further confirmed by DFT calculations on the grafting process. (17)O labeling of the oxo moiety of a series of related molecular and supported tungsten oxo derivatives was achieved, and the corresponding (17)O MAS NMR spectra were recorded. Combined experimental and theoretical NMR studies yielded information on the local structure of the surface species. Assessment of the (17)O NMR parameters also confirmed the nature of the grafting pathway by ruling out other possible grafting schemes, thanks to highly characteristic anisotropic features arising from the quadrupolar and chemical shift interactions.

Local nematic susceptibility in stressed BaFe 2 As 2 from NMR electric field gradient measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kissikov, T.; Sarkar, R.; Lawson, M.

The electric field gradient (EFG) tensor at the 75As site couples to the orbital occupations of the As p orbitals and is a sensitive probe of local nematicity in BaFe 2As 2. We use nuclear magnetic resonance to measure the nuclear quadrupolar splittings and find that the EFG asymmetry responds linearly to the presence of a strain field in the paramagnetic phase. We extract the nematic susceptibility from the slope of this linear response as a function of temperature and find that it diverges near the structural transition, in agreement with other measures of the bulk nematic susceptibility. In conclusion,more » our work establishes an alternative method to extract the nematic susceptibility which, in contrast to transport methods, can be extended inside the superconducting state.« less

Local nematic susceptibility in stressed BaFe 2 As 2 from NMR electric field gradient measurements

DOE PAGES

Kissikov, T.; Sarkar, R.; Lawson, M.; ...

2017-12-15

The electric field gradient (EFG) tensor at the 75As site couples to the orbital occupations of the As p orbitals and is a sensitive probe of local nematicity in BaFe 2As 2. We use nuclear magnetic resonance to measure the nuclear quadrupolar splittings and find that the EFG asymmetry responds linearly to the presence of a strain field in the paramagnetic phase. We extract the nematic susceptibility from the slope of this linear response as a function of temperature and find that it diverges near the structural transition, in agreement with other measures of the bulk nematic susceptibility. In conclusion,more » our work establishes an alternative method to extract the nematic susceptibility which, in contrast to transport methods, can be extended inside the superconducting state.« less

Evidence of "Tether-Cutting" Reconnection in the Onset of a Quadrupolar Solar Magnetic Eruption

NASA Technical Reports Server (NTRS)

Choudhary, Debi Prasad; Sterling, Alphonse C.; Moore, Ronald L.; Yurchyshyn, Vasyl

2004-01-01

Extensive study of the near-limb solar filament eruption event on 2000 February 26, involving coronal images from YOHKOH, SOHO EIT and photospheric magnetogram from MID have shown that that both "runaway-tether-cutting-type reconnection" and "fast breakout-type reconnection" may have occurred early in the fast phase of the eruption and may have played an important role in unleashing the explosion (Sterling & Moore 2004). That study did not identify which or if either of these types of reconnection actually triggered the fast phase. Here, together with a magnetogram and He1 10830 A filtergram from NSO/KP, we present Halpha filtergrams from Big Bear Solar Observatory, that show evidence of "tether-cutting-type reconnection" before and during the eruption of the southern filament, situated at one of the neutral lines of the quadrupole magnetic structure.

Probing the parameters of the HAT-P-2 system

NASA Astrophysics Data System (ADS)

Bailey, Elizabeth; Naoz, Smadar; Batygin, Konstantin

2018-04-01

The HAT-P-2 system contributes an exceptional set of parameters to the exoplanetary inventory. HAT-P-2b weighs in at approximately 9 Jupiter masses, residing on one of the most eccentric, close-in orbits of any hot Jupiter (e~0.5, a~0.07). The identification of an RV trend points to the existence of an additional, long-period companion, which may have facilitated Kozai-Lidov cycles in the system over its multi-Gyr history. The well-constrained parameters of HAT-P-2b present an opportunity to predict the parameters of the perturber, and furthermore, to assess the tidal dissipation involved in the system's evolution. In this work, we employ an octupole-level secular model to account for the interaction of the two massive planets, thus classifying the system's deviations away from purely quadrupolar dynamics.

A combined ultra-wideline solid-state NMR and DFT study of 137Ba electric field gradient tensors in barium compounds

NASA Astrophysics Data System (ADS)

O'Dell, Luke A.; Moudrakovski, Igor L.

2013-04-01

Ultra-wideline 137Ba solid-state (SS) NMR spectra have been obtained from a series of five barium compounds (BaSO4, BaMoO4, Ba(CH3COO)2, Ba(OH)2·8H2O and α-Ba2P2O7), using the broadband WURST-QCPMG pulse sequence and magnetic field of 21.1 T. The signals from the two distinct crystallographic sites in α-Ba2P2O7 are resolved, with one of them demonstrating a CQ of 42.3 ± 0.3 MHz, the largest obtained for 137Ba in a powder. The quadrupolar parameters reported in this work are in excellent agreement with the DFT calculations and correlate well with those previously reported by Hamaed et al. (2010) [24].

The Spin Relaxation of 8Li+ in Gold at Low Magnetic Field

NASA Astrophysics Data System (ADS)

MacFarlane, W. A.; Chow, K. H.; Hossain, M. D.; Karner, V. L.; Kiefl, R. F.; McFadden, R. M. L.; Morris, G. D.; Saadaoui, H.; Salman, Z.

Here we report the temperature and applied magnetic field dependence of the spin lattice relaxation of implanted into Au foil in the range 4 to 290 K and 3 to 150 G. Below about 50 G, relaxation due to the dynamic host lattice nuclear spins is important, becoming dominant below 20 G. At 150 G, this process is quenched, and the relaxation is Korringa-like. We report the first measurement of its temperature dependence which shows the characteristic features of the site change around 190 K. At lower field the relaxation is two component above 100 K and exhibits a strong peak at the site change, which we attribute to quadrupolar relaxation of the adjacent Au spins. We discuss the ingredients required for a quantitative theory of the low field relaxation.

In situ X-ray polymerization: from swollen lamellae to polymer-surfactant complexes.

PubMed

Agzenai, Yahya; Lindman, Björn; Alfredsson, Viveka; Topgaard, Daniel; Renamayor, Carmen S; Pacios, Isabel E

2014-01-30

The influence of the monomer diallyldimethylammonium chloride (D) on the lamellar liquid crystal formed by the anionic surfactant aerosol OT (AOT) and water is investigated, determining the lamellar spacings by SAXS and the quadrupolar splittings by deuterium NMR, as a function of the D or AOT concentrations. The cationic monomer D induces a destabilization of the AOT lamellar structure such that, at a critical concentration higher than 5 wt %, macroscopic phase separation takes place. When the monomer, which is dissolved in the AOT lamellae, is polymerized in situ by X-ray initiation, a new collapsed lamellar phase appears, corresponding to the complexation of the surfactant with the resulting polymer. A theoretical model is employed to analyze the variation of the interactions between the AOT bilayers and the stability of the lamellar structure.

Cavity-photon contribution to the effective interaction of electrons in parallel quantum dots

NASA Astrophysics Data System (ADS)

Gudmundsson, Vidar; Sitek, Anna; Abdullah, Nzar Rauf; Tang, Chi-Shung; Manolescu, Andrei

2016-05-01

A single cavity photon mode is expected to modify the Coulomb interaction of an electron system in the cavity. Here we investigate this phenomena in a parallel double quantum dot system. We explore properties of the closed system and the system after it has been opened up for electron transport. We show how results for both cases support the idea that the effective electron-electron interaction becomes more repulsive in the presence of a cavity photon field. This can be understood in terms of the cavity photons dressing the polarization terms in the effective mutual electron interaction leading to nontrivial delocalization or polarization of the charge in the double parallel dot potential. In addition, we find that the effective repulsion of the electrons can be reduced by quadrupolar collective oscillations excited by an external classical dipole electric field.

Narrow and Deep Fano Resonances in a Rod and Concentric Square Ring-Disk Nanostructures

PubMed Central

Huo, Yanyan; Jia, Tianqing; Zhang, Yi; Zhao, Hua; Zhang, Shian; Feng, Donghai; Sun, Zhenrong

2013-01-01

Localized surface plasmon resonances (LSPRs) in metallic nanostructures have been studied intensely in the last decade. Fano interference is an important way to decrease the resonance linewidth and enhance the spectral detection resolution, but realizing a Fano lineshape with both a narrow linewidth and high spectral contrast-ratio is still challenging. Here we propose a metallic nanostructure consisting of a concentric square ring-disk (CSRD) nanostructure and an outside nanorod. Fano linewidth and spectral contrast ratio can be actively manipulated by adjusting the gap between the nanorod and CSRD, and by adjusting the gap between the ring and disk in CSRD. When the gap size in CSRD is reduced to 5 nm, the quadrupolar Fano linewidth is of 0.025 eV, with a contrast ratio of 80%, and the figure of merit reaches 15. PMID:24064596

SMA Spectral Line Survey of the Proto-Planetary Nebula CRL 618

NASA Astrophysics Data System (ADS)

Patel, Nimesh A.; Gottlieb, Carl; Young, Ken; Kaminski, Tomasz Tomek; McCarthy, Michael; Menten, Karl; Primiani, Rurik; Lee, Chin-Fei; Gupta, Harshal

2018-01-01

Carbon-rich Asymptotic Giant Branch (AGB) stars are major sources of gas and dust in the interstellar medium. AGB stars remain in their evolutionary stage for 1 to 10 Myrs, during which they have very high mass loss rates that increase at the end. During the brief (~1000 yr) period in the evolution from the AGB to the Planetary Nebula (PN) stage there are dramatic changes in the morphology from nearly spherical symmetry, to bipolar, quadrupolar and more complex structures, with the development of both slow and fast (100 km/s) outflows. The molecular composition of these objects' cirumstellar envelopes also evolves from being similar to that of parent AGB star (mainly diatomic and small polyatomic species), to more complex molecules (including ions).We have started an observational study of a sample of Proto-Planetary nebulae (PPN) with the Submillimeter Array to carry out spectral-line surveys of ~60 GHz frequency coverage in the 345 GHz band (similar to our published IRC+10216 line survey of 2011). Here we present preliminary results from the line survey of the carbon-rich PPN CRL 618, covering a frequency range of 281.9 to 359.4 GHz. Observations were carried out in January 2016 and September 2017, with the SMA in compact (3" angular resolution) and very extended (0.5") configurations, respectively.More than 1100 lines were detected in CRL 618. The majority of them can be attributed to HC3N and c-C3H2, and their isotopologues. About 350 lines are as yet unassigned. The continuum emission is unresolved even at 0.5" resolution. Several hydrogen recombination lines are detected from the central HII region. Lines of CO, HCO+, CS show the fast outflow wings, while the majority of molecular emission arises from a compact region of about 1" diameter. We present LTEmodeling and rotation temperature diagram analysis of HC3N, c-C3H2, CH3CN, and their isotopologues. We plan to observe another PPN, CRL 2688 with the SMA in 2018. Together, these imaging line surveys will provide observational constraints on models of the chemical evolution from AGB stars to Planetary Nebulae.

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba 2In 2O 4(OH) 2 Structure and Dynamics

DOE PAGES

Dervisoglu, Riza; Middlemiss, Derek S.; Blanc, Frederic; ...

2015-05-01

Here, a structural characterization of the hydrated form of the brownmillerite-type phase Ba 2In 2O 5, Ba 2In 2O 4(OH) 2, is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H 2O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics 2004, 170, 25–32) using X-ray and neutron studies. Calculationsmore » of possible proton arrangements within the partially occupied layer of Ba 2In 2O 4(OH) 2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1H and 17O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1H– 17O double resonance experiments.« less

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics.

PubMed

Dervişoğlu, Rıza; Middlemiss, Derek S; Blanc, Frédéric; Lee, Yueh-Lin; Morgan, Dane; Grey, Clare P

2015-06-09

A structural characterization of the hydrated form of the brownmillerite-type phase Ba 2 In 2 O 5 , Ba 2 In 2 O 4 (OH) 2 , is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H 2 O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics2004, 170, 25-32) using X-ray and neutron studies. Calculations of possible proton arrangements within the partially occupied layer of Ba 2 In 2 O 4 (OH) 2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1 H and 17 O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1 H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1 H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17 O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1 H- 17 O double resonance experiments.

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics

PubMed Central

2015-01-01

A structural characterization of the hydrated form of the brownmillerite-type phase Ba2In2O5, Ba2In2O4(OH)2, is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H2O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics2004, 170, 25−32) using X-ray and neutron studies. Calculations of possible proton arrangements within the partially occupied layer of Ba2In2O4(OH)2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1H and 17O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1H–17O double resonance experiments. PMID:26321789

Anisotropic tensor power spectrum at interferometer scales induced by tensor squeezed non-Gaussianity

NASA Astrophysics Data System (ADS)

Ricciardone, Angelo; Tasinato, Gianmassimo

2018-02-01

We develop a scenario of inflation with spontaneously broken time and space diffeomorphisms, with distinctive features for the primordial tensor modes. Inflationary tensor fluctuations are not conserved outside the horizon, and can acquire a mass during the inflationary epoch. They can evade the Higuchi bound around de Sitter space, thanks to interactions with the fields driving expansion. Correspondingly, the primordial stochastic gravitational wave background (SGWB) is characterised by a tuneable scale dependence, and can be detectable at interferometer scales. In this set-up, tensor non-Gaussianity can be parametrically enhanced in the squeezed limit. This induces a coupling between long and short tensor modes, leading to a specific quadrupolar anisotropy in the primordial SGWB spectrum, which can be used to build estimators for tensor non-Gaussianity. We analyse how our inflationary system can be tested with interferometers, also discussing how an interferometer can be sensitive to a primordial anisotropic SGWB.

The electrostatics of solvent and membrane interfaces and the role of electronic polarizability

NASA Astrophysics Data System (ADS)

Vorobyov, Igor; Allen, Toby W.

2010-05-01

The electrostatics of solvent and lipid bilayer interfaces are investigated with the aim of understanding the interaction of ions and charged peptides with biological membranes. We overcome the lacking dielectric response of hydrocarbon by carrying out atomistic molecular dynamics simulations using a polarizable model. For air-solvent or solvent-solvent interfaces, the effect of polarizability itself is small, yet changes in the fixed atomic charge distribution are responsible for substantial changes in the potential. However, when electrostatics is probed by finite solutes, a cancellation of dominant quadrupolar terms from the macroscopic and microscopic (solute-solvent) interfaces eliminates this dependence and leads to small net contributions to partitioning thermodynamics. In contrast, the membrane dipole potential exhibits considerable dependence on lipid electronic polarizability, due to its dominant dipolar contribution. We report the dipole potential for a polarizable lipid hydrocarbon membrane model of 480-610 mV, in better accord with experimental measurements.

Second harmonic generation from small particle aggregates

NASA Astrophysics Data System (ADS)

Mochan, W. Luis; Ortiz, Guillermo P.; Mendoza, Bernardo S.; Brudny, Vera L.

2001-03-01

Novel nanofabrication techniques are capable of producing nanoparticles with controled structures which include small clusters, self-assembled particles, quantum dots, vesicles, etc. The non-linear optical scattering of these structures are important for applications, and can be used for their physical characterization. The second harmonic (SH) field radiated by a single small spherical particle has surface and bulk, dipolar and quadrupolar contributions of similar intensities and is strongly dependent of the local environment of the particle [1], in contrast to the linear case. In this work we calculate the nonlinear scattering by particle aggregates and we investigate the effects on the SH generation of the disorder induced field fluctuations and of the localization of light. We acknowledge the partial support from DGAPA-UNAM (grant IN110999), Conacyt (31120-E and 26651-E), CIP and UBACyT. [1] Vera L. Brudny, Bernardo S. Mendoza, and W. Luis Mochán, Phys. Rev. B 62, 11152 (2000).

Modeling deformation and chaining of flexible shells in a nematic solvent with finite elements on an adaptive moving mesh

NASA Astrophysics Data System (ADS)

DeBenedictis, Andrew; Atherton, Timothy J.; Rodarte, Andrea L.; Hirst, Linda S.

2018-03-01

A micrometer-scale elastic shell immersed in a nematic liquid crystal may be deformed by the host if the cost of deformation is comparable to the cost of elastic deformation of the nematic. Moreover, such inclusions interact and form chains due to quadrupolar distortions induced in the host. A continuum theory model using finite elements is developed for this system, using mesh regularization and dynamic refinement to ensure quality of the numerical representation even for large deformations. From this model, we determine the influence of the shell elasticity, nematic elasticity, and anchoring condition on the shape of the shell and hence extract parameter values from an experimental realization. Extending the model to multibody interactions, we predict the alignment angle of the chain with respect to the host nematic as a function of aspect ratio, which is found to be in excellent agreement with experiments.

Communication: Nuclear quadrupole moment-induced Cotton-Mouton effect in noble gas atoms

NASA Astrophysics Data System (ADS)

Fu, Li-juan; Rizzo, Antonio; Vaara, Juha

2013-11-01

New, high-sensitivity and high-resolution spectroscopic and imaging methods may be developed by exploiting nuclear magneto-optic effects. A first-principles electronic structure formulation of nuclear electric quadrupole moment-induced Cotton-Mouton effect (NQCME) is presented for closed-shell atoms. In NQCME, aligned quadrupole moments alter the index of refraction of the medium along with and perpendicular to the direction of nuclear alignment. The roles of basis-set convergence, electron correlation, and relativistic effects are investigated for three quadrupolar noble gas isotopes: 21Ne, 83Kr, and 131Xe. The magnitude of the resulting ellipticities is predicted to be 10-4-10-6 rad/(M cm) for fully spin-polarized nuclei. These should be detectable in the Voigt setup. Particularly interesting is the case of 131Xe, in which a high degree of spin polarization can be achieved via spin-exchange optical hyperpolarization.

On the error in the nucleus-centered multipolar expansion of molecular electron density and its topology: A direct-space computational study.

PubMed

Michael, J Robert; Koritsanszky, Tibor

2017-05-28

The convergence of nucleus-centered multipolar expansion of the quantum-chemical electron density (QC-ED), gradient, and Laplacian is investigated in terms of numerical radial functions derived by projecting stockholder atoms onto real spherical harmonics at each center. The partial sums of this exact one-center expansion are compared with the corresponding Hansen-Coppens pseudoatom (HC-PA) formalism [Hansen, N. K. and Coppens, P., "Testing aspherical atom refinements on small-molecule data sets," Acta Crystallogr., Sect. A 34, 909-921 (1978)] commonly utilized in experimental electron density studies. It is found that the latter model, due to its inadequate radial part, lacks pointwise convergence and fails to reproduce the local topology of the target QC-ED even at a high-order expansion. The significance of the quantitative agreement often found between HC-PA-based (quadrupolar-level) experimental and extended-basis QC-EDs can thus be challenged.

Incommensurate to commensurate antiferromagnetism in CeRhAl 4 Si 2 : An Al 27 NMR study

DOE PAGES

Sakai, Hironori; Hattori, T.; Tokunaga, Y.; ...

2016-01-04

27Al nuclear magnetic resonance (NMR) experiments have been performed on a single crystal of CeRhAl 4Si 2, which is an antiferromagnetic Kondo-lattice compound with successive antiferromagnetic transitions of T N1 = 14 K and T N2 = 9 K at zero external field. In the paramagnetic state, the Knight shifts, quadrupolar frequency, and asymmetric parameter of electrical field gradient on the Al sites have been determined, which have local orthorhombic symmetry. The transferred hyperfine coupling constants are also determined. Here, analysis of the NMR spectra indicates that a commensurate antiferromagnetic structure exists below T N2, but an incommensurate modulation ofmore » antiferromagnetic moments is present in the antiferromagnetic state between T N1 and T N2. The spin-lattice relaxation rate suggests that the 4f electrons behave as local moments at temperatures above T N1.« less

Fokker-Planck analysis of transverse collective instabilities in electron storage rings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lindberg, Ryan R.

We analyze single bunch transverse instabilities due to wakefields using a Fokker-Planck model. We first expand on the work of T. Suzuki, Part. Accel. 12, 237 (1982) to derive the theoretical model including chromaticity, both dipolar and quadrupolar transverse wakefields, and the effects of damping and diffusion due to the synchrotron radiation. We reduce the problem to a linear matrix equation, whose eigenvalues and eigenvectors determine the collective stability of the beam. We then show that various predictions of the theory agree quite well with results from particle tracking simulations, including the threshold current for transverse instability and the profilemore » of the unstable mode. In particular, we find that predicting collective stability for high energy electron beams at moderate to large values of chromaticity requires the full Fokker-Planck analysis to properly account for the effects of damping and diffusion due to synchrotron radiation.« less

Spontaneous structural distortion of the metallic Shastry-Sutherland system Dy B4 by quadrupole-spin-lattice coupling

NASA Astrophysics Data System (ADS)

Sim, Hasung; Lee, Seongsu; Hong, Kun-Pyo; Jeong, Jaehong; Zhang, J. R.; Kamiyama, T.; Adroja, D. T.; Murray, C. A.; Thompson, S. P.; Iga, F.; Ji, S.; Khomskii, D.; Park, Je-Geun

2016-11-01

Dy B4 has a two-dimensional Shastry-Sutherland (Sh-S) lattice with strong Ising character of the Dy ions. Despite the intrinsic frustrations, it undergoes two successive transitions: a magnetic ordering at TN=20 K and a quadrupole ordering at TQ=12.5 K . From high-resolution neutron and synchrotron x-ray powder diffraction studies, we have obtained full structural information on this material in all phases and demonstrate that structural modifications occurring at quadrupolar transition lead to the lifting of frustrations inherent in the Sh-S model. Our paper thus provides a complete experimental picture of how the intrinsic frustration of the Sh-S lattice can be lifted by the coupling to quadrupole moments. We show that two other factors, i.e., strong spin-orbit coupling and long-range Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in metallic Dy B4 , play an important role in this behavior.

Water-Soluble Triarylborane Chromophores for One- and Two-Photon Excited Fluorescence Imaging of Mitochondria in Cells.

PubMed

Griesbeck, Stefanie; Zhang, Zuolun; Gutmann, Marcus; Lühmann, Tessa; Edkins, Robert M; Clermont, Guillaume; Lazar, Adina N; Haehnel, Martin; Edkins, Katharina; Eichhorn, Antonius; Blanchard-Desce, Mireille; Meinel, Lorenz; Marder, Todd B

2016-10-04

Three water-soluble tetracationic quadrupolar chromophores comprising two three-coordinate boron π-acceptor groups bridged by thiophene-containing moieties were synthesised for biological imaging applications. Compound 3 containing the bulkier 5-(3,5-Me2 C6 H2 )-2,2'-(C4 H2 S)2 -5'-(3,5-Me2 C6 H2 ) bridge is stable over a long period of time, exhibits a high fluorescence quantum yield and strong one- and two-photon absorption (TPA), and has a TPA cross section of 268 GM at 800 nm in water. Confocal laser scanning fluorescence microscopy studies in live cells indicated localisation of the chromophore at the mitochondria; moreover, cytotoxicity measurements proved biocompatibility. Thus, chromophore 3 has excellent potential for one- and two-photon-excited fluorescence imaging of mitochondrial function in cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Combining state-of-the-art experiment and ab initio calculations for a better understanding of the interplay between valence, magnetism and structure in Eu compounds at high pressure

DOE PAGES

Souza-Neto, N. M.; Haskel, D.; dos Reis, R. D.; ...

2016-07-26

Here, we describe how first principle calculations can play a key role in the interpretation of X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) spectra for a better understanding of emergent phenomena in condensed matter physics at high applied pressure. Eu compounds are used as case study to illustrate the advantages of this methodology, ranging from studies of electronic charge transfer probed by quadrupolar and dipolar contributions, to accurately determining electronic valence, and to inform about the influence of pressure on RKKY interactions and magnetism. This description should help advance studies where the pressure dependence of XANESmore » and XMCD data must be tackled with the support of theoretical calculations for a proper understanding of the electronic properties of materials.« less

NMR spectroscopy of Group 13 metal ions: biologically relevant aspects.

PubMed

André, J P; Mäcke, H R

2003-12-01

In spite of the fact that Group 13 metal ions (Al(3+), Ga(3+), In(3+) and Tl(+/3+)) show no main biological role, they are NMR-active nuclides which can be used in magnetic resonance spectroscopy of biologically relevant systems. The fact that these metal ions are quadrupolar (with the exception of thallium) means that they are particularly sensitive to ligand type and coordination geometry. The line width of the NMR signals of their complexes shows a strong dependence on the symmetry of coordination, which constitutes an effective tool in the elucidation of structures. Here we report published NMR studies of this family of elements, applied to systems of biological importance. Special emphasis is given to binding studies of these cations to biological molecules, such as proteins, and to chelating agents of radiopharmaceutical interest. The possibility of in vivo NMR studies is also stressed, with extension to (27)Al-based MRI (magnetic resonance imaging) experiments.

NMR Studies of Low-Gamma Nuclei in Solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wasylishen, Roderick E.; Forgeron, Michelle A.; Siegel, Renee

2006-07-24

Over the past five years we have devoted considerable time to solid-state NMR investigaitons of nuclei, which are traditionally known as "difficult" because of their small magnetic moments. These include quadrupolar nuclei such as 35Cl, 53 Cr, 91Zr, 95Mo, 99Ru, 131 Xe, as well as spin-1/2 nuclei such as 109Ag. While NMR studies of such isotopes remain challenging, the use of moderate to high magnetic field strengths together with a variety of enhancement techniques is leading to many interesting applications. In this talk some of our successes in studying these isotopes will be presented. For example, we will present preliminarymore » results of 131Xe NMR studies of solid sodium perxenate, as well as 109Ag NMR studies of silver dialkylphosphites. Our experience using population enhancement techniques that utilize hyperbolic secant pulses will also be discussed.« less

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass

NASA Astrophysics Data System (ADS)

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-01

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant CQ ∝ |Vzz| and the asymmetry parameter ηQ that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass.

PubMed

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-26

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant C(Q) is proportional to |V(zz)| and the asymmetry parameter η(Q) that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Four-time 7Li stimulated-echo spectroscopy for the study of dynamic heterogeneities: Application to lithium borate glass.

PubMed

Storek, M; Tilly, J F; Jeffrey, K R; Böhmer, R

2017-09-01

To study the nature of the nonexponential ionic hopping in solids a pulse sequence was developed that yields four-time stimulated-echo functions of previously inaccessible spin-3/2-nuclei such as 7 Li. It exploits combined Zeeman and octupolar order as longitudinal carrier state. Higher-order correlation functions were successfully generated for natural-abundance and isotopically-enriched lithium diborate glasses. Four-time 7 Li measurements are presented and compared with two-time correlation functions. The results are discussed with reference to approaches devised to quantify the degree of nonexponentiality in glass forming systems and evidence for the occurrence of dynamic heterogeneities and dynamic exchange were found. Additional experiments using the 6 Li species illustrate the challenge posed by subensemble selection when the dipolar interactions are not very much smaller than the quadrupolar ones. Copyright © 2017 Elsevier Inc. All rights reserved.

Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP

NASA Astrophysics Data System (ADS)

Masters, T. A.; Robinson, N. A.; Marsh, R. J.; Blacker, T. S.; Armoogum, D. A.; Larijani, B.; Bain, A. J.

2018-04-01

Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment ⟨α40 ⟩ present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of ⟨α40 ⟩ to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both ⟨α20 ⟩ (quadrupolar) and ⟨α40 ⟩ transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

Local tests of gravitation with Gaia observations of Solar System Objects

NASA Astrophysics Data System (ADS)

Hees, Aurélien; Le Poncin-Lafitte, Christophe; Hestroffer, Daniel; David, Pedro

2018-04-01

In this proceeding, we show how observations of Solar System Objects with Gaia can be used to test General Relativity and to constrain modified gravitational theories. The high number of Solar System objects observed and the variety of their orbital parameters associated with the impressive astrometric accuracy will allow us to perform local tests of General Relativity. In this communication, we present a preliminary sensitivity study of the Gaia observations on dynamical parameters such as the Sun quadrupolar moment and on various extensions to general relativity such as the parametrized post-Newtonian parameters, the fifth force formalism and a violation of Lorentz symmetry parametrized by the Standard-Model extension framework. We take into account the time sequences and the geometry of the observations that are particular to Gaia for its nominal mission (5 years) and for an extended mission (10 years).

Concerning the Role of Supercritical Carbon Dioxide in SN 1 Reactions.

PubMed

Qiao, Yun X; Theyssen, Nils; Eifert, Tobias; Liauw, Marcel A; Franciò, Giancarlo; Schenk, Karolin; Leitner, Walter; Reetz, Manfred T

2017-03-17

A series of S N 1-type reactions has been studied under various conditions to clarify the role of supercritical carbon dioxide (scCO 2 ) as reaction medium for this kind of transformations. The application of scCO 2 did not result in higher yields in any of the experiments in comparison to those under neat conditions or in the presence of other inert compressed gases. High-pressure UV/Vis spectroscopic measurements were carried out to quantify the degree of carbocation formation of a highly S N 1-active alkyl halide as a function of the applied solvent. No measureable concentration of carbocations could be detected in scCO 2 , just like in other low polarity solvents. Taken together, these results do not support the previously claimed activating effect via enhanced S N 1 ionization due to the quadrupolar moment of the supercritical fluid. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bethe lattice approach and relaxation dynamics study of spin-crossover materials

NASA Astrophysics Data System (ADS)

Oke, Toussaint Djidjoho; Hontinfinde, Félix; Boukheddaden, Kamel

2015-07-01

Dynamical properties of Prussian blue analogs and spin-crossover materials are investigated in the framework of a Blume-Emery-Griffiths (BEG) spin-1 model, where states ±1 and 0 represent the high-spin (HS) state and the low-spin state, respectively. The quadrupolar interaction depends on the temperature in the form . Magnetic interactions are controlled by a factor such that for (), magnetic ordering is not expected. The model is exactly solved using the Bethe lattice approach for the equilibrium properties. The results are closer to those calculated by numerical simulations with suitable Arrhenius-type transition rates. The study of relaxation processes of non-equilibrium HS states revealed one-step nonlinear sigmoidal relaxation curves of the HS fraction at low temperatures. We found that increasing the magnetic interactions leads to the appearance of a plateau in the thermal hysteresis as well as in the relaxation curves of the HS fraction at low temperature.

On the error in the nucleus-centered multipolar expansion of molecular electron density and its topology: A direct-space computational study

NASA Astrophysics Data System (ADS)

Michael, J. Robert; Koritsanszky, Tibor

2017-05-01

The convergence of nucleus-centered multipolar expansion of the quantum-chemical electron density (QC-ED), gradient, and Laplacian is investigated in terms of numerical radial functions derived by projecting stockholder atoms onto real spherical harmonics at each center. The partial sums of this exact one-center expansion are compared with the corresponding Hansen-Coppens pseudoatom (HC-PA) formalism [Hansen, N. K. and Coppens, P., "Testing aspherical atom refinements on small-molecule data sets," Acta Crystallogr., Sect. A 34, 909-921 (1978)] commonly utilized in experimental electron density studies. It is found that the latter model, due to its inadequate radial part, lacks pointwise convergence and fails to reproduce the local topology of the target QC-ED even at a high-order expansion. The significance of the quantitative agreement often found between HC-PA-based (quadrupolar-level) experimental and extended-basis QC-EDs can thus be challenged.

Assembly of Reconfigurable Colloidal Structures by Multidirectional Field-Induced Interactions.

PubMed

Bharti, Bhuvnesh; Velev, Orlin D

2015-07-28

Field-directed colloidal assembly has shown remarkable recent progress in increasing the complexity, degree of control, and multiscale organization of the structures. This has largely been achieved by using particles of complex shapes and polarizabilites (Janus, patchy, shaped, and faceted). We review the fundamentals of the interactions leading to the directed assembly of such structures, the ways to simulate the dynamics of the process, and the effect of particle size, shape, and properties on the type of structure obtained. We discuss how directional polarization interactions induced by external electric and magnetic fields can be used to assemble complex particles or particle mixtures into lattices of tailored structure. Examples of such systems include isotropic and anisotropic shaped particles with surface patches, which form networks and crystals of unusual symmetry by dipolar, quadrupolar, and multipolar interactions in external fields. The emerging trends in making reconfigurable and dynamic structures are discussed.

EPR study of copper(II) ions in zinc 1-malate trihydrate

NASA Astrophysics Data System (ADS)

Bonomo, Raffaele P.; Di Bilio, Angel J.; Riggi, Francesco

1988-10-01

The EPR spectrum of Cu 2+ ions in zinc 1-malate trihydrate has been measured at 150 K for a large number of orientations of the applied magnetic field. Analysis yields the following spin Hamiltonian parameters: g x=2.0894±0.0009, A x=-12.0±1.5, g y=2.0879±0.0005, A y=-8.7±1.0, R=-0.7±1.5, g z=2.4249±0.0005, A z=-120.1±0.9, P=9.9±0.5, where the units of A and P are 10 4 cm -1. The Zeeman and hyperfine coupling tensors are coincident within 2°. The spectrum shows forbidden transitions with abnormal intensity due to a large quadrupolar interaction. The direction of g z points towards the hydroxyl oxygen while the g x and g y directions lie approximately along the metal-carboxylate oxygen bond.

Influence of Chirality in Ordered Block Copolymer Phases

NASA Astrophysics Data System (ADS)

Prasad, Ishan; Grason, Gregory

2015-03-01

Block copolymers are known to assemble into rich spectrum of ordered phases, with many complex phases driven by asymmetry in copolymer architecture. Despite decades of study, the influence of intrinsic chirality on equilibrium mesophase assembly of block copolymers is not well understood and largely unexplored. Self-consistent field theory has played a major role in prediction of physical properties of polymeric systems. Only recently, a polar orientational self-consistent field (oSCF) approach was adopted to model chiral BCP having a thermodynamic preference for cholesteric ordering in chiral segments. We implement oSCF theory for chiral nematic copolymers, where segment orientations are characterized by quadrupolar chiral interactions, and focus our study on the thermodynamic stability of bi-continuous network morphologies, and the transfer of molecular chirality to mesoscale chirality of networks. Unique photonic properties observed in butterfly wings have been attributed to presence of chiral single-gyroid networks, this has made it an attractive target for chiral metamaterial design.

Crystal-field effects in the kagome antiferromagnet Ho3Ru4Al12

NASA Astrophysics Data System (ADS)

Gorbunov, D. I.; Nomura, T.; Ishii, I.; Henriques, M. S.; Andreev, A. V.; Doerr, M.; Stöter, T.; Suzuki, T.; Zherlitsyn, S.; Wosnitza, J.

2018-05-01

In Ho3Ru4Al12 , the Ho atoms form a distorted kagome lattice. We performed magnetization, magnetic-susceptibility, specific-heat, and ultrasound measurements on a single crystal. We find that the magnetic and magnetoelastic properties of Ho3Ru4Al12 result from an interplay between geometric frustration and crystal-electric-field (CEF) effects. The Ho atoms order antiferromagnetically at TN=4.5 K with reduced magnetic moments. In applied field, the magnetization shows anomalies that can be explained by CEF level crossings. We propose a CEF level scheme for which the ground-state doublet and the first two excited singlets at about 2.7 K form a quasiquartet. Indirect interlevel transitions allow for a quadrupolar interaction. This interaction explains well changes in the elastic shear modulus C44 as a function of temperature and magnetic field.

Autoresonant Control of Elliptical Non-neutral Plasmas

NASA Astrophysics Data System (ADS)

Friedland, Lazar

1999-11-01

It is shown that placing a magnetized non-neutral plasma column in a weak oscillating transverse quadrupolar potential with chirped oscillation frequency allows excitation and control of the ellipticity and rotation phase of the plasma cross section. For a given chirp rate of the driving frequency, the phenomenon has a sharp threshold on the amplitude of the perturbing potential. The effect is analogous to that reported in controlling Kirchhoff vortices in fluid dynamics [1]. The ellipticity of the plasma cross section is manipulated by using autoresonance (nonlinear phase locking) in the system between the ExB drifting plasma particles and adiabatically varying driving potential. A similar idea was used recently in controlling the l=1 diocotron mode in a non-neutral plasma [2]. [1] L. Friedland, Phys. Rev. E59, 4106 (1999). [2] J. Fajans, E. Gilson, and L. Friedland, Phys. Rev. Lett. 82, 4444 (1999).

From self-assembly fundamental knowledge to nanomedicine developments.

PubMed

Monduzzi, Maura; Lampis, Sandrina; Murgia, Sergio; Salis, Andrea

2014-03-01

This review highlights the key role of NMR techniques in demonstrating the molecular aspects of the self-assembly of surfactant molecules that nowadays constitute the basic knowledge which modern nanoscience relies on. The aim is to provide a tutorial overview. The story of a rigorous scientific approach to understand self-assembly in surfactant systems and biological membranes starts in the early seventies when the progresses of SAXRD and NMR technological facilities allowed to demonstrate the existence of ordered soft matter, and the validity of Tanford approach concerning self-assembly at a molecular level. Particularly, NMR quadrupolar splittings, NMR chemical shift anisotropy, and NMR relaxation of dipolar and quadrupolar nuclei in micellar solutions, microemulsions, and liquid crystals proved the existence of an ordered polar-apolar interface, on the NMR time scale. NMR data, rationalized in terms of the two-step model of relaxation, allowed to quantify the dynamic aspects of the supramolecular aggregates in different soft matter systems. In addition, NMR techniques allowed to obtain important information on counterion binding as well as on size of the aggregate through molecular self-diffusion. Indeed NMR self-diffusion proved without any doubt the existence of bicontinuous microemulsions and bicontinuous cubic liquid crystals, suggested by pioneering and brilliant interpretation of SAXRD investigations. Moreover, NMR self-diffusion played a fundamental role in the understanding of microemulsion and emulsion nanostructures, phase transitions in phase diagrams, and particularly percolation phenomena in microemulsions. Since the nineties, globalization of the knowledge along with many other technical facilities such as electron microscopy, particularly cryo-EM, produced huge progresses in surfactant and colloid science. Actually we refer to nanoscience: bottom up/top down strategies allow to build nanodevices with applications spanning from ICT to food technology. Developments in the applied fields have also been addressed by important progresses in theoretical skills aimed to understand intermolecular forces, and specific ion interactions. Nevertheless, this is still an open question. Our predictive ability has however increased, hence more ambitious targets can be planned. Nanomedicine represents a major challenging field with its main aims: targeted drug delivery, diagnostic, theranostics, tissue engineering, and personalized medicine. Few recent examples will be mentioned. Although the real applications of these systems still need major work, nevertheless new challenges are open, and perspectives based on integrated multidisciplinary approaches would enable both a deeper basic knowledge and the expected advances in biomedical field. © 2013.

A 93Nb solid-state NMR and density functional theory study of four- and six-coordinate niobate systems.

PubMed

Hanna, John V; Pike, Kevin J; Charpentier, Thibault; Kemp, Thomas F; Smith, Mark E; Lucier, Bryan E G; Schurko, Robert W; Cahill, Lindsay S

2010-03-08

A variable B(0) field static (broadline) NMR study of a large suite of niobate materials has enabled the elucidation of high-precision measurement of (93)Nb NMR interaction parameters such as the isotropic chemical shift (delta(iso)), quadrupole coupling constant and asymmetry parameter (C(Q) and eta(Q)), chemical shift span/anisotropy and skew/asymmetry (Omega/Deltadelta and kappa/eta(delta)) and Euler angles (alpha, beta, gamma) describing the relative orientation of the quadrupolar and chemical shift tensorial frames. These measurements have been augmented with ab initio DFT calculations by using WIEN2k and NMR-CASTEP codes, which corroborate these reported values. Unlike previous assertions made about the inability to detect CSA (chemical shift anisotropy) contributions from Nb(V) in most oxo environments, this study emphasises that a thorough variable B(0) approach coupled with the VOCS (variable offset cumulative spectroscopy) technique for the acquisition of undistorted broad (-1/2<-->+1/2) central transition resonances facilitates the unambiguous observation of both quadrupolar and CSA contributions within these (93)Nb broadline data. These measurements reveal that the (93)Nb electric field gradient tensor is a particularly sensitive measure of the immediate and extended environments of the Nb(V) positions, with C(Q) values in the 0 to >80 MHz range being measured; similarly, the delta(iso) (covering an approximately 250 ppm range) and Omega values (covering a 0 to approximately 800 ppm range) characteristic of these niobate systems are also sensitive to structural disposition. However, their systematic rationalisation in terms of the Nb-O bond angles and distances defining the immediate Nb(V) oxo environment is complicated by longer-range influences that usually involve other heavy elements comprising the structure. It has also been established in this study that the best computational method(s) of analysis for the (93)Nb NMR interaction parameters generated here are the all-electron WIEN2k and the gauge included projector augmented wave (GIPAW) NMR-CASTEP DFT approaches, which account for the short- and long-range symmetries, periodicities and interaction-potential characteristics for all elements (and particularly the heavy elements) in comparison with Gaussian 03 methods, which focus on terminated portions of the total structure.

Solid-state (127)I NMR and GIPAW DFT study of metal iodides and their hydrates: structure, symmetry, and higher-order quadrupole-induced effects.

PubMed

Widdifield, Cory M; Bryce, David L

2010-10-14

Central-transition (127)I solid-state nuclear magnetic resonance (SSNMR) spectra are presented for several anhydrous group 2 metal iodides (MgI(2), CaI(2), SrI(2), and BaI(2)), hydrates (BaI(2)·2H(2)O and SrI(2)·6H(2)O), and CdI(2) (4H polytype). Variable offset cumulative spectrum data acquisition coupled with echo pulse sequences and an 'ultrahigh' applied field of 21.1 T were usually suitable to acquire high-quality spectra. Spectral analysis revealed iodine-127 nuclear quadrupole coupling constants (C(Q)((127)I)) ranging in magnitude from 43.5 (CaI(2)) to 214 MHz (one site in SrI(2)). For very large C(Q), analytical second-order perturbation theory could not be used to reliably extract chemical shifts and a treatment which includes quadrupolar effects exactly was required (Bain, A. D. Mol. Phys. 2003, 101, 3163). Differences between second-order and exact modeling allowed us to observe 'higher-order' quadrupole-induced effects for the first time. This finding will have implications for the interpretation of SSNMR spectra of quadrupolar nuclei with large quadrupole moments. In favorable situations (i.e., C(Q)((127)I) < 120 MHz), measurements were also performed at 11.75 T which when combined with the 21.1 T data allowed us to measure iodine chemical shift (CS) tensor spans in the range from 60 (BaI(2)·2H(2)O) to 300 ppm (one site in BaI(2)). These measurements represent the first complete characterizations (i.e., electric field gradient and CS tensors as well as their relative orientation) of noncubic iodide sites using (127)I SSNMR. In select cases, the SSNMR data are supported with (127)I NQR measurements. We also summarize a variety of trends in the halogen SSNMR parameters for group 2 metal halides. Gauge-including projector-augmented wave DFT computations are employed to complement the experimental observations, to predict potential structures for the two hydrates, and to highlight the sensitivity of C(Q)((127)I) to minute structural changes, which has potential applications in NMR crystallography.

Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy.

PubMed

Kaminker, Ilia; Wilson, Tiffany D; Savelieff, Masha G; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

2014-03-01

ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between (14)N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the (14)N mI=0 and mI=-1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S=1/2, I=1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due to off resonance effects and/or nuclear relaxation effects. These results suggest that the 2D-EDNMR experiment can be also useful for relaxation pathway studies. Finally we present preliminary results demonstrating that 2D-EDNMR can resolve overlapping (33)S and (14)N signals of type 1 Cu(II) center in (33)S enriched Azurin. Copyright © 2014 Elsevier Inc. All rights reserved.

The ω{OMEGA} dynamo in accretion disks of rotating black holes.

NASA Astrophysics Data System (ADS)

Khanna, R.; Camenzind, M.

1996-03-01

We develop the kinematic theory of axisymmetric dynamo action in the innermost part of an accretion disk around a rotating black hole. The problem is formulated in the 3+1 split of Kerr spacetime. It turns out that the gravitomagnetic field of the hole gives rise to a dynamo current for the the poloidal magnetic field without any need of turbulent plasma motions even in axisymmetry. We show that Cowling's theorem does not apply in the Kerr metric. This gravitomagnetic dynamo effect (ω-effect) requires finite diffusivity and is enhanced by anomalous or turbulent magnetic diffusivity. The reformulation of the problem in the framework of mean field magnetohydrodynamics introduces the familiar α-effect. The dynamo equations are formally identical with their classical equivalents (i.e. equations for the α{OMEGA} dynamo in flat space), augmented by the general relativistic ω-effect-term as source. We have carried out time-dependent numerical simulations of the dynamo in a turbulent differentially rotating accretion disk using a finite element code with implicit time-stepping. The advection of the magnetic field with the plasma is fully included. Solutions are discussed for extremely and less rapidly rotating black holes. We observe growing dipolar, quadrupolar and mixed modes, the second being, however, dominant. A common feature of all our simulations of the ω{OMEGA} dynamo is that it will finally build up a stellar like magnetosphere around the black hole, which blends into the outer disk field topology in a transition region. This finding enforces the analogy in the models of jet formation in AGN and YSOs. An interesting feature occurs for less rapidly rotating holes. The frame dragging effect introduces a boundary layer in the plasma rotation, where the plasma is prone to resistive magnetohydrodynamical instabilities such as the rippling mode or the tearing mode and thus the boundary layer has to be regarded as a potential site of particle acceleration. We also present a simulation of the αω{OMEGA} dynamo. For a heuristic description of α in the 3+1 split of Kerr spacetime, the ω-effect is dominated by the α-effect. For the same parameters as in the simulations of the ω{OMEGA} dynamo, the αω{OMEGA} dynamo behaves much more dynamically. The simulation shows radially and vertically oscillating dipolar, quadrupolar and mixed modes.

Cohesive Energies of Some Transition Metal Compounds Using Embedded Clusters

NASA Astrophysics Data System (ADS)

Press, Mehernosh Rustom

The molecular-clusters approach to electronic structure calculation is especially well-suited to the study of properties that depend primarily on the local environment of a system, especially those with no translational symmetry, e.g. systems with defects and structural deformations. The presence of the rest of the crystal environment can be accounted for approximately by embedding the cluster in a self-consistent crystal potential. This thesis makes a contribution in the area of investigating the capability of embedded molecular-clusters to yield reliable bulk structural properties. To this end, an algorithm for calculating the cohesive energies of clusters within the discrete-variational X(,(alpha)) LCAO-MO formulation is set up and verified on simple solids: Li, Na, Cu and LiF. We then use this formulation to study transition metal compounds, for which the interesting physics lies in local lattice defects, foreign impurities and structural deformations. In a self -consistent calculation of the lattice energies and stability of defect clusters in wustite, Fe(,1-x)O, corner-sharing aggregates of the 4:1 defect are identified as the most stable defect configurations due to efficient compensation of the cluster charge. The intercalation properties of layered-transition-metal-dichalcogenides continues to be a fertile experimental working area, backed by comparatively little theoretical study. We find that intercalation of ZrS(,2) with Na perturbs the valence energy level structure sufficiently to induce a more ionic Zr-S bond, a narrowing of the optical gap and filling of the lowest unoccupied host lattice orbitals with the electron donated by Na. Fe - intercalation in ZrS(,2) is accommodated via a strong Fe-S bond, impurity-like band levels in the optical gap of the host and hybridization-driven compression and lowering of the conduction band energy levels. The piezoelectric cuprous halides, CuCl and CuBr, exhibit a host of intriguing properties due to a filled and very active d('10) shell at the Fermi energy. A self-consistent calculation via energy minimization of the internal strain in these compounds shows both Cu-halide bonds to be very rigid with little charge delocalization under strain. Piezoelectric response is calculated in terms of effective charges and quadrupolar moments, e(,T) and (DELTA)Q.

Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

PubMed

Guido, Ciro A; Jacquemin, Denis; Adamo, Carlo; Mennucci, Benedetta

2015-12-08

We critically analyze the performances of continuum solvation models when coupled to time-dependent density functional theory (TD-DFT) to predict solvent effects on both absorption and emission energies of chromophores in solution. Different polarization schemes of the polarizable continuum model (PCM), such as linear response (LR) and three different state specific (SS) approaches, are considered and compared. We show the necessity of introducing a SS model in cases where large electron density rearrangements are involved in the excitations, such as charge-transfer transitions in both twisted and quadrupolar compounds, and underline the very delicate interplay between the selected polarization method and the chosen exchange-correlation functional. This interplay originates in the different descriptions of the transition and ground/excited state multipolar moments by the different functionals. As a result, the choice of both the DFT functional and the solvent polarization scheme has to be consistent with the nature of the studied electronic excitation.

Polarized two-photon photoselection in EGFP: Theory and experiment

NASA Astrophysics Data System (ADS)

Masters, T. A.; Marsh, R. J.; Blacker, T. S.; Armoogum, D. A.; Larijani, B.; Bain, A. J.

2018-04-01

In this work, we present a complete theoretical description of the excited state order created by two-photon photoselection from an isotropic ground state; this encompasses both the conventionally measured quadrupolar (K = 2) and the "hidden" degree of hexadecapolar (K = 4) transition dipole alignment, their dependence on the two-photon transition tensor and emission transition dipole moment orientation. Linearly and circularly polarized two-photon absorption (TPA) and time-resolved single- and two-photon fluorescence anisotropy measurements are used to determine the structure of the transition tensor in the deprotonated form of enhanced green fluorescent protein. For excitation wavelengths between 800 nm and 900 nm, TPA is best described by a single element, almost completely diagonal, two-dimensional (planar) transition tensor whose principal axis is collinear to that of the single-photon S0 → S1 transition moment. These observations are in accordance with assignments of the near-infrared two-photon absorption band in fluorescent proteins to a vibronically enhanced S0 → S1 transition.

Low-loss resonance modes in a gain-assisted plasmonic multimer

NASA Astrophysics Data System (ADS)

Pan, Gui-Ming; Yang, Da-Jie; Zhou, Li; Hao, Zhong-Hua

2018-03-01

We theoretically study the properties of optical losses in a plasmonic multimer and find modes with lower radiative losses due to the cancellation of the dipole moment. High order plasmonic resonances, including electric quadrupole and magnetic dipole resonances, can be achieved by the reduction of symmetry in a multimer. Meanwhile, the dipole moment can be significantly reduced in these high order modes, and consequently, the radiative losses decrease efficiently. The low-loss modes can lead to a lower gain threshold in the gain-assisted nanosystem. In particular, compared with the electric dipolar mode in a single nanoshell, the gain threshold of the electric quadrupolar and magnetic dipolar modes in a multimer can drop by 57.66% and 59.22%, respectively. On the other hand, the gain threshold can reflect the extent of the optical losses of the plasmonic mode in a nanosystem. These findings may have potential applications in the design of a nanolaser, plasmon waveguide and photo-thermal device.

(14)N overtone transition in double rotation solid-state NMR.

PubMed

Haies, Ibraheem M; Jarvis, James A; Brown, Lynda J; Kuprov, Ilya; Williamson, Philip T F; Carravetta, Marina

2015-10-07

Solid-state NMR transitions involving outer energy levels of the spin-1 (14)N nucleus are immune, to first order in perturbation theory, to the broadening caused by the nuclear quadrupole interaction. The corresponding overtone spectra, when acquired in conjunction with magic-angle sample spinning, result in lines, which are just a few kHz wide, permitting the direct detection of nitrogen compounds without the need for labeling. Despite the success of this technique, "overtone" resonances are still broadened due to indirect, second order effects arising from the large quadrupolar interaction. Here we demonstrate that another order of magnitude in spectral resolution may be gained by using double rotation. This brings the width of the (14)N solid-state NMR lines much closer to the region commonly associated with high-resolution solid-state NMR spectroscopy of (15)N and demonstrates the improvements in resolution that may be possible through the development of pulsed methodologies to suppress these second order effects.

Direct detection and characterization of bioinorganic peroxo moieties in a vanadium complex by 17O solid-state NMR and density functional theory.

PubMed

Gupta, Rupal; Stringer, John; Struppe, Jochem; Rehder, Dieter; Polenova, Tatyana

2018-07-01

Electronic and structural properties of short-lived metal-peroxido complexes, which are key intermediates in many enzymatic reactions, are not fully understood. While detected in various enzymes, their catalytic properties remain elusive because of their transient nature, making them difficult to study spectroscopically. We integrated 17 O solid-state NMR and density functional theory (DFT) to directly detect and characterize the peroxido ligand in a bioinorganic V(V) complex mimicking intermediates non-heme vanadium haloperoxidases. 17 O chemical shift and quadrupolar tensors, measured by solid-state NMR spectroscopy, probe the electronic structure of the peroxido ligand and its interaction with the metal. DFT analysis reveals the unusually large chemical shift anisotropy arising from the metal orbitals contributing towards the magnetic shielding of the ligand. The results illustrate the power of an integrated approach for studies of oxygen centers in enzyme reaction intermediates. Copyright © 2018 Elsevier Inc. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forno, Massimo Dal; Department of Engineering and Architecture, University of Trieste, Trieste; Craievich, Paolo

The front-end injection systems of the FERMI@Elettra linac produce high brightness electron beams that define the performance of the Free Electron Laser. The photoinjector mainly consists of the radiofrequency (rf) gun and of two S-band rf structures which accelerate the beam. Accelerating structures endowed with a single feed coupler cause deflection and degradation of the electron beam properties, due to the asymmetry of the electromagnetic field. In this paper, a new type of single feed structure with movable short-circuit is proposed. It has the advantage of having only one waveguide input, but we propose a novel design where the dipolarmore » component is reduced. Moreover, the racetrack geometry allows to reduce the quadrupolar component. This paper presents the microwave design and the analysis of the particle motion inside the linac. A prototype has been machined at the Elettra facility to verify the new coupler design and the rf field has been measured by adopting the bead-pull method. The results are here presented, showing good agreement with the expectations.« less

Wetting, meniscus structure, and capillary interactions of microspheres bound to a cylindrical liquid interface.

PubMed

Kim, Paul Y; Dinsmore, Anthony D; Hoagland, David A; Russell, Thomas P

2018-03-14

Wetting, meniscus structure, and capillary interactions for polystyrene microspheres deposited on constant curvature cylindrical liquid interfaces, constructed from nonvolatile ionic or oligomeric liquids, were studied by optical interferometry and optical microscopy. The liquid interface curvature resulted from the preferential wetting of finite width lines patterned onto planar silicon substrates. Key variables included sphere diameter, nominal (or average) contact angle, and deviatoric interfacial curvature. Menisci adopted the quadrupolar symmetry anticipated by theory, with interfacial deformation closely following predicted dependences on sphere diameter and nominal contact angle. Unexpectedly, the contact angle was not constant locally around the contact line, the nominal contact angle varied among seemingly identical spheres, and the maximum interface deviation did not follow the predicted dependence on deviatoric interfacial curvature. Instead, this deviation was up to an order-of-magnitude larger than predicted. Trajectories of neighboring microspheres visually manifested quadrupole-quadrupole interactions, eventually producing square sphere packings that foreshadow interfacial assembly as a potential route to hierarchical 2D particle structures.

Structures and reaction pathways of the molybdenum centres of sulfite-oxidizing enzymes by pulsed EPR spectroscopy.

PubMed

Enemark, John H; Astashkin, Andrei V; Raitsimring, Arnold M

2008-12-01

SOEs (sulfite-oxidizing enzymes) are physiologically vital and occur in all forms of life. During the catalytic cycle, the five-co-ordinate square pyramidal oxo-molybdenum active site passes through the Mo(V) state, and intimate details of the structure can be obtained from variable frequency pulsed EPR spectroscopy through the hyperfine and nuclear quadrupole interactions of nearby magnetic nuclei. By employing variable spectrometer operational frequencies, it is possible to optimize the measurement conditions for difficult quadrupolar nuclei of interest (e.g. (17)O, (33)S, (35)Cl and (37)Cl) and to simplify the interpretation of the spectra. Isotopically labelled model Mo(V) compounds provide further insight into the electronic and geometric structures and chemical reactions of the enzymes. Recently, blocked forms of SOEs having co-ordinated sulfate, the reaction product, were detected using (33)S (I=3/2) labelling. This blocking of product release is a possible contributor to fatal human sulfite oxidase deficiency in young children.

Analytical N beam position monitor method

NASA Astrophysics Data System (ADS)

Wegscheider, A.; Langner, A.; Tomás, R.; Franchi, A.

2017-11-01

Measurement and correction of focusing errors is of great importance for performance and machine protection of circular accelerators. Furthermore LHC needs to provide equal luminosities to the experiments ATLAS and CMS. High demands are also set on the speed of the optics commissioning, as the foreseen operation with β*-leveling on luminosity will require many operational optics. A fast measurement of the β -function around a storage ring is usually done by using the measured phase advance between three consecutive beam position monitors (BPMs). A recent extension of this established technique, called the N-BPM method, was successfully applied for optics measurements at CERN, ALBA, and ESRF. We present here an improved algorithm that uses analytical calculations for both random and systematic errors and takes into account the presence of quadrupole, sextupole, and BPM misalignments, in addition to quadrupolar field errors. This new scheme, called the analytical N-BPM method, is much faster, further improves the measurement accuracy, and is applicable to very pushed beam optics where the existing numerical N-BPM method tends to fail.

Near- and far-field investigation of dark and bright higher order resonances in square loop elements at mid-infrared wavelengths.

PubMed

Tucker, Eric; D'Archangel, Jeffrey; Boreman, Glenn

2017-03-06

Three different size gold square loop structures were fabricated as arrays on ZnS over a ground plane and designed to have absorptive fundamental, second order, and third order resonances at a wavelength of 10.6 µm and 60° off-normal. The angular dependent far-field spectral absorptivity was investigated over the mid-infrared for each size loop array. It was found that the second order modes were dark at normal incidence, but became excited at off-normal incidence, which is consistent with previous work for similar geometry structures. Furthermore, near-field measurements and simulations at a wavelength of 10.6 µm and 60° off-normal showed that the second order mode (quadrupolar) of the medium size loop yielded a near-field response similar in magnitude to the fundamental mode (dipolar) of the small size loop, which can be important for sensing related applications where both strong near-field enhancement and more uniform or less localized field is beneficial.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bordin, Lorenzo; Creminelli, Paolo; Mirbabayi, Mehrdad

We point out that tensor consistency relations—i.e. the behavior of primordial correlation functions in the limit a tensor mode has a small momentum—are more universal than scalar consistency relations. They hold in the presence of multiple scalar fields and as long as anisotropies are diluted exponentially fast. When de Sitter isometries are approximately respected during inflation this is guaranteed by the Higuchi bound, which forbids the existence of light particles with spin: de Sitter space can support scalar hair but no curly hair. We discuss two indirect ways to look for the violation of tensor consistency relations in observations, asmore » a signature of models in which inflation is not a strong isotropic attractor, such as solid inflation: (a) graviton exchange contribution to the scalar four-point function; (b) quadrupolar anisotropy of the scalar power spectrum due to super-horizon tensor modes. This anisotropy has a well-defined statistics which can be distinguished from cases in which the background has a privileged direction.« less

Polarized two-photon photoselection in EGFP: Theory and experiment.

PubMed

Masters, T A; Marsh, R J; Blacker, T S; Armoogum, D A; Larijani, B; Bain, A J

2018-04-07

In this work, we present a complete theoretical description of the excited state order created by two-photon photoselection from an isotropic ground state; this encompasses both the conventionally measured quadrupolar (K = 2) and the "hidden" degree of hexadecapolar (K = 4) transition dipole alignment, their dependence on the two-photon transition tensor and emission transition dipole moment orientation. Linearly and circularly polarized two-photon absorption (TPA) and time-resolved single- and two-photon fluorescence anisotropy measurements are used to determine the structure of the transition tensor in the deprotonated form of enhanced green fluorescent protein. For excitation wavelengths between 800 nm and 900 nm, TPA is best described by a single element, almost completely diagonal, two-dimensional (planar) transition tensor whose principal axis is collinear to that of the single-photon S 0 → S 1 transition moment. These observations are in accordance with assignments of the near-infrared two-photon absorption band in fluorescent proteins to a vibronically enhanced S 0 → S 1 transition.

The shape of CMB temperature and polarization peaks on the sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marcos-Caballero, A.; Fernández-Cobos, R.; Martínez-González, E.

2016-04-01

We present a theoretical study of CMB temperature peaks, including its effect over the polarization field, and allowing nonzero eccentricity. The formalism is developed in harmonic space and using the covariant derivative on the sphere, which guarantees that the expressions obtained are completely valid at large scales (i.e., no flat approximation). The expected patterns induced by the peak, either in temperature or polarization, are calculated, as well as their covariances. It is found that the eccentricity introduces a quadrupolar dependence in the peak shape, which is proportional to a complex bias parameter b {sub ε}, characterizing the peak asymmetry andmore » orientation. In addition, the one-point statistics of the variables defining the peak on the sphere is reviewed, finding some differences with respect to the flat case for large peaks. Finally, we present a mechanism to simulate constrained CMB maps with a particular peak on the field, which is an interesting tool for analysing the statistical properties of the peaks present in the data.« less

A new class of g-modes in neutron stars

NASA Technical Reports Server (NTRS)

Reisenegger, Andreas; Goldreich, Peter

1992-01-01

Because a neutron star is born hot, its internal composition is close to chemical equilibrium. In the fluid core, this implies that the ratio of the number densities of charged particles (protons and electrons) to neutrons is an increasing function of the mass density. This composition gradient stably stratifies the matter giving rise to a Brunt-Vaisala frequency N of about 500/s. Consequently, a neutron star core provides a cavity that supports gravity modes (g-modes). These g-modes are distinct from those previously identified with the thermal stratification of the surface layers and the chemical stratification of the crust. We compute the lowest-order, quadrupolar, g-modes for cold, Newtonian, neutron star models with M/solar M = 0.581 and M/solar M = 1.405, and show that the crustal and core g-modes have similar periods. We also discuss damping mechanisms and estimate damping rates for the core g-modes. Particular attention is paid to damping due to the emission of gravitational radiation.

Twisted magnetosphere with quadrupolar fields in the exterior of a neutron star

NASA Astrophysics Data System (ADS)

Kojima, Yasufumi

2018-04-01

The magnetar magnetosphere is gradually twisted by shearing from footpoint motion, and stored magnetic energy also increases at the same time. When a state exceeds a threshold, flares/outbursts manifest themselves as a result of a catastrophic transition. Axisymmetric static solutions for a relativistic force-free magnetosphere with dipole-quadrupole mixed fields at the surface have been calculated. The quadrupole component represents a kind of magnetic-field irregularity at a small scale. Locally twisted models are constructed by limiting current flow regions, where the small part originates from a dipole-quadrupole mixture. The energy along a sequence of equilibria increases and becomes sufficient to open the magnetic field in some models. In energetically metastable states, a magnetic flux rope is formed in the vicinity of the star. The excess energy may be ejected as a magnetar flare/outburst. The general relativistic gravity is sufficient to confine the flux rope and to store huge magnetic energy, and the mechanism is also discussed.

Communication: Nuclear quadrupole moment-induced Cotton-Mouton effect in noble gas atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Li-juan; Vaara, Juha, E-mail: juha.vaara@iki.fi; Rizzo, Antonio

New, high-sensitivity and high-resolution spectroscopic and imaging methods may be developed by exploiting nuclear magneto-optic effects. A first-principles electronic structure formulation of nuclear electric quadrupole moment-induced Cotton-Mouton effect (NQCME) is presented for closed-shell atoms. In NQCME, aligned quadrupole moments alter the index of refraction of the medium along with and perpendicular to the direction of nuclear alignment. The roles of basis-set convergence, electron correlation, and relativistic effects are investigated for three quadrupolar noble gas isotopes: {sup 21}Ne, {sup 83}Kr, and {sup 131}Xe. The magnitude of the resulting ellipticities is predicted to be 10{sup −4}–10{sup −6} rad/(M cm) for fully spin-polarized nuclei.more » These should be detectable in the Voigt setup. Particularly interesting is the case of {sup 131}Xe, in which a high degree of spin polarization can be achieved via spin-exchange optical hyperpolarization.« less

17O NMR Investigation of Water Structure and Dynamics

PubMed Central

Keeler, Eric G.; Michaelis, Vladimir K.; Griffin, Robert G.

2017-01-01

The structure and dynamics of the bound water in barium chlorate monohydrate were studied with 17O nuclear magnetic resonance (NMR) spectroscopy in samples that are stationary and spinning at the magic-angle in magnetic fields ranging from 14.1 to 21.1 T. 17O NMR parameters of the water were determined, and the effects of torsional oscillations of the water molecule on the 17O quadrupolar coupling constant (CQ) were delineated with variable temperature MAS NMR. With decreasing temperature and reduction of the librational motion, we observe an increase in the experimentally measured CQ explaining the discrepancy between experiments and predictions from density functional theory. In addition, at low temperatures and in the absence of 1H decoupling, we observe a well-resolved 1H–17O dipole splitting in the spectra, which provides information on the structure of the H2O molecule. The splitting arises because of the homogeneous nature of the coupling between the two 1H–17O dipoles and the 1H–1H dipole. PMID:27454747

Plasmon transmutation: inducing new modes in nanoclusters by adding dielectric nanoparticles.

PubMed

Wen, Fangfang; Ye, Jian; Liu, Na; Van Dorpe, Pol; Nordlander, Peter; Halas, Naomi J

2012-09-12

Planar clusters of coupled plasmonic nanoparticles support nanoscale electromagnetic "hot spots" and coherent effects, such as Fano resonances, with unique near and far field signatures, currently of prime interest for sensing applications. Here we show that plasmonic cluster properties can be substantially modified by the addition of individual, discrete dielectric nanoparticles at specific locations on the cluster, introducing new plasmon modes, or transmuting existing plasmon modes to new ones, in the resulting metallodielectric nanocomplex. Depositing a single carbon nanoparticle in the junction between a pair of adjacent nanodisks induces a metal-dielectric-metal quadrupolar plasmon mode. In a ten-membered cluster, placement of several carbon nanoparticles in junctions between multiple adjacent nanoparticles introduces a collective magnetic plasmon mode into the Fano dip, giving rise to an additional subradiant mode in the metallodielectric nanocluster response. These examples illustrate that adding dielectric nanoparticles to metallic nanoclusters expands the number and types of plasmon modes supported by these new mixed-media nanoscale assemblies.

Multipolar second harmonic generation in a symmetric nonlinear metamaterial

DOE PAGES

Wolf, Omri; Campione, Salvatore; Yang, Yuanmu; ...

2017-08-14

Optical nonlinearities are intimately related to the spatial symmetry of the nonlinear media. For example, the second order susceptibility vanishes for centrosymmetric materials under the dipole approximation. The latter concept has been naturally extended to the metamaterials’ realm, sometimes leading to the (erroneous) hypothesis that second harmonic (SH) generation is negligible in highly symmetric meta-atoms. In this work we aim to show that such symmetric meta-atoms can radiate SH light efficiently. In particular, we investigate in-plane centrosymmetric meta-atom designs where the approximation for meta-atoms breaks down. In a periodic array this building block allows us to control the directionality ofmore » the SH radiation. We conclude by showing that the use of symmetry considerations alone allows for the manipulation of the nonlinear multipolar response of a meta-atom, resulting in e.g. dipolar, quadrupolar, or multipolar emission on demand. This is because the size of the meta-atom is comparable with the free-space wavelength, thus invalidating the dipolar approximation for meta-atoms.« less

Monte Carlo simulations of the spin-2 Blume-Emery-Griffiths model with four-spin interactions

NASA Astrophysics Data System (ADS)

Jabar, A.; Masrour, R.; Jetto, K.; Bahmad, L.; Benyoussef, A.; Hamedoun, M.

2016-12-01

The magnetic properties of a spin S = 2 Ising system with bilinear exchange interaction J1, the biquadratic exchange interaction K, four-spin exchange interactions J4 and crystal field Δ are discussed using the Monte Carlo simulation. The lattice is divided into two sublattices: A and B, for which we compute the magnetizations mA and mB. The phase obtained diagrams of this system are deduced in the planes: (T, Δ/J1), (K/J1, Δ/J1), (Δ/J1, J4/J1) and (J4/J1, K/J1). In addition to the usual phases, we found a new phase called nonmagnetic quadratic, for which the magnetizations are mA ≠ mB and the quadrupolar moments are so that are qA = qB. Furthermore, the behavior of the magnetizations as a function of temperature, crystal field, four-spin exchange interactions and biquadratic exchange interaction are deduced.

79/81Br nuclear quadrupole resonance spectroscopic characterization of halogen bonds in supramolecular assemblies.

PubMed

Cerreia Vioglio, P; Szell, P M J; Chierotti, M R; Gobetto, R; Bryce, D L

2018-05-28

Despite the applicability of solid-state NMR to study the halogen bond, the direct NMR detection of 79/81 Br covalently bonded to carbon remains impractical due to extremely large spectral widths, even at ultra-high magnetic fields. In contrast, nuclear quadrupole resonance (NQR) offers comparatively sharp resonances. Here, we demonstrate the abilities of 79/81 Br NQR to characterize the electronic changes in the C-Br···N halogen bonding motifs found in supramolecular assemblies constructed from 1,4-dibromotetrafluorobenzene and nitrogen-containing heterocycles. An increase in the bromine quadrupolar coupling constant is observed, which correlates linearly with the halogen bond distance ( d Br···N ). Notably, 79/81 Br NQR is able to distinguish between two symmetry-independent halogen bonds in the same crystal structure. This approach offers a rapid and reliable indication for the occurrence of a halogen bond, with experimental times limited only by the observation of 79/81 Br NQR resonances.

Magnetic and Mössbauer characterization of the magnetic properties of single-crystalline sub-micron sized Bi₂Fe₄O₉ cubes

DOE PAGES

Papaefthymiou, Georgia C.; Wong, Stanislaus S.; Viescas, Arthur J.; ...

2014-11-25

Magnetic and Mössbauer characterization of single crystalline, sub-micron sized Bi₂Fe₄O₉ cubes has been performed using SQUID magnetometry and transmission Mössbauer spectroscopy in the temperature range of 4.2 K ≤ T ≤ 300 K. A broad magnetic phase transition from the paramagnetic to the anti-ferromagnetic state is observed below 250 K, with the Mössbauer spectra exhibiting a superposition of magnetic, collapsed and quadrupolar spectra in the transition region of 200 K < T < 245 K. Room temperature Mössbauer spectra obtained in transmission geometry are identical to those recorded in back-scattering geometry via conversion electron Mössbauer spectroscopy, indicating the absence ofmore » strain at the surface. A small hysteresis loop is observed in SQUID measurements at 5 K, attributable to the presence of weak-ferromagnetism arising from the canting of Fe³⁺ ion sublattices in the antiferromagnetic matrix.« less

Crystallographic and Mössbauer investigations on Np1- xPuxB2

NASA Astrophysics Data System (ADS)

Chipaux, R.; Bonnisseau, D.; Bogé, M.; Larroque, J.

1988-08-01

The diborides of neptunium and plutonium and their solid solutions Np 1- xPu xB 2 have been synthesized by direct reaction with a good purity. The lattice parameters follow Vegard's law. The magnetic properties of the samples containing neptunium have been investigated by Mössbauer spectrometry. The isomer shift is almost constant in all compounds (-14.5 (0.2) mm/s resp. to NpAl 2), suggesting tetravalent Np ions. At high temperatures, a large quadrupolar interaction, clearly connected to the crystal structure, is observed in all compounds, decreasing slowly with the neptunium concentration. At low temperature, magnetic patterns appear for x ⩽ 0.5. The magnetic moments are ordered perpendicular to the c-axis and equal to 0.57μ B for x = 0. In Np 0.5Pu 0.5B 2 and, in less degree in Np 0.7Pu 0.3B 2 and Np 0.33Pu 0.67B 2, magnetic fluctuations are detec ted.

Multipolar second-harmonic generation by Mie-resonant dielectric nanoparticles

NASA Astrophysics Data System (ADS)

Smirnova, Daria; Smirnov, Alexander I.; Kivshar, Yuri S.

2018-01-01

By combining analytical and numerical approaches, we study resonantly enhanced second-harmonic generation by individual high-index dielectric nanoparticles made of centrosymmetric materials. Considering both bulk and surface nonlinearities, we describe second-harmonic nonlinear scattering from a silicon nanoparticle optically excited in the vicinity of the magnetic and electric dipolar resonances. We discuss the contributions of different nonlinear sources and the effect of the low-order optical Mie modes on the characteristics of the generated far field. We demonstrate that the multipolar expansion of the radiated field is dominated by dipolar and quadrupolar modes (two axially symmetric electric quadrupoles, an electric dipole, and a magnetic quadrupole) and the interference of these modes can ensure directivity of the nonlinear scattering. The developed multipolar analysis can be instructive for interpreting the far-field measurements of the nonlinear scattering and it provides prospective insights into a design of complementary metal-oxide-semiconductor compatible nonlinear nanoantennas fully integrated with silicon-based photonic circuits, as well as methods of nonlinear diagnostics.

Twisted magnetosphere with quadrupolar fields in the exterior of a neutron star

NASA Astrophysics Data System (ADS)

Kojima, Yasufumi

2018-07-01

The magnetar magnetosphere is gradually twisted by shearing from footpoint motion, and stored magnetic energy also increases at the same time. When a state exceeds a threshold, flares/outbursts manifest themselves as a result of a catastrophic transition. Axisymmetric static solutions for a relativistic force-free magnetosphere with dipole-quadrupole mixed fields at the surface have been calculated. The quadrupole component represents a kind of magnetic-field irregularity at a small scale. Locally twisted models are constructed by limiting current flow regions, where the small part originates from a dipole-quadrupole mixture. The energy along a sequence of equilibria increases and becomes sufficient to open the magnetic field in some models. In energetically metastable states, a magnetic flux rope is formed in the vicinity of the star. The excess energy may be ejected as a magnetar flare/outburst. The general relativistic gravity is sufficient to confine the flux rope and to store huge magnetic energy, and the mechanism is also discussed.

A Thermal Performance Analysis and Comparison of Fiber Coils with the D-CYL Winding and QAD Winding Methods.

PubMed

Li, Xuyou; Ling, Weiwei; He, Kunpeng; Xu, Zhenlong; Du, Shitong

2016-06-16

The thermal performance under variable temperature conditions of fiber coils with double-cylinder (D-CYL) and quadrupolar (QAD) winding methods is comparatively analyzed. Simulation by the finite element method (FEM) is done to calculate the temperature distribution and the thermal-induced phase shift errors in the fiber coils. Simulation results reveal that D-CYL fiber coil itself has fragile performance when it experiences an axially asymmetrical temperature gradient. However, the axial fragility performance could be improved when the D-CYL coil meshes with a heat-off spool. Through further simulations we find that once the D-CYL coil is provided with an axially symmetrical temperature environment, the thermal performance of fiber coils with the D-CYL winding method is better than that with the QAD winding method under the same variable temperature conditions. This valuable discovery is verified by two experiments. The D-CYL winding method is thus promising to overcome the temperature fragility of interferometric fiber optic gyroscopes (IFOGs).

A Thermal Performance Analysis and Comparison of Fiber Coils with the D-CYL Winding and QAD Winding Methods

PubMed Central

Li, Xuyou; Ling, Weiwei; He, Kunpeng; Xu, Zhenlong; Du, Shitong

2016-01-01

The thermal performance under variable temperature conditions of fiber coils with double-cylinder (D-CYL) and quadrupolar (QAD) winding methods is comparatively analyzed. Simulation by the finite element method (FEM) is done to calculate the temperature distribution and the thermal-induced phase shift errors in the fiber coils. Simulation results reveal that D-CYL fiber coil itself has fragile performance when it experiences an axially asymmetrical temperature gradient. However, the axial fragility performance could be improved when the D-CYL coil meshes with a heat-off spool. Through further simulations we find that once the D-CYL coil is provided with an axially symmetrical temperature environment, the thermal performance of fiber coils with the D-CYL winding method is better than that with the QAD winding method under the same variable temperature conditions. This valuable discovery is verified by two experiments. The D-CYL winding method is thus promising to overcome the temperature fragility of interferometric fiber optic gyroscopes (IFOGs). PMID:27322271

A new dipole-free sum-over-states expression for the second hyperpolarizability

NASA Astrophysics Data System (ADS)

Pérez-Moreno, Javier; Clays, Koen; Kuzyk, Mark G.

2008-02-01

The generalized Thomas-Kuhn sum rules are used to eliminate the explicit dependence on dipolar terms in the traditional sum-over-states (SOS) expression for the second hyperpolarizability to derive a new, yet equivalent, SOS expression. This new dipole-free expression may be better suited to study the second hyperpolarizability of nondipolar systems such as quadrupolar, octupolar, and dodecapolar structures. The two expressions lead to the same fundamental limits of the off-resonance second hyperpolarizability; and when applied to a particle in a box and a clipped harmonic oscillator, have the same frequency dependence. We propose that the new dipole-free equation, when used in conjunction with the standard SOS expression, can be used to develop a three-state model of the dispersion of the third-order susceptibility that can be applied to molecules in cases where normally many more states would have been required. Furthermore, a comparison between the two expressions can be used as a convergence test of molecular orbital calculations when applied to the second hyperpolarizability.

The amplitude and spectral index of the large angular scale anisotropy in the cosmic microwave background radiation

NASA Technical Reports Server (NTRS)

Ganga, Ken; Page, Lyman; Cheng, Edward; Meyer, Stephan

1994-01-01

In many cosmological models, the large angular scale anisotropy in the cosmic microwave background is parameterized by a spectral index, n, and a quadrupolar amplitude, Q. For a Harrison-Peebles-Zel'dovich spectrum, n = 1. Using data from the Far Infrared Survey (FIRS) and a new statistical measure, a contour plot of the likelihood for cosmological models for which -1 less than n less than 3 and 0 equal to or less than Q equal to or less than 50 micro K is obtained. Depending upon the details of the analysis, the maximum likelihood occurs at n between 0.8 and 1.4 and Q between 18 and 21 micro K. Regardless of Q, the likelihood is always less than half its maximum for n less than -0.4 and for n greater than 2.2, as it is for Q less than 8 micro K and Q greater than 44 micro K.

Modeling of flow-dominated MHD instabilities at WiPPAL using NIMROD

NASA Astrophysics Data System (ADS)

Flanagan, K.; McCollam, K. J.; Milhone, J.; Mirnov, V. V.; Nornberg, M. D.; Peterson, E. E.; Siller, R.; Forest, C. B.

2017-10-01

Using the NIMROD (non-ideal MHD with rotation - open discussion) code developed at UW-Madison, we model two different flow scenarios to study the onset of MHD instabilities in flow-dominated plasmas in the Big Red Ball (BRB) and the Plasma Couette Experiment (PCX). Both flows rely on volumetric current drive, where a large current is drawn through the plasma across a weak magnetic field, injecting J × B torque across the whole volume. The first scenario uses a vertical applied magnetic field and a mostly radial injected current to create Couette-like flows which may excite the magnetorotational instability (MRI). In the other scenario, a quadrupolar field is applied to create counter-rotating von Karman-like flow that demonstrates a dynamo-like instability. For both scenarios, the differences between Hall and MHD Ohm's laws are explored. The implementation of BRB geometry in NIMROD, details of the observed flows, and instability results are shown. This work was funded by DoE and NSF.

Application of Printed Circuit Board Technology to FT-ICR MS Analyzer Cell Construction and Prototyping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leach, Franklin E.; Norheim, Randolph V.; Anderson, Gordon A.

Although Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS) remains themass spectrometry platform that provides the highest levels of performance for mass accuracy and resolving power, there is room for improvement in analyzer cell design as the ideal quadrupolar trapping potential has yet to be generated for a broadband MS experiment. To this end, analyzer cell designs have improved since the field’s inception, yet few research groups participate in this area because of the high cost of instrumentation efforts. As a step towards reducing this barrier to participation and allowing for more designs to be physically tested, we introduce amore » method of FT-ICR analyzer cell prototyping utilizing printed circuit boards at modest vacuum conditions. This method allows for inexpensive devices to be readily fabricated and tested over short intervals and should open the field to laboratories lacking or unable to access high performance machine shop facilities because of the required financial investment.« less

Kn 26, a new quadrupolar planetary nebula

NASA Astrophysics Data System (ADS)

Guerrero, M. A.; Miranda, L. F.; Ramos-Larios, G.; Vázquez, R.

2013-03-01

Once classified as an emission line source, the planetary nebula (PN) nature of the source Kn 26 has only recently been recognized in digital sky surveys. To investigate the spectral properties and spatio-kinematical structure of Kn 26, we have obtained high spatial-resolution optical and near-IR narrow-band images, high-dispersion long-slit echelle spectra, and intermediate-resolution spectroscopic observations. The new data reveal an hourglass morphology typical of bipolar PNe. A detailed analysis of its morphology and kinematics discloses the presence of a second pair of bipolar lobes, making Kn 26 a new member of the subclass of quadrupolar PNe. The time lapse between the ejection of the two pairs of bipolar lobes is much shorter than their dynamical ages, implying a rapid change in the preferential direction of the central engine. The chemical composition of Kn 26 is particularly unusual among PNe, with a low N/O ratio (as for type II PNe) and a high helium abundance (as for type I PNe), although not atypical among symbiotic stars. Such an anomalous chemical composition may have resulted from the curtailment of the time in the asymptotic giant branch by the evolution of the progenitor star through a common envelope phase. Based on observations made with the Nordic Optical Telescope (NOT) and the William Herschel Telescope (WHT) on the island of La Palma in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofísica de Canarias (IAC), the 2.1-m telescope of the Observatorio Astronómico Nacional at the Sierra de San Pedro Mártir (OAN-SPM), and the 1.5-m telescope at the Observatorio de Sierra Nevada (OSN), Granada, Spain. NOT is operated jointly by Denmark, Finland, Iceland, Norway, and Sweden. WHT is operated by the Isaac Newton Group. The 2.1-m telescope at the OAN-SPM is a national facility operated by the Instituto de Astronomía of the Universidad Nacional Autónoma de México. The 1.5-m telescope at the OSN is operated by the Instituto de Astrofísica de Andalucía (IAA).The data presented here were obtained in part with ALFOSC, which is provided by the IAA under a joint agreement with the University of Copenhagen and NOTSA.FITS files for spectra and images are available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr(130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/551/A53

Spin exchange optical pumping of neon and its applications

NASA Astrophysics Data System (ADS)

Ghosh, Rajat K.

Hyperpolarized noble gases are used in a variety of applications including medical diagnostic lung imaging, tests of fundamental symmetries, spin filters, atomic gyroscopes, and atomic magnetometers. Typically 3He is utilized because large 3He polarizations on the order of 80% can be achieved. This is accomplished by optically pumping an alkali vapour which polarizes a noble gas nucleus via spin exchange optical pumping. One hyperpolarized noble gas application of particular importance is the K-3He co-magnetometer. Here, the alkali atoms optically pump a diamagnetic noble gas. The magnetic holding field for the alkali and noble gas is reduced until both species are brought into hybrid magnetic resonance. The co-magnetometer exhibits many useful attributes which make it ideal for tests of fundamental physics, such as insensitivity to magnetic fields. The co-magnetometer would demonstrate increased sensitivity by replacing 3He with polarized 21Ne gas. Tests of CPT violation using co-magnetometers would be greatly improved if one utilizes polarized 21Ne gas. The sensitivity of the nuclear spin gyroscope is inversely proportional to the gyromagnetic ratio of the noble gas. Switching to neon would instigate an order of magnitude gain in sensitivity over 3He. In order to realize these applications the interaction parameters of 21Ne with alkali metals must be measured. The spin-exchange cross section sigmase, and magnetic field enhancement factor kappa0 are unknown, and have only been theoretically calculated. There are no quantitative predictions of the neon-neon quadrupolar relaxation rate Gammaquad. In this thesis I test the application of a K-3He co-magnetometer as a navigational gyroscope. I discuss the advantages of switching the buffer gas to 21Ne. I discuss the feasibility of utilizing polarized 21Ne for operation in a co-magnetometer, and construct a prototype 21Ne co-magnetometer. I investigate polarizing 21Ne with optical pumping via spin exchange collisions and measure the spin exchange rate coefficient of K and Rb with Ne to be 2.9 x 10-20cm 3/s and 0.81 x 10-19cm3/s. We measure the magnetic field enhancement factor kappa0 to be 30.8 +/- 2.7, and 35.7 +/- 3.7 for the K-Ne, and the Rb-Ne pair. We measure the quadrupolar relaxation coefficient to be 214 +/- 10 Amagat˙s. Furthermore the spin destruction cross section of Rb, and K with 21 Ne is measured to be 1.9 x 10-23cm2 and 1.1 x 10-23cm2.

Compact Nonlinear Yagi-Uda Nanoantennas.

PubMed

Xiong, Xiaoyan Y Z; Jiang, Li Jun; Sha, Wei E I; Lo, Yat Hei; Chew, Weng Cho

2016-01-07

Nanoantennas have demonstrated unprecedented capabilities for manipulating the intensity and direction of light emission over a broad frequency range. The directional beam steering offered by nanoantennas has important applications in areas including microscopy, spectroscopy, quantum computing, and on-chip optical communication. Although both the physical principles and experimental realizations of directional linear nanoantennas has become increasingly mature, angular control of nonlinear radiation using nanoantennas has not been explored yet. Here we propose a novel concept of nonlinear Yagi-Uda nanoantenna to direct second harmonic radiation from a metallic nanosphere. By carefully tuning the spacing and dimensions of two lossless dielectric elements, which function respectively as a compact director and reflector, the second harmonic radiation is deflected 90 degrees with reference to the incident light (pump) direction. This abnormal light-bending phenomenon is due to the constructive and destructive interference between the second harmonic radiation governed by a special selection rule and the induced electric dipolar and magnetic quadrupolar radiation from the two dielectric antenna elements. Simultaneous spectral and spatial isolation of scattered second harmonic waves from incident fundamental waves pave a new way towards nonlinear signal detection and sensing.

1974: the discovery of the first binary pulsar

NASA Astrophysics Data System (ADS)

Damour, Thibault

2015-06-01

The 1974 discovery, by Russell A Hulse and Joseph H Taylor, of the first binary pulsar, PSR B1913+16, opened up new possibilities for the study of relativistic gravity. PSR B1913+16, as well as several other binary pulsars, provided direct observational proof that gravity propagates at the velocity of light and has a quadrupolar structure. Binary pulsars also provided accurate tests of the strong-field regime of relativistic gravity. General relativity has passed all of the binary pulsar tests with flying colors. The discovery of binary pulsars also had very important consequences for astrophysics, leading to accurate measurement of neutron star masses, improved understanding of the possible evolution scenarios for the co-evolution of binary stars, and proof of the existence of binary neutron stars emitting gravitational waves for hundreds of millions of years, before coalescing in catastrophic events radiating intense gravitational wave signals, and probably also leading to important emissions of electromagnetic radiation and neutrinos. This article reviews the history of the discovery of the first binary pulsar, and describes both its immediate impact and its longer-term effect on theoretical and experimental studies of relativistic gravity.

Theoretical and experimental analysis of a linear accelerator endowed with single feed coupler with movable short-circuit.

PubMed

Dal Forno, Massimo; Craievich, Paolo; Penco, Giuseppe; Vescovo, Roberto

2013-11-01

The front-end injection systems of the FERMI@Elettra linac produce high brightness electron beams that define the performance of the Free Electron Laser. The photoinjector mainly consists of the radiofrequency (rf) gun and of two S-band rf structures which accelerate the beam. Accelerating structures endowed with a single feed coupler cause deflection and degradation of the electron beam properties, due to the asymmetry of the electromagnetic field. In this paper, a new type of single feed structure with movable short-circuit is proposed. It has the advantage of having only one waveguide input, but we propose a novel design where the dipolar component is reduced. Moreover, the racetrack geometry allows to reduce the quadrupolar component. This paper presents the microwave design and the analysis of the particle motion inside the linac. A prototype has been machined at the Elettra facility to verify the new coupler design and the rf field has been measured by adopting the bead-pull method. The results are here presented, showing good agreement with the expectations.

Directional Fano resonances in light scattering by a high refractive index dielectric sphere

NASA Astrophysics Data System (ADS)

Tribelsky, Michael I.; Geffrin, Jean-Michel; Litman, Amelie; Eyraud, Christelle; Moreno, Fernando

2016-09-01

We report the experimental evidence of directional Fano resonances at the scattering of a linearly polarized electromagnetic plane wave by a homogeneous dielectric sphere with a high refractive index and low losses. We observe a typical asymmetric Fano profile for the intensity scattered in practically any given direction, while the overall extinction cross section remains Lorentzian. The phenomenon originates in the interference of the selectively excited electric dipolar and quadrupolar modes. The selectivity of the excitation is achieved by the proper choice of the frequency of the incident wave. Owing to the scaling invariance of the Maxwell equations, in these experiments we mimic the scattering of the visible and near IR radiation by a nanoparticle made of common semiconductor materials (Si, Ge, GaAs, GaP) by the equivalent scattering of a spherical particle of 18 mm in diameter in the microwave range. The theory developed to explain the experiments extends the conventional Fano approach to the case when both interfering partitions are resonant. A perfect agreement between the experiment and the theory is demonstrated.

Collective Modes in a Trapped Gas from Second-Order Hydrodynamics

NASA Astrophysics Data System (ADS)

Lewis, William; Romatschke, Paul

Navier-Stokes equations are often used to analyze collective oscillations and expansion dynamics of strongly interacting quantum gases. However, their use, for example, in precision determination of transport properties such as the ratio shear viscosity to entropy density (η / s) in strongly interacting Fermi gases problematic. Second-order hydrodynamics addresses this by promoting the viscous stress tensor to a hydrodynamic variable relaxing to the Navier-Stokes form on a timescale τπ. We derive frequencies, damping rates, and spatial structure of collective oscillations up to the decapole mode of a harmonically trapped gas in this framework. We find damping of higher-order modes (i.e. beyond quadrupolar) exhibits greater sensitivity to shear viscosity. Thus measurement of the hexapolar mode, for example, may lead to a stronger experimental constraint on η / s . Additionally, we find ``non-hydrodynamic'' modes not contained in a Navier-Stokes description. We calculate excitation amplitudes of non-hydrodynamic modes demonstrating they should be observable. Non-hydrodynamic modes may have implications for the hydrodynamization timescale, the existence of quasi-particles, and universal transport behavior in strongly interacting quantum fluids.

Gyroscopic effect in low-energy classical capture of a rotating quadrupolar diatom by an ion.

PubMed

Dashevskaya, Elena; Litvin, Iliya; Nikitin, Evgueni

2006-03-09

The low-energy capture of homonuclear diatoms by ions is due mainly to the long-range part of the interpartner potential with leading terms that correspond to charge-quadrupole interaction and charge-induced dipole interaction. The capture dynamics is described by the perturbed-rotor adiabatic potentials and the Coriolis interaction between manifold of states that belong to a given value of the intrinsic angular momentum. When the latter is large enough, it can noticeably affect the capture cross section calculated in the adiabatic channel approximation due to the gyroscopic property of a rotating diatom. This paper presents the low-energy (low-temperature) state-selected partial and mean capture cross sections (rate coefficients) for the charge-quadrupole interaction that include the gyroscopic effect (decoupling of intrinsic angular momentum from the collision axis), quantum correction for the diatom rotation, and the correction for the charge-induced dipole interaction. These results complement recent studies on the gyroscopic effect in the quantum regime of diatom-ion capture (Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Troe, J. J. Chem. Phys. 2004, 120, 9989-9997).

Compact Nonlinear Yagi-Uda Nanoantennas

PubMed Central

Xiong, Xiaoyan Y. Z.; Jiang, Li Jun; Sha, Wei E. I.; Lo, Yat Hei; Chew, Weng Cho

2016-01-01

Nanoantennas have demonstrated unprecedented capabilities for manipulating the intensity and direction of light emission over a broad frequency range. The directional beam steering offered by nanoantennas has important applications in areas including microscopy, spectroscopy, quantum computing, and on-chip optical communication. Although both the physical principles and experimental realizations of directional linear nanoantennas has become increasingly mature, angular control of nonlinear radiation using nanoantennas has not been explored yet. Here we propose a novel concept of nonlinear Yagi-Uda nanoantenna to direct second harmonic radiation from a metallic nanosphere. By carefully tuning the spacing and dimensions of two lossless dielectric elements, which function respectively as a compact director and reflector, the second harmonic radiation is deflected 90 degrees with reference to the incident light (pump) direction. This abnormal light-bending phenomenon is due to the constructive and destructive interference between the second harmonic radiation governed by a special selection rule and the induced electric dipolar and magnetic quadrupolar radiation from the two dielectric antenna elements. Simultaneous spectral and spatial isolation of scattered second harmonic waves from incident fundamental waves pave a new way towards nonlinear signal detection and sensing. PMID:26738692

Measurements of Induced-Charge Electroosmotic Flow Around a Metallic Rod

NASA Astrophysics Data System (ADS)

Beskok, Ali; Canpolat, Cetin

2012-11-01

A cylindrical gold-coated stainless steel rod was positioned at the center of a straight microchannel connecting two fluid reservoirs on either end. The microchannel was filled with 1 mM KCl containing 0.5 micron diameter carboxylate-modified spherical particles. Induced-charge electro-osmotic (ICEO) flow occurred around the metallic rod under a sinusoidal AC electric field applied using two platinum electrodes. The ICEO flows around the metallic rod were measured using micro particle image velocimetry (micro-PIV) technique as functions of the AC electric field strength and frequency. The present study provides experimental data about ICEO flow in the weakly nonlinear limit of thin double layers, in which, the charging dynamics of the double layer cannot be presented analytically. Flow around the rod is quadrupolar, driving liquid towards the rod along the electric field and forcing it away from the rod in the direction perpendicular to the imposed electric field. The measured ICEO flow velocity is proportional to the square of the electric field strength, and depends on the applied AC frequency.

Current sheet formation in a sheared force-free-magnetic field. [in sun

NASA Technical Reports Server (NTRS)

Wolfson, Richard

1989-01-01

This paper presents the results of a study showing how continuous shearing motion of magnetic footpoints in a tenuous, infinitely conducting plasma can lead to the development of current sheets, despite the absence of such sheets or even of neutral points in the initial state. The calculations discussed here verify the earlier suggestion by Low and Wolfson (1988) that extended current sheets should form due to the shearing of a force-free quadrupolar magnetic field. More generally, this work augments earlier studies suggesting that the appearance of discontinuities - current sheets - may be a necessary consequence of the topological invariance imposed on the magnetic field geometry of an ideal MHD system by virtue of its infinite conductivity. In the context of solar physics, the work shows how the gradual and continuous motion of magnetic footpoints at the solar photosphere may lead to the buildup of magnetic energy that can then be released explosively when finite conductivity effects become important and lead to the rapid dissipation of current sheets. Such energy release may be important in solar flares, coronal mass ejections, and other eruptive events.

NMR resonance splitting of urea in stretched hydrogels: proton exchange and (1)H/(2)H isotopologues.

PubMed

Kuchel, Philip W; Naumann, Christoph; Chapman, Bogdan E; Shishmarev, Dmitry; Håkansson, Pär; Bacskay, George; Hush, Noel S

2014-10-01

Urea at ∼12 M in concentrated gelatin gel, that was stretched, gave (1)H and (2)H NMR spectral splitting patterns that varied in a predictable way with changes in the relative proportions of (1)H2O and (2)H2O in the medium. This required consideration of the combinatorics of the two amide groups in urea that have a total of four protonation/deuteration sites giving rise to 16 different isotopologues, if all the atoms were separately identifiable. The rate constant that characterized the exchange of the protons with water was estimated by back-transformation analysis of 2D-EXSY spectra. There was no (1)H NMR spectral evidence that the chiral gelatin medium had caused in-equivalence in the protons bonded to each amide nitrogen atom. The spectral splitting patterns in (1)H and (2)H NMR spectra were accounted for by intra-molecular scalar and dipolar interactions, and quadrupolar interactions with the electric field gradients of the gelatin matrix, respectively. Copyright © 2014 Elsevier Inc. All rights reserved.

Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study.

PubMed

Spada, Lorenzo; Tasinato, Nicola; Vazart, Fanny; Barone, Vincenzo; Caminati, Walther; Puzzarini, Cristina

2017-04-06

The 1:1 complex of ammonia with pyridine is characterized by using state-of-the-art quantum-chemical computations combined with pulsed-jet Fourier-transform microwave spectroscopy. The computed potential energy landscape indicates the formation of a stable σ-type complex, which is confirmed experimentally: analysis of the rotational spectrum shows the presence of only one 1:1 pyridine-ammonia adduct. Each rotational transition is split into several components owing to the internal rotation of NH 3 around its C 3 axis and to the hyperfine structure of both 14 N quadrupolar nuclei, thus providing unequivocal proof that the two molecules form a σ-type complex involving both a N-H⋅⋅⋅N and a C-H⋅⋅⋅N hydrogen bond. The dissociation energy (BSSE- and ZPE-corrected) is estimated to be 11.5 kJ mol -1 . This work represents the first application of an accurate yet efficient computational scheme, designed for the investigation of small biomolecules, to a molecular cluster. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-Covalent Interactions and Internal Dynamics in Pyridine-Ammonia a Combined Quantum-Chemical and Microwave Spectroscopy Study

NASA Astrophysics Data System (ADS)

Spada, Lorenzo; Tasinato, Nicola; Vazart, Fanny; Barone, Vincenzo; Caminati, Walther; Puzzarini, Cristina

2017-06-01

The 1:1 complex of ammonia with pyridine has been characterized by using state-of-the-art quantum-chemical computations combined with pulsed-jet Fourier-Transform microwave spectroscopy. The computed potential energy landscape pointed out the formation of a stable σ-type complex, which has been confirmed experimentally: the analysis of the rotational spectrum showed the presence of only one 1:1 pyridine - ammonia adduct. Each rotational transition is split into several components due to the internal rotation of NH_3 around its C_3 axis and to the hyperfine structure of both ^{14}N quadrupolar nuclei, thus providing the unequivocal proof that the two molecules form a σ-type complex involving both a N-H\\cdotsN and a C-H\\cdotsN hydrogen bond. The dissociation energy (BSSE and ZPE corrected) has been estimated to be 11.5 kJ\\cdotmol^{-1}. This work represents the first application of an accurate, yet efficient computational scheme, designed for the investigation of small biomolecules, to a molecular cluster.

Ab initio 27Al NMR chemical shifts and quadrupolar parameters for Al2O3 phases and their precursors

NASA Astrophysics Data System (ADS)

Ferreira, Ary R.; Küçükbenli, Emine; Leitão, Alexandre A.; de Gironcoli, Stefano

2011-12-01

The gauge-including projector augmented wave (GIPAW) method, within the density functional theory (DFT) generalized gradient approximation (GGA) framework, is applied to compute solid state NMR parameters for 27Al in the α, θ, and κ aluminium oxide phases and their gibbsite and boehmite precursors. The results for well established crystalline phases compare very well with available experimental data and provide confidence in the accuracy of the method. For γ-alumina, four structural models proposed in the literature are discussed in terms of their ability to reproduce the experimental spectra also reported in the literature. Among the considered models, the Fd3¯m structure proposed by Paglia [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.71.224115 71, 224115 (2005)] shows the best agreement. We attempt to link the theoretical NMR parameters to the local geometry. Chemical shifts depend on coordination number but no further correlation is found with geometrical parameters. Instead, our calculations reveal that, within a given coordination number, a linear correlation exists between chemical shifts and Born effective charges.

Experimental verification of acoustic pseudospin multipoles in a symmetry-broken snowflakelike topological insulator

NASA Astrophysics Data System (ADS)

Zhang, Zhiwang; Tian, Ye; Cheng, Ying; Liu, Xiaojun; Christensen, Johan

2017-12-01

Topologically protected wave engineering in artificially structured media resides at the frontier of ongoing metamaterials research, which is inspired by quantum mechanics. Acoustic analogs of electronic topological insulators have recently led to a wealth of new opportunities in manipulating sound propagation by means of robust edge mode excitations through analogies drawn to exotic quantum states. A variety of artificial acoustic systems hosting topological edge states have been proposed analogous to the quantum Hall effect, topological insulators, and Floquet topological insulators in electronic systems. However, those systems were characterized by a fixed geometry and a very narrow frequency response, which severely hinders the exploration and design of useful applications. Here we establish acoustic multipolar pseudospin states as an engineering degree of freedom in time-reversal invariant flow-free phononic crystals and develop reconfigurable topological insulators through rotation of their meta-atoms and reshaping of the metamolecules. Specifically, we show how rotation forms man-made snowflakelike molecules, whose topological phase mimics pseudospin-down (pseudospin-up) dipolar and quadrupolar states, which are responsible for a plethora of robust edge confined properties and topological controlled refraction disobeying Snell's law.

Kinetic theory of fermions in curved spacetime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fidler, Christian; Pitrou, Cyril, E-mail: christian.fidler@uclouvain.be, E-mail: pitrou@iap.fr

We build a statistical description of fermions, taking into account the spin degree of freedom in addition to the momentum of particles, and we detail its use in the context of the kinetic theory of gases of fermions particles. We show that the one-particle distribution function needed to write a Liouville equation is a spinor valued operator. The degrees of freedom of this function are covariantly described by an intensity function and by a polarisation vector which are parallel transported by free streaming. Collisions are described on the microscopic level and lead to a Boltzmann equation for this operator. Wemore » apply our formalism to the case of weak interactions, which at low energies can be considered as a contact interaction between fermions, allowing us to discuss the structure of the collision term for a few typical weak-interaction mediated reactions. In particular we find for massive particles that a dipolar distribution of velocities in the interacting species is necessary to generate linear polarisation, as opposed to the case of photons for which linear polarisation is generated from the quadrupolar distribution of velocities.« less

Investigation of head group behaviour of lamellar liquid crystals

NASA Astrophysics Data System (ADS)

Delikatny, E. J.; Burnell, E. E.

A mean field equilibrium statistical mechanical model, based on the Samulski inertial frame model, was developed to simulate experimental dipolar and quadrupolar nmr couplings of isotopically substituted potassium palmitates. An isolated four spin system was synthesized (2,2,3,3,-H4-palmitic acid-d27) and in conjunction with data presented in a previous paper on perdeuterated and carbon 13 labelled soaps, the head group behaviour of the molecule was investigated. Two interactions were considered in the modelling procedure: a mean field steric interaction characterized by a constraining cylinder, and a head group interaction characterized by a mass on the end of a rod of variable length. The rod lies along the first C-C bond direction and accounts for the interaction between polar head group and water via its effect on the moment of inertia of the molecule. In potassium palmitate mean field steric repulsive forces remain constant over the entire temperature range studied. In contrast, electrostatic interactions between polar head group and water, approximately constant at higher temperatures, increase dramatically as the phase transition is approached. This evidence supports a previously proposed model of lipidwater interaction.

Order in dense hydrogen at low temperatures

PubMed Central

Edwards, B.; Ashcroft, N. W.

2004-01-01

By increase in density, impelled by pressure, the electronic energy bands in dense hydrogen attain significant widths. Nevertheless, arguments can be advanced suggesting that a physically consistent description of the general consequences of this electronic structure can still be constructed from interacting but state-dependent multipoles. These reflect, in fact self-consistently, a disorder-induced localization of electron states partially manifesting the effects of proton dynamics; they retain very considerable spatial inhomogeneity (as they certainly do in the molecular limit). This description, which is valid provided that an overall energy gap has not closed, leads at a mean-field level to the expected quadrupolar coupling, but also for certain structures to the eventual emergence of dipolar terms and their coupling when a state of broken charge symmetry is developed. A simple Hamiltonian incorporating these basic features then leads to a high-density, low-temperature phase diagram that appears to be in substantial agreement with experiment. In particular, it accounts for the fact that whereas the phase I–II phase boundary has a significant isotope dependence, the phase II–III boundary has very little. PMID:15028839

79/81Br nuclear quadrupole resonance spectroscopic characterization of halogen bonds in supramolecular assemblies† †Electronic supplementary information (ESI) available: 13C SSNMR spectra, powder X-ray diffractograms. See DOI: 10.1039/c8sc01094c

PubMed Central

Cerreia Vioglio, P.; Szell, P. M. J.; Chierotti, M. R.; Gobetto, R.

2018-01-01

Despite the applicability of solid-state NMR to study the halogen bond, the direct NMR detection of 79/81Br covalently bonded to carbon remains impractical due to extremely large spectral widths, even at ultra-high magnetic fields. In contrast, nuclear quadrupole resonance (NQR) offers comparatively sharp resonances. Here, we demonstrate the abilities of 79/81Br NQR to characterize the electronic changes in the C–Br···N halogen bonding motifs found in supramolecular assemblies constructed from 1,4-dibromotetrafluorobenzene and nitrogen-containing heterocycles. An increase in the bromine quadrupolar coupling constant is observed, which correlates linearly with the halogen bond distance (dBr···N). Notably, 79/81Br NQR is able to distinguish between two symmetry-independent halogen bonds in the same crystal structure. This approach offers a rapid and reliable indication for the occurrence of a halogen bond, with experimental times limited only by the observation of 79/81Br NQR resonances. PMID:29899948

Mechanisms of resonant low frequency Raman scattering from metallic nanoparticle Lamb modes

NASA Astrophysics Data System (ADS)

Girard, A.; Lermé, J.; Gehan, H.; Margueritat, J.; Mermet, A.

2017-05-01

The low frequency Raman scattering from gold nanoparticle bimodal assemblies with controlled size distributions has been studied. Special care has been paid to determining the size dependence of the Raman intensity corresponding to the quadrupolar Lamb mode. Existing models based on a microscopic description of the scattering mechanism in small particles (bond polarizability, dipole induced dipole models) predict, for any Raman-active Lamb modes, an inelastic intensity scaling as the volume of the nanoparticle. Surprisingly experimental intensity ratios are found to be anomalously much greater than theoretical ones, calling into question this scaling law. To explain these discrepancies, a simple mechanism of Raman scattering, based on the density fluctuations in the nanoparticles induced by the Lamb modes, is introduced. This modeling, in which the nanoparticle is described as an elastic isotropic continuous medium—as in Lamb theory, successfully explains the major features exhibited by low frequency Raman modes. Moreover this model provides a unified picture for any material, suitable for handling both small and large size ranges, as well as non-resonant and resonant excitation conditions in the case of metallic species.

Measurement of sample temperatures under magic-angle spinning from the chemical shift and spin-lattice relaxation rate of 79Br in KBr powder

PubMed Central

Thurber, Kent R.; Tycko, Robert

2009-01-01

Accurate determination of sample temperatures in solid state nuclear magnetic resonance (NMR) with magic-angle spinning (MAS) can be problematic, particularly because frictional heating and heating by radio-frequency irradiation can make the internal sample temperature significantly different from the temperature outside the MAS rotor. This paper demonstrates the use of 79Br chemical shifts and spin-lattice relaxation rates in KBr powder as temperature-dependent parameters for the determination of internal sample temperatures. Advantages of this method include high signal-to-noise, proximity of the 79Br NMR frequency to that of 13C, applicability from 20 K to 320 K or higher, and simultaneity with adjustment of the MAS axis direction. We show that spin-lattice relaxation in KBr is driven by a quadrupolar mechanism. We demonstrate a simple approach to including KBr powder in hydrated samples, such as biological membrane samples, hydrated amyloid fibrils, and hydrated microcrystalline proteins, that allows direct assessment of the effects of frictional and radio-frequency heating under experimentally relevant conditions. PMID:18930418

Measurement of sample temperatures under magic-angle spinning from the chemical shift and spin-lattice relaxation rate of 79Br in KBr powder.

PubMed

Thurber, Kent R; Tycko, Robert

2009-01-01

Accurate determination of sample temperatures in solid state nuclear magnetic resonance (NMR) with magic-angle spinning (MAS) can be problematic, particularly because frictional heating and heating by radio-frequency irradiation can make the internal sample temperature significantly different from the temperature outside the MAS rotor. This paper demonstrates the use of (79)Br chemical shifts and spin-lattice relaxation rates in KBr powder as temperature-dependent parameters for the determination of internal sample temperatures. Advantages of this method include high signal-to-noise, proximity of the (79)Br NMR frequency to that of (13)C, applicability from 20 K to 320 K or higher, and simultaneity with adjustment of the MAS axis direction. We show that spin-lattice relaxation in KBr is driven by a quadrupolar mechanism. We demonstrate a simple approach to including KBr powder in hydrated samples, such as biological membrane samples, hydrated amyloid fibrils, and hydrated microcrystalline proteins, that allows direct assessment of the effects of frictional and radio-frequency heating under experimentally relevant conditions.

High-field 95 Mo and 183 W static and MAS NMR study of polyoxometalates.

PubMed

Haouas, Mohamed; Trébosc, Julien; Roch-Marchal, Catherine; Cadot, Emmanuel; Taulelle, Francis; Martineau-Corcos, Charlotte

2017-10-01

The potential of high-field NMR to measure solid-state 95 Mo and 183 W NMR in polyoxometalates (POMs) is explored using some archetypical structures like Lindqvist, Keggin and Dawson as model compounds that are well characterized in solution. NMR spectra in static and under magic angle spinning (MAS) were obtained, and their analysis allowed extraction of the NMR parameters, including chemical shift anisotropy and quadrupolar coupling parameters. Despite the inherent difficulties of measurement in solid state of these low-gamma NMR nuclei, due mainly to the low spectral resolution and poor signal-to-noise ratio, the observed global trends compare well with the solution-state NMR data. This would open an avenue for application of solid-state NMR to POMs, especially when liquid-state NMR is not possible, e.g., for poorly soluble or unstable compounds in solution, and for giant molecules with slow tumbling motion. This is the case of Keplerate where we provide here the first NMR characterization of this class of POMs in the solid state. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Plio-Pleistocene paleomagnetic secular variation and time-averaged field: Ruiz-Tolima volcanic chain, Colombia

NASA Astrophysics Data System (ADS)

Sánchez-Duque, A.; Mejia, V.; Opdyke, N. D.; Huang, K.; Rosales-Rivera, A.

2016-02-01

Paleomagnetic results obtained from 47 Plio-Pleistocene volcanic flows from the Ruiz-Tolima Volcanic Chain (Colombia) are presented. The mean direction of magnetization among these flows, which comprise normal (n = 43) and reversed (n = 4) polarities, is Dec = 1.8°, Inc = 3.2°, α95 = 5.0°, and κ = 18.4. This direction of magnetization coincides with GAD plus a small persistent axial quadrupolar component (around 5%) at the site-average latitude (4.93°). This agreement is robust after applying several selection criteria (α95 < 10º α95 < 5.5º polarities: normal, reversed, and tentatively transitional). The data are in agreement with Model G proposed by McElhinny and McFadden (1997) and the fit is improved when sites tentatively identified as transitional (two that otherwise have normal polarity) are excluded from the calculations. Compliance observed with the above mentioned time-averaged field and paleosecular variation models, is also observed for many recent similar studies from low latitudes, with the exception of results from Galapagos Islands that coincide with GAD and tend to be near sided.

Nanofocusing of structured light for quadrupolar light-matter interactions.

PubMed

Sakai, Kyosuke; Yamamoto, Takeaki; Sasaki, Keiji

2018-05-17

The spatial structure of an electromagnetic field can determine the characteristics of light-matter interactions. A strong gradient of light in the near field can excite dipole-forbidden atomic transitions, e.g., electric quadrupole transitions, which are rarely observed under plane-wave far-field illumination. Structured light with a higher-order orbital angular momentum state may also modulate the selection rules in which an atom can absorb two quanta of angular momentum: one from the spin and another from the spatial structure of the beam. Here, we numerically demonstrate a strong focusing of structured light with a higher-order orbital angular momentum state in the near field. A quadrupole field was confined within a gap region of several tens of nanometres in a plasmonic tetramer structure. A plasmonic crystal surrounding the tetramer structure provides a robust antenna effect, where the incident structured light can be strongly coupled to the quadrupole field in the gap region with a larger alignment tolerance. The proposed system is expected to provide a platform for light-matter interactions with strong multipolar effects.

Water dynamics on ice and hydrate lattices studied by second-order central-line stimulated-echo oxygen-17 nuclear magnetic resonance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adjei-Acheamfour, Mischa; Tilly, Julius F.; Beerwerth, Joachim

Oxygen-17 stimulated-echo spectroscopy is a novel nuclear magnetic resonance (NMR) technique that allows one to investigate the time scale and geometry of ultraslow molecular motions in materials containing oxygen. The method is based on detecting orientationally encoded frequency changes within oxygen’s central-transition NMR line that are caused by second-order quadrupolar interactions. In addition to the latter, the present theoretical analysis of various two-pulse echo and stimulated-echo pulse sequences takes also heteronuclear dipolar interactions into account. As an experimental example, the ultraslow water motion in polycrystals of tetrahydrofuran clathrate hydrate is studied via two-time oxygen-17 stimulated-echo correlation functions. The resulting correlationmore » times and those of hexagonal ice are similar to those from previous deuteron NMR measurements. Calculations of the echo functions’ final-state correlations for various motional models are compared with the experimental data of the clathrate hydrate. It is found that a six-site model including the oxygen-proton dipolar interaction describes the present results.« less

Surface enhanced Raman optical activity of molecules on orientationally averaged substrates: theory of electromagnetic effects.

PubMed

Janesko, Benjamin G; Scuseria, Gustavo E

2006-09-28

We present a model for electromagnetic enhancements in surface enhanced Raman optical activity (SEROA) spectroscopy. The model extends previous treatments of SEROA to substrates, such as metal nanoparticles in solution, that are orientationally averaged with respect to the laboratory frame. Our theoretical treatment combines analytical expressions for unenhanced Raman optical activity with molecular polarizability tensors that are dressed by the substrate's electromagnetic enhancements. We evaluate enhancements from model substrates to determine preliminary scaling laws and selection rules for SEROA. We find that dipolar substrates enhance Raman optical activity (ROA) scattering less than Raman scattering. Evanescent gradient contributions to orientationally averaged ROA scale to first or higher orders in the gradient of the incident plane-wave field. These evanescent gradient contributions may be large for substrates with quadrupolar responses to the plane-wave field gradient. Some substrates may also show a ROA contribution that depends only on the molecular electric dipole-electric dipole polarizability. These conclusions are illustrated via numerical calculations of surface enhanced Raman and ROA spectra from (R)-(-)-bromochlorofluoromethane on various model substrates.

Optical interactions in a plasmonic particle coupled to a metallic film

NASA Astrophysics Data System (ADS)

Lévêque, Gäetan; Martin, Olivier J. F.

2006-10-01

The interplay between localized surface plasmon (LSP) and surface plasmon-polariton (SPP) is studied in detail in a system composed of a three-dimensional gold particle located at a short distance from a gold thin film. Important frequency shifts of the LSP associated with the particle are observed for spacing distances between 0 and 50 nm. Beyond this distance the LSP and SPP resonances overlap, although some cavity effects between the particle and the film can still be observed. In particular, when the spacing increases the field in the cavity decreases more slowly than one would expect from a simple image dipole interpretation. For short separations the coupling between the particle and the film can produce a dramatic enhancement of the electromagnetic field in the space between them, where the electric field intensity can reach 5000 times that of the illumination field. Several movies show the spectral and time evolutions of the field distribution in the system both in and out of resonance. The character of the different modes excited in the system is studied. They include dipolar and quadrupolar modes, the latter exhibiting essentially a magnetic response.

Microsolvation of the pyrrole cation (Py+) with nonpolar and polar ligands: infrared spectra of Py+-Ln with L = Ar, N2, and H2O (n ≤ 3).

PubMed

Schütz, Markus; Matsumoto, Yoshiteru; Bouchet, Aude; Öztürk, Murat; Dopfer, Otto

2017-02-01

The solvation of aromatic (bio-)molecular building blocks has a strong impact on the intermolecular interactions and function of supramolecular assemblies, proteins, and DNA. Herein we characterize the initial microsolvation process of the heterocyclic aromatic pyrrole cation (Py + ) in its 2 A 2 ground electronic state with nonpolar, quadrupolar, and dipolar ligands (L = Ar, N 2 , and H 2 O) by infrared photodissociation (IRPD) spectroscopy of cold mass-selected Py + -L n (n ≤ 3) clusters in a molecular beam and dispersion-corrected density functional theory calculations at the B3LYP-D3/aug-cc-pVTZ level. Size- and isomer-specific shifts in the NH stretch frequency (Δν NH ) unravel the competition between various ligand binding sites, the strength of the respective intermolecular bonds, and the cluster growth. In Py + -Ar, linear H-bonding of Ar to the acidic NH group (NHAr) is competitive with π-stacking to the aromatic ring, and both Py + -Ar(H) and Py + -Ar(π) are observed. For L = N 2 and H 2 O, the linear NHL H-bond is much more stable than any other binding site and the only observed binding motif. For the Py + -Ar 2 and Py + -(N 2 ) 2 trimers, the H/π isomer with one H-bonded and one π-bonded ligand strongly competes with a 2H isomer with two bifurcated nonlinear NHL bonds. The latter are equivalent for Ar but nonequivalent for N 2 . Py + -H 2 O exhibits a strong and linear NHO H-bond with charge-dipole configuration and C 2v symmetry. IRPD spectra of cold Py + -H 2 O-L clusters with L = Ar and N 2 reveal that Ar prefers π-stacking to the Py + ring, while N 2 forms an OHN 2 H-bond to the H 2 O ligand. The Δν NH frequency shifts in Py + -L n are correlated with the strength of the NHL H-bond and the proton affinity (PA) of L, and a monotonic correlation between Δν NH of the Py + -L(H) dimers and PA is established. Comparison with neutral Py-L dimers reveals the strong impact of the positive charge on the acidity of the NH group, the strength of the NHL H-bond, and the preferred ligand binding motif.

High-energy surface and volume plasmons in nanopatterned sub-10 nm aluminum nanostructures

DOE PAGES

Hobbs, Richard G.; Manfrinato, Vitor R.; Yang, Yujia; ...

2016-06-13

In this paper, we use electron energy-loss spectroscopy to map the complete plasmonic spectrum of aluminum nanodisks with diameters ranging from 3 to 120 nm fabricated by high-resolution electron-beam lithography. Our nanopatterning approach allows us to produce localized surface plasmon resonances across a wide spectral range spanning 2–8 eV. Electromagnetic simulations using the finite element method support the existence of dipolar, quadrupolar, and hexapolar surface plasmon modes as well as centrosymmetric breathing modes depending on the location of the electron-beam excitation. In addition, we have developed an approach using nanolithography that is capable of meV control over the energy andmore » attosecond control over the lifetime of volume plasmons in these nanodisks. The precise measurement of volume plasmon lifetime may also provide an opportunity to probe and control the DC electrical conductivity of highly confined metallic nanostructures. Lastly, we show the strong influence of the nanodisk boundary in determining both the energy and lifetime of surface plasmons and volume plasmons locally across individual aluminum nanodisks, and we have compared these observations to similar effects produced by scaling the nanodisk diameter.« less

Fluorine Scan of Inhibitors of the Cysteine Protease Human Cathepsin L: Dipolar and Quadrupolar Effects in the π-Stacking of Fluorinated Phenyl Rings on Peptide Amide Bonds.

PubMed

Giroud, Maude; Harder, Michael; Kuhn, Bernd; Haap, Wolfgang; Trapp, Nils; Schweizer, W Bernd; Schirmeister, Tanja; Diederich, François

2016-05-19

The π-stacking of fluorinated benzene rings on protein backbone amide groups was investigated, using a dual approach comprising enzyme-ligand binding studies complemented by high-level quantum chemical calculations. In the experimental study, the phenyl substituent of triazine nitrile inhibitors of human cathepsin L (hCatL), which stacks onto the peptide amide bond Gly67-Gly68 at the entrance of the S3 pocket, was systematically fluorinated, and differences in inhibitory potency were measured in a fluorimetric assay. Binding affinity is influenced by lipophilicity (clog P), the dipole and quadrupole moments of the fluorinated rings, but also by additional interactions of the introduced fluorine atoms with the local environment of the pocket. Generally, the higher the degree of fluorination, the better the binding affinities. Gas phase calculations strongly support the contributions of the molecular quadrupole moments of the fluorinated phenyl rings to the π-stacking interaction with the peptide bond. These findings provide useful guidelines for enhancing π-stacking on protein amide fragments. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Resilience of Kepler Multi-systems to Stellar Obliquity

NASA Astrophysics Data System (ADS)

Spalding, Christopher; Marx, Noah W.; Batygin, Konstantin

2018-04-01

The Kepler mission and its successor K2 have brought forth a cascade of transiting planets. Many of these planetary systems exhibit multiple transiting members. However, a large fraction possesses only a single transiting planet. This high abundance of singles, dubbed the "Kepler Dichotomy," has been hypothesized to arise from significant mutual inclinations between orbits in multi-planet systems. Alternatively, the single-transiting population truly possesses no other planets in the system, but the true origin of the overabundance of single systems remains unresolved. In this work, we propose that planetary systems typically form with a coplanar, multiple-planetary architecture, but that quadrupolar gravitational perturbations from their rapidly-rotating host star subsequently disrupt this primordial coplanarity. We demonstrate that, given sufficient stellar obliquity, even systems beginning with 2 planetary constituents are susceptible to dynamical instability soon after planet formation, as a result of the stellar quadrupole moment. This mechanism stands as a widespread, yet poorly explored pathway toward planetary system instability. Moreover, by requiring that observed multi-systems remain coplanar on Gyr timescales, we are able to place upper limits on the stellar obliquity in systems such as K2-38 (obliquity < 20 degrees), where other methods of measuring spin-orbit misalignment are not currently available.

High field nuclear magnetic resonance in transition metal substituted BaFe{sub 2}As{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garitezi, T. M., E-mail: thalesmg@ifi.unicamp.br; Lesseux, G. G.; Rosa, P. F. S.

2014-05-07

We report high field {sup 75}As nuclear magnetic resonance (NMR) measurements on Co and Cu substituted BaFe{sub 2}As{sub 2} single crystals displaying same structural/magnetic transition T{sub 0}≃128  K. From our anisotropy studies in the paramagnetic state, we strikingly found virtually identical quadrupolar splitting and consequently the quadrupole frequency ν{sub Q}≃2.57(1)  MHz for both compounds, despite the claim that each Cu delivers 2 extra 3d electrons in BaFe{sub 2}As{sub 2} compared to Co substitution. These results allow us to conclude that a subtle change in the crystallographic structure, particularly in the Fe–As tetrahedra, must be the most probable tuning parameter to determine T{submore » 0} in this class of superconductors rather than electronic doping. Furthermore, our NMR data around T{sub 0} suggest coexistence of tetragonal/paramagnetic and orthorhombic/antiferromagnetic phases between the structural and the spin density wave magnetic phase transitions, similarly to what was reported for K-doped BaFe{sub 2}As{sub 2} [Urbano et al., Phys. Rev. Lett. 105, 107001 (2010)].« less

Transparent lattice characterization with gated turn-by-turn data of diagnostic bunch train

NASA Astrophysics Data System (ADS)

Li, Yongjun; Cheng, Weixing; Ha, Kiman; Rainer, Robert

2017-11-01

Methods of characterization of a storage ring's lattice have traditionally been intrusive to routine operations. More importantly, the lattice seen by particles can drift with the beam current due to collective effects. To circumvent this, we have developed a novel approach for dynamically characterizing a storage ring's lattice that is transparent to operations. Our approach adopts a dedicated filling pattern which has a short, separate diagnostic bunch train (DBT). Through the use of a bunch-by-bunch feedback system, the DBT can be selectively excited on demand. Gated functionality of a beam position monitor system is capable of collecting turn-by-turn data of the DBT, from which the lattice can then be characterized after excitation. As the DBT comprises only about one percent of the total operational bunches, the effects of its excitation are negligible to users. This approach allows us to localize the distributed quadrupolar wakefields generated in the storage ring vacuum chamber during beam accumulation. While effectively transparent to operations, our approach enables us to dynamically control the beta beat and phase beat, and unobtrusively optimize performance of the National Synchrotron Light Source-II accelerator during routine operations.

Direct Nanoscale Characterization of Submolecular Mobility in Complex Organic Non-linear Optical Systems

NASA Astrophysics Data System (ADS)

Knorr, Daniel; Gray, Tomoko; Kim, Tae-Dong; Luo, Jingdong; Jen, Alex; Overney, Rene

2008-03-01

For organic non-linear optical (NLO) materials composed of intricate molecular building blocks, the challenge is to deduce meaningful molecular scale mobility information to understand complex relaxation and phase behavior. This is crucial, as the process of achieving a robust acentric alignment strongly depends on the availability of inter- and intra-molecular mobilities outside the temperature range of the device operation window. Here, we introduce a nanoscale methodology based on scanning probe microscopy that provides direct insight into structural relaxations and shows great potential to direct material design of sophisticated macromolecules. It also offers a means by which mesoscale dynamics and cooperativity involved in relaxation processes can be quantified in terms of dynamic entropy and enthalpy. This study demonstrates this methodology to describe the mesocale dynamics of two systems (1) organic networking dendronized NLO molecular glasses that self-assemble into physically linked polymers due to quadrupolar phenyl-perfluorophenyl interactions and (2) dendronized side-chain electro-optic (EO) polymers. For the self assembling glasses, the degree of intermolecular cooperativity can be deduced using this methodology, while for the dendronized side-chain polymers, specific side chain mobilities are exploited to improve EO properties.

Highly Sensitive Refractive Index Sensors with Plasmonic Nanoantennas-Utilization of Optimal Spectral Detuning of Fano Resonances.

PubMed

Mesch, Martin; Weiss, Thomas; Schäferling, Martin; Hentschel, Mario; Hegde, Ravi S; Giessen, Harald

2018-05-25

We analyze and optimize the performance of coupled plasmonic nanoantennas for refractive index sensing. The investigated structure supports a sub- and super-radiant mode that originates from the weak coupling of a dipolar and quadrupolar mode, resulting in a Fano-type spectral line shape. In our study, we vary the near-field coupling of the two modes and particularly examine the influence of the spectral detuning between them on the sensing performance. Surprisingly, the case of matched resonance frequencies does not provide the best sensor. Instead, we find that the right amount of coupling strength and spectral detuning allows for achieving the ideal combination of narrow line width and sufficient excitation strength of the subradiant mode, and therefore results in optimized sensor performance. Our findings are confirmed by experimental results and first-order perturbation theory. The latter is based on the resonant state expansion and provides direct access to resonance frequency shifts and line width changes as well as the excitation strength of the modes. Based on these parameters, we define a figure of merit that can be easily calculated for different sensing geometries and agrees well with the numerical and experimental results.

Organic Semiconductors based on Dyes and Color Pigments.

PubMed

Gsänger, Marcel; Bialas, David; Huang, Lizhen; Stolte, Matthias; Würthner, Frank

2016-05-01

Organic dyes and pigments constitute a large class of industrial products. The utilization of these compounds in the field of organic electronics is reviewed with particular emphasis on organic field-effect transistors. It is shown that for most major classes of industrial dyes and pigments, i.e., phthalocyanines, perylene and naphthalene diimides, diketopyrrolopyrroles, indigos and isoindigos, squaraines, and merocyanines, charge-carrier mobilities exceeding 1 cm(2) V(-1) s(-1) have been achieved. The most widely investigated molecules due to their n-channel operation are perylene and naphthalene diimides, for which even values close to 10 cm(2) V(-1) s(-1) have been demonstrated. The fact that all of these π-conjugated colorants contain polar substituents leading to strongly quadrupolar or even dipolar molecules suggests that indeed a much larger structural space shows promise for the design of organic semiconductor molecules than was considered in this field traditionally. In particular, because many of these dye and pigment chromophores demonstrate excellent thermal and (photo-)chemical stability in their original applications in dyeing and printing, and are accessible by straightforward synthetic protocols, they bear a particularly high potential for commercial applications in the area of organic electronics. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coherent charge and spin density waves in underdoped HgBa 2CuO 4+δ

DOE PAGES

Lee, Jeongseop A.; Xin, Yizhou; Halperin, W. P.; ...

2017-03-16

Charge order in cuprate superconductors appears to be a universal characteristic, often associated with pseudogap behavior in the normal state. The central question is whether such charge ordering or the pseudogap are required for the existence of high temperature superconductivity and embody its mechanism. An important but phenomenological approach to this question is to examine whether these phenomena extend over various members of the cuprate family. Recent nuclear magnetic resonance (NMR) measurements on oxygen chain-ordered single crystals of YBa 2Cu 3O 6+y (Y123) have demonstrated temperature and magnetic field induced charge ordering that was confirmed in x-ray experiments. In themore » present work on high-quality single crystals of the tetragonal compound, HgBa 2CuO 4+δ, we use 17O NMR to investigate the interplay between charge and spin order deduced from the full quadrupolar-split NMR spectrum over a wide range of temperature and magnetic field. We have found evidence for a coherent modulation of charge and spin order in this compound. Furthermore, neither temperature nor magnetic field induced ordering was observed and we infer that this aspect of high temperature superconductivity is not universal.« less

Geometry-dependent distributed polarizability models for the water molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loboda, Oleksandr; Ingrosso, Francesca; Ruiz-López, Manuel F.

2016-01-21

Geometry-dependent distributed polarizability models have been constructed by fits to ab initio calculations at the coupled cluster level of theory with up to noniterative triple excitations in an augmented triple-zeta quality basis set for the water molecule in the field of a point charge. The investigated models include (i) charge-flow polarizabilities between chemically bonded atoms, (ii) isotropic or anisotropic dipolar polarizabilities on oxygen atom or on all atoms, and (iii) combinations of models (i) and (ii). For each model, the polarizability parameters have been optimized to reproduce the induction energy of a water molecule polarized by a point charge successivelymore » occupying a grid of points surrounding the molecule. The quality of the models is ascertained by examining their ability to reproduce these induction energies as well as the molecular dipolar and quadrupolar polarizabilities. The geometry dependence of the distributed polarizability models has been explored by changing bond lengths and HOH angle to generate 125 molecular structures (reduced to 75 symmetry-unique ones). For each considered model, the distributed polarizability components have been fitted as a function of the geometry by a Taylor expansion in monomer coordinate displacements up to the sum of powers equal to 4.« less

Magnetic Properties and Magnetic Phase Diagrams of Trigonal DyNi3Ga9

NASA Astrophysics Data System (ADS)

Ninomiya, Hiroki; Matsumoto, Yuji; Nakamura, Shota; Kono, Yohei; Kittaka, Shunichiro; Sakakibara, Toshiro; Inoue, Katsuya; Ohara, Shigeo

2017-12-01

We report the crystal structure, magnetic properties, and magnetic phase diagrams of single crystalline DyNi3Ga9 studied using X-ray diffraction, electrical resistivity, specific heat, and magnetization measurements. DyNi3Ga9 crystallizes in the chiral structure with space group R32. The dysprosium ions, which are responsible for the magnetism in this compound, form a two-dimensional honeycomb structure on a (0001) plane. We show that DyNi3Ga9 exhibits successive phase transitions at TN = 10 K and T'N = 9 K. The former suggests quadrupolar ordering, and the latter is attributed to the antiferromagnetic order. It is considered that DyNi3Ga9 forms the canted-antiferromagnetic structure below T'N owing to a small hysteresis loop of the low-field magnetization curve. We observe the strong easy-plane anisotropy, and the multiple-metamagnetic transitions with magnetization-plateaus under the field applied along the honeycomb plane. For Hallel [2\\bar{1}\\bar{1}0], the plateau-region arises every 1/6 for saturation magnetization. The magnetic phase diagrams of DyNi3Ga9 are determined for the fields along principal-crystal axes.

Ab initio crystal structure prediction of magnesium (poly)sulfides and calculation of their NMR parameters.

PubMed

Mali, Gregor

2017-03-01

Ab initio prediction of sensible crystal structures can be regarded as a crucial task in the quickly-developing methodology of NMR crystallography. In this contribution, an evolutionary algorithm was used for the prediction of magnesium (poly)sulfide crystal structures with various compositions. The employed approach successfully identified all three experimentally detected forms of MgS, i.e. the stable rocksalt form and the metastable wurtzite and zincblende forms. Among magnesium polysulfides with a higher content of sulfur, the most probable structure with the lowest formation energy was found to be MgS 2 , exhibiting a modified rocksalt structure, in which S 2- anions were replaced by S 2 2- dianions. Magnesium polysulfides with even larger fractions of sulfur were not predicted to be stable. For the lowest-energy structures, 25 Mg quadrupolar coupling constants and chemical shift parameters were calculated using the density functional theory approach. The calculated NMR parameters could be well rationalized by the symmetries of the local magnesium environments, by the coordination of magnesium cations and by the nature of the surrounding anions. In the future, these parameters could serve as a reference for the experimentally determined 25 Mg NMR parameters of magnesium sulfide species.

Transparent lattice characterization with gated turn-by-turn data of diagnostic bunch train

DOE PAGES

Li, Yongjun; Cheng, Weixing; Ha, Kiman; ...

2017-11-21

Methods of characterization of a storage ring's lattice have traditionally been intrusive to routine operations. More importantly, the lattice seen by particles can drift with the beam current due to collective effects. To circumvent this, we have developed a novel approach for dynamically characterizing a storage ring's lattice that is transparent to operations. Our approach adopts a dedicated filling pattern which has a short, separate Diagnostic Bunch-Train (DBT). Through the use of a bunch-by-bunch feedback system, the DBT can be selectively excited on-demand. Gated functionality of a beam position monitor system is capable of collecting turn-by-turn data of the DBT,more » from which the lattice can then be characterized after excitation. As the DBT comprises only about one percent of the total operational bunches, the effects of its excitation are negligible to users. Therefore, this approach allows us to localize the distributed quadrupolar wake fields generated in the storage ring vacuum chamber during beam accumulation. While effectively transparent to operations, our approach enables us to dynamically control the beta-beat and phase-beat, and unobtrusively optimize performance of National Synchrotron Light Source-II accelerator during routine operations.« less

OBSERVATIONS OF AN X-SHAPED RIBBON FLARE IN THE SUN AND ITS THREE-DIMENSIONAL MAGNETIC RECONNECTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Y.; Ding, M. D.; Yang, K.

2016-05-20

We report evolution of an atypical X-shaped flare ribbon that provides novel observational evidence of three-dimensional (3D) magnetic reconnection at a separator. The flare occurred on 2014 November 9. High-resolution slit-jaw 1330 Å images from the Interface Region Imaging Spectrograph reveal four chromospheric flare ribbons that converge and form an X-shape. Flare brightening in the upper chromosphere spreads along the ribbons toward the center of the “X” (the X-point), and then spreads outward in a direction more perpendicular to the ribbons. These four ribbons are located in a quadrupolar magnetic field. Reconstruction of magnetic topology in the active region suggestsmore » the presence of a separator connecting to the X-point outlined by the ribbons. The inward motion of flare ribbons in the early stage therefore indicates 3D magnetic reconnection between two sets of non-coplanar loops that approach laterally, and reconnection proceeds downward along a section of vertical current sheet. Coronal loops are also observed by the Atmospheric Imaging Assembly on board the Solar Dynamics Observatory confirming the reconnection morphology illustrated by ribbon evolution.« less

Resonant Tidal Forcing in Close Binaries: Implications for CVs

NASA Astrophysics Data System (ADS)

Ford, K. E. Saavik; McKernan, Barry; Schwab, Elliana

2018-01-01

Resonant tidal forcing occurs when the tidal forcing frequency of a binary matches a quadrupolar oscillation mode of one of the binary members and energy is transferred from the orbit of the binary to the mode. Tidal locking permits ongoing resonant driving of modes even as binary orbital parameters change. At small binary separations during tidal lock, a significant fraction of binary orbital energy can be deposited quickly into a resonant mode and the binary decays faster than via the emission of gravitational radiation alone. Here we discuss some of the implications of resonant tidal forcing for the class of binaries known as Cataclysmic Variable (CV) stars. We show that resonant tidal forcing of the donor’s Roche lobe could explain the observed 2‑3hr period gap in CVs, assuming modest orbital eccentricities are allowed (eb ∼ 0.03), and can be complementary or an alternative to, existing models. Sudden collapse of the companion orbit, yielding a Type Ia supernova is disfavoured, since Hydrogen is not observed in Type Ia supernova spectra. Therefore, resonance must generally be truncated, probably via mass loss from the Roche lobe or orbital perturbation, ultimately producing a short period CV containing an ’overheated’ white dwarf.

Rotational Spectra of Hydrogen Bonded Networks of Amino Alcohols

NASA Astrophysics Data System (ADS)

Zhang, Di; Zwier, Timothy S.

2014-06-01

The rotational spectra of several different amino alcohols including D/L-allo-threoninol, 2-amino-1,3-propanediol and 1,3-diamino-2-propanol over the 6.5-18.5 GHz range have been investigated under jet-cooled conditions using chirped-pulsed Fourier transform microwave spectroscopy. Despite the small size of these molecules, a great variety of conformations have been observed in the molecular expansion. While the NH2 group is typically thought of as a H-bond acceptor, it often acts both as acceptor and donor in forming H-bonded networks. With three adjacent H-bonding substituents (a combination of OH and NH2 groups), many different hydrogen bonding patterns are possible, including H-bonded chains and H-bonded cycles. Since many of these structures differ primarily by the relative orientation of the H-atoms, the analysis of these rotational spectra are challenging. Only through an exhaustive conformational search and the comparison with the experimental rotational constants, nuclear quadrupolar splittings, and line strengths are we able to understand the complex nature of these interactions. The ways in which the presence and number of NH2 groups affects the relative energies, and distorts the structures will be explored.

Dynamics of magnetic particles in cylindrical Halbach array: implications for magnetic cell separation and drug targeting.

PubMed

Babinec, Peter; Krafcík, Andrej; Babincová, Melánia; Rosenecker, Joseph

2010-08-01

Magnetic nanoparticles for therapy and diagnosis are at the leading edge of the rapidly developing field of bionanotechnology. In this study, we have theoretically studied motion of magnetic nano- as well as micro-particles in the field of cylindrical Halbach array of permanent magnets. Magnetic flux density was modeled as magnetostatic problem by finite element method and particle motion was described using system of ordinary differential equations--Newton law. Computations were done for nanoparticles Nanomag-D with radius 65 nm, which are often used in magnetic drug targeting, as well as microparticles DynaBeads-M280 with radius 1.4 microm, which can be used for magnetic separation. Analyzing snapshots of trajectories of hundred magnetite particles of each size in the water as well as in the air, we have found that optimally designed magnetic circuits of permanent magnets in quadrupolar Halbach array have substantially shorter capture time than simple blocks of permanent magnets commonly used in experiments, therefore, such a Halbach array may be useful as a potential source of magnetic field for magnetic separation and targeting of magnetic nanoparticles as well as microparticles for delivery of drugs, genes, and cells in various biomedical applications.

Solid-state (185/187)Re NMR and GIPAW DFT study of perrhenates and Re2(CO)10: chemical shift anisotropy, NMR crystallography, and a metal-metal bond.

PubMed

Widdifield, Cory M; Perras, Frédéric A; Bryce, David L

2015-04-21

Advances in solid-state nuclear magnetic resonance (SSNMR) methods, such as dynamic nuclear polarization (DNP), intricate pulse sequences, and increased applied magnetic fields, allow for the study of systems which even very recently would be impractical. However, SSNMR methods using certain quadrupolar probe nuclei (i.e., I > 1/2), such as (185/187)Re remain far from fully developed due to the exceedingly strong interaction between the quadrupole moment of these nuclei and local electric field gradients (EFGs). We present a detailed high-field (B0 = 21.1 T) experimental SSNMR study on several perrhenates (KReO4, AgReO4, Ca(ReO4)2·2H2O), as well as ReO3 and Re2(CO)10. We propose solid ReO3 as a new rhenium SSNMR chemical shift standard due to its reproducible and sharp (185/187)Re NMR resonances. We show that for KReO4, previously poorly understood high-order quadrupole-induced effects (HOQIE) on the satellite transitions can be used to measure the EFG tensor asymmetry (i.e., ηQ) to nearly an order-of-magnitude greater precision than competing SSNMR and nuclear quadrupole resonance (NQR) approaches. Samples of AgReO4 and Ca(ReO4)2·2H2O enable us to comment on the effects of counter-ions and hydration upon Re(vii) chemical shifts. Calcium-43 and (185/187)Re NMR tensor parameters allow us to conclude that two proposed crystal structures for Ca(ReO4)2·2H2O, which would be considered as distinct, are in fact the same structure. Study of Re2(CO)10 provides insights into the effects of Re-Re bonding on the rhenium NMR tensor parameters and rhenium oxidation state on the Re chemical shift value. As overtone NQR experiments allowed us to precisely measure the (185/187)Re EFG tensor of Re2(CO)10, we were able to measure rhenium chemical shift anisotropy (CSA) for the first time in a powdered sample. Experimental observations are supported by gauge-including projector augmented-wave (GIPAW) density functional theory (DFT) calculations, with NMR tensor calculations also provided for NH4ReO4, NaReO4 and RbReO4. These calculations are able to reproduce many of the experimental trends in rhenium δiso values and EFG tensor magnitudes. Using KReO4 as a prototypical perrhenate-containing system, we establish a correlation between the tetrahedral shear strain parameter (|ψ|) and the nuclear electric quadrupolar coupling constant (CQ), which enables the refinement of the structure of ND4ReO4. Shortcomings in traditional DFT approaches, even when including relativistic effects via the zeroth-order regular approximation (ZORA), for calculating rhenium NMR tensor parameters are identified for Re2(CO)10.

Disassemblability modeling technology of configurable product based on disassembly constraint relation weighted design structure matrix(DSM)

NASA Astrophysics Data System (ADS)

Qiu, Lemiao; Liu, Xiaojian; Zhang, Shuyou; Sun, Liangfeng

2014-05-01

The current research of configurable product disassemblability focuses on disassemblability evaluation and disassembly sequence planning. Little work has been done on quantitative analysis of configurable product disassemblability. The disassemblability modeling technology for configurable product based on disassembly constraint relation weighted design structure matrix (DSM) is proposed. Major factors affecting the disassemblability of configurable product are analyzed, and the disassembling degrees between components in configurable product are obtained by calculating disassembly entropies such as joint type, joint quantity, disassembly path, disassembly accessibility and material compatibility. The disassembly constraint relation weighted DSM of configurable product is constructed and configuration modules are formed by matrix decomposition and tearing operations. The disassembly constraint relation in configuration modules is strong coupling, and the disassembly constraint relation between modules is weak coupling, and the disassemblability configuration model is constructed based on configuration module. Finally, taking a hydraulic forging press as an example, the decomposed weak coupling components are used as configuration modules alone, components with a strong coupling are aggregated into configuration modules, and the disassembly sequence of components inside configuration modules is optimized by tearing operation. A disassemblability configuration model of the hydraulic forging press is constructed. By researching the disassemblability modeling technology of product configuration design based on disassembly constraint relation weighted DSM, the disassembly property in maintenance, recycling and reuse of configurable product are optimized.

Configurational Molecular Glue: One Optically Active Polymer Attracts Two Oppositely Configured Optically Active Polymers.

PubMed

Tsuji, Hideto; Noda, Soma; Kimura, Takayuki; Sobue, Tadashi; Arakawa, Yuki

2017-03-24

D-configured poly(D-lactic acid) (D-PLA) and poly(D-2-hydroxy-3-methylbutanoic acid) (D-P2H3MB) crystallized separately into their homo-crystallites when crystallized by precipitation or solvent evaporation, whereas incorporation of L-configured poly(L-2-hydroxybutanoic acid) (L-P2HB) in D-configured D-PLA and D-P2H3MB induced co-crystallization or ternary stereocomplex formation between D-configured D-PLA and D-P2H3MB and L-configured L-P2HB. However, incorporation of D-configured poly(D-2-hydroxybutanoic acid) (D-P2HB) in D-configured D-PLA and D-P2H3MB did not cause co-crystallization between D-configured D-PLA and D-P2H3MB and D-configured D-P2HB but separate crystallization of each polymer occurred. These findings strongly suggest that an optically active polymer (L-configured or D-configured polymer) like unsubstituted or substituted optically active poly(lactic acid)s can act as "a configurational or helical molecular glue" for two oppositely configured optically active polymers (two D-configured polymers or two L-configured polymers) to allow their co-crystallization. The increased degree of freedom in polymer combination is expected to assist to pave the way for designing polymeric composites having a wide variety of physical properties, biodegradation rate and behavior in the case of biodegradable polymers.

Configurational Molecular Glue: One Optically Active Polymer Attracts Two Oppositely Configured Optically Active Polymers

NASA Astrophysics Data System (ADS)

Tsuji, Hideto; Noda, Soma; Kimura, Takayuki; Sobue, Tadashi; Arakawa, Yuki

2017-03-01

D-configured poly(D-lactic acid) (D-PLA) and poly(D-2-hydroxy-3-methylbutanoic acid) (D-P2H3MB) crystallized separately into their homo-crystallites when crystallized by precipitation or solvent evaporation, whereas incorporation of L-configured poly(L-2-hydroxybutanoic acid) (L-P2HB) in D-configured D-PLA and D-P2H3MB induced co-crystallization or ternary stereocomplex formation between D-configured D-PLA and D-P2H3MB and L-configured L-P2HB. However, incorporation of D-configured poly(D-2-hydroxybutanoic acid) (D-P2HB) in D-configured D-PLA and D-P2H3MB did not cause co-crystallization between D-configured D-PLA and D-P2H3MB and D-configured D-P2HB but separate crystallization of each polymer occurred. These findings strongly suggest that an optically active polymer (L-configured or D-configured polymer) like unsubstituted or substituted optically active poly(lactic acid)s can act as “a configurational or helical molecular glue” for two oppositely configured optically active polymers (two D-configured polymers or two L-configured polymers) to allow their co-crystallization. The increased degree of freedom in polymer combination is expected to assist to pave the way for designing polymeric composites having a wide variety of physical properties, biodegradation rate and behavior in the case of biodegradable polymers.

Dust Tolerant Connectors

NASA Technical Reports Server (NTRS)

Mueller, Robert P. (Inventor); Lewis, Mark E. (Inventor); Bastin, Gary L. (Inventor); Branch, Matthew C. (Inventor); Carlson, Jeffrey W. (Inventor); Dokos, Adam G. (Inventor); Murtland, Kevin A. (Inventor); Nugent, Matthew W. (Inventor); Tamasy, Gabor J. (Inventor); Townsend, III, Ivan I. (Inventor)

2016-01-01

Methods and systems may provide for debris exclusion and removal apparatuses for connectors which have inverting end caps with a multi-axis lever configuration, inverting end caps with enlarged handle and/or side rail configurations, rotating end cap configurations, poppet valve configurations, O-ring configurations, filament barrier configurations, retractable cover configurations, clamshell end cap configurations, or any combination thereof. Apparatuses may also provide for an intelligent electrical connector system capable of detecting damage to or faults within a plurality of conductors and then rerouting the energy through a non-damaged spare conductor.

Acoustic Mode Hybridization in a Single Dimer of Gold Nanoparticles.

PubMed

Girard, Adrien; Gehan, Hélène; Mermet, Alain; Bonnet, Christophe; Lermé, Jean; Berthelot, Alice; Cottancin, Emmanuel; Crut, Aurélien; Margueritat, Jérémie

2018-06-13

The acoustic vibrations of single monomers and dimers of gold nanoparticles were investigated by measuring for the first time their ultralow-frequency micro-Raman scattering. This experiment provides access not only to the frequency of the detected vibrational modes but also to their damping rate, which is obscured by inhomogeneous effects in measurements on ensembles of nano-objects. This allows a detailed analysis of the mechanical coupling occurring between two close nanoparticles (mediated by the polymer surrounding them) in the dimer case. Such coupling induces the hybridization of the vibrational modes of each nanoparticle, leading to the appearance in the Raman spectra of two ultralow-frequency modes corresponding to the out-of-phase longitudinal and transverse (with respect to the dimer axis) quasi-translations of the nanoparticles. Additionally, it is also shown to shift the frequency of the quadrupolar modes of the nanoparticles. Experimental results are interpreted using finite-element simulations, which enable the unambiguous identification of the detected modes and despite the simplifications made lead to a reasonable reproduction of their measured frequencies and quality factors. The demonstrated feasibility of low-frequency Raman scattering experiments on single nano-objects opens up new possibilities to improve the understanding of nanoscale vibrations with this technique being complementary with single nano-object time-resolved spectroscopy as it gives access to different vibrational modes.

Water permeability of spider dragline silk.

PubMed

Li, Xiang; Eles, Philip T; Michal, Carl A

2009-05-11

The water permeability of spider dragline silk was studied by measuring changes in amide deuteration of D(2)O-soaked silk with solid-state NMR. (13)C-D rotational-echo double-resonance (REDOR) NMR experiments showed that chemical exchange of amide hydrogen occurs in a large fraction of amino acids, including over 50% of alanine residues, which are known to exist predominantly in beta-sheet crystallites. This suggests that a substantial fraction of the crystalline regions are permeable to water, at least on the time scale of hours, implying that they are more dynamic, and therefore susceptible to chemical exchange with water, than previously thought. Wideline deuterium NMR spectra of dried D(2)O-soaked silk showed a combination of quadrupolar broadened and motionally averaged isotropic components whose intensities change on the time scale of hours. These results are interpreted in terms of chemical exchange between deuterium on the protein backbone, residual water within the silk, and water vapor in the ambient atmosphere. A simple compartmental model fits the results well and yields rate constants for the exchange processes. The model requires the inclusion of a compartment that does not undergo exchange. This compartment, likely related to the crystalline region, is interesting because it is accessible to water in wet silk, but impervious to any remaining free water when the silk is dried.

Experimental Observation of Bohr's Nonlinear Fluidic Surface Oscillation.

PubMed

Moon, Songky; Shin, Younghoon; Kwak, Hojeong; Yang, Juhee; Lee, Sang-Bum; Kim, Soyun; An, Kyungwon

2016-01-25

Niels Bohr in the early stage of his career developed a nonlinear theory of fluidic surface oscillation in order to study surface tension of liquids. His theory includes the nonlinear interaction between multipolar surface oscillation modes, surpassing the linear theory of Rayleigh and Lamb. It predicts a specific normalized magnitude of 0.416η(2) for an octapolar component, nonlinearly induced by a quadrupolar one with a magnitude of η much less than unity. No experimental confirmation on this prediction has been reported. Nonetheless, accurate determination of multipolar components is important as in optical fiber spinning, film blowing and recently in optofluidic microcavities for ray and wave chaos studies and photonics applications. Here, we report experimental verification of his theory. By using optical forward diffraction, we measured the cross-sectional boundary profiles at extreme positions of a surface-oscillating liquid column ejected from a deformed microscopic orifice. We obtained a coefficient of 0.42 ± 0.08 consistently under various experimental conditions. We also measured the resonance mode spectrum of a two-dimensional cavity formed by the cross-sectional segment of the liquid jet. The observed spectra agree well with wave calculations assuming a coefficient of 0.414 ± 0.011. Our measurements establish the first experimental observation of Bohr's hydrodynamic theory.

Extended I-Love relations for slowly rotating neutron stars

NASA Astrophysics Data System (ADS)

Gagnon-Bischoff, Jérémie; Green, Stephen R.; Landry, Philippe; Ortiz, Néstor

2018-03-01

Observations of gravitational waves from inspiralling neutron star binaries—such as GW170817—can be used to constrain the nuclear equation of state by placing bounds on stellar tidal deformability. For slowly rotating neutron stars, the response to a weak quadrupolar tidal field is characterized by four internal-structure-dependent constants called "Love numbers." The tidal Love numbers k2el and k2mag measure the tides raised by the gravitoelectric and gravitomagnetic components of the applied field, and the rotational-tidal Love numbers fo and ko measure those raised by couplings between the applied field and the neutron star spin. In this work, we compute these four Love numbers for perfect fluid neutron stars with realistic equations of state. We discover (nearly) equation-of-state independent relations between the rotational-tidal Love numbers and the moment of inertia, thereby extending the scope of I-Love-Q universality. We find that similar relations hold among the tidal and rotational-tidal Love numbers. These relations extend the applications of I-Love universality in gravitational-wave astronomy. As our findings differ from those reported in the literature, we derive general formulas for the rotational-tidal Love numbers in post-Newtonian theory and confirm numerically that they agree with our general-relativistic computations in the weak-field limit.

Oscillations and instabilities of fast and differentially rotating relativistic stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krueger, Christian; Gaertig, Erich; Kokkotas, Kostas D.

2010-04-15

We study nonaxisymmetric oscillations of rapidly and differentially rotating relativistic stars in the Cowling approximation. Our equilibrium models are sequences of relativistic polytropes, where the differential rotation is described by the relativistic j-constant law. We show that a small degree of differential rotation raises the critical rotation value for which the quadrupolar f-mode becomes prone to the Chandrasekhar-Friedman-Schutz (CFS) instability, while the critical value of T/|W| at the mass-shedding limit is raised even more. For stiffer equations of state these effects are even more pronounced. When increasing differential rotation further to a high degree, the neutral point of the CFSmore » instability first reaches a local maximum and is lowered afterwards. For stars with a rather high compactness we find that for a large degree of differential rotation the absolute value of the critical T/|W| is below the corresponding value for rigid rotation. We conclude that the onset of the CFS instability is eased for a small degree of differential rotation and for a large degree at least in stars with a higher compactness. Moreover, we were able to extract the eigenfrequencies and the eigenfunctions of r-modes for differentially rotating stars and our simulations show a good qualitative agreement with previous Newtonian results.« less

Hyperfine fields and anisotropy of the orbital moment in epitaxial Mn5Ge3 films studied by 55Mn NMR

NASA Astrophysics Data System (ADS)

Kalvig, R.; Jedryka, E.; Wojcik, M.; Allodi, G.; De Renzi, R.; Petit, M.; Michez, L.

2018-05-01

55Mn NMR was used to perform the atomic-scale study of the anisotropic properties of Mn5Ge3 /Ge(111) epitaxial films with thicknesses between 9 and 300 nm. The NMR spectra have been recorded as a function of strong external magnetic field applied in the film plane and perpendicular to it. Two 55Mn NMR resonances have been observed, corresponding to the two manganese sites 4 d and 6 g , in the hexagonal D 88 structure; in zero field their frequency is centered around 207.5 and 428 MHz, respectively. The anisotropy of 55Mn hyperfine fields between the hexagonal c direction and the c plane at both Mn sites was evidenced and attributed to the anisotropic term due to the unquenched Mn orbital momentum. The anisotropy of the orbital contribution to hyperfine fields was determined as 1.52 T in the 4 d site and up to 2.77 T in the 6 g site. The 4 d site reveals a quadrupolar interaction due to the strong electric field gradient: Vz z=5.3 ×1019V/m2 in this site, which is shown to be oriented along the hexagonal c axis.

Natural abundance 17O DNP two-dimensional and surface-enhanced NMR spectroscopy

DOE PAGES

Perras, Frédéric A.; Kobayashi, Takeshi; Pruski, Marek

2015-06-22

Due to its extremely low natural abundance and quadrupolar nature, the 17O nuclide is very rarely used for spectroscopic investigation of solids by NMR without isotope enrichment. Additionally, the applicability of dynamic nuclear polarization (DNP), which leads to sensitivity enhancements of 2 orders of magnitude, to 17O is wrought with challenges due to the lack of spin diffusion and low polarization transfer efficiency from 1H. Here, we demonstrate new DNP-based measurements that extend 17O solid-state NMR beyond its current capabilities. The use of the PRESTO technique instead of conventional 1H– 17O cross-polarization greatly improves the sensitivity and enables the facilemore » measurement of undistorted line shapes and two-dimensional 1H– 17O HETCOR NMR spectra as well as accurate internuclear distance measurements at natural abundance. This was applied for distinguishing hydrogen-bonded and lone 17O sites on the surface of silica gel; the one-dimensional spectrum of which could not be used to extract such detail. As a result, this greatly enhanced sensitivity has enabled, for the first time, the detection of surface hydroxyl sites on mesoporous silica at natural abundance, thereby extending the concept of DNP surface-enhanced NMR spectroscopy to the 17O nuclide.« less

From Order to Chaos in Earth Satellite Orbits

NASA Astrophysics Data System (ADS)

Gkolias, Ioannis; Daquin, Jérôme; Gachet, Fabien; Rosengren, Aaron J.

2016-11-01

We consider Earth satellite orbits in the range of semimajor axes where the perturbing effects of Earth’s oblateness and lunisolar gravity are of comparable order. This range covers the medium-Earth orbits (MEO) of the Global Navigation Satellite Systems and the geosynchronous orbits (GEO) of the communication satellites. We recall a secular and quadrupolar model, based on the Milankovitch vector formulation of perturbation theory, which governs the long-term orbital evolution subject to the predominant gravitational interactions. We study the global dynamics of this two-and-a-half degrees-of-freedom Hamiltonian system by means of the fast Lyapunov indicator (FLI), used in a statistical sense. Specifically, we characterize the degree of chaoticity of the action space using angle-averaged normalized FLI maps, thereby overcoming the angle dependencies of the conventional stability maps. Emphasis is placed upon the phase-space structures near secular resonances, which are of primary importance to the space debris community. We confirm and quantify the transition from order to chaos in MEO, stemming from the critical inclinations and find that highly inclined GEO orbits are particularly unstable. Despite their reputed normality, Earth satellite orbits can possess an extraordinarily rich spectrum of dynamical behaviors and, from a mathematical perspective, have all the complications that make them very interesting candidates for testing the modern tools of chaos theory.

DETECTION OF THE AMMONIUM ION IN SPACE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cernicharo, J.; Tercero, B.; Fuente, A.

2013-07-01

We report on the detection of a narrow feature at 262816.73 MHz toward Orion and the cold prestellar core B1-bS which we attribute to the 1{sub 0}-0{sub 0} line of the deuterated ammonium ion, NH{sub 3}D{sup +}. The observations were performed with the IRAM 30 m radio telescope. The carrier has to be a light molecular species as it is the only feature detected over 3.6 GHz of bandwidth. The hyperfine structure is not resolved, indicating a very low value for the electric quadrupolar coupling constant of nitrogen which is expected for NH{sub 3}D{sup +} as the electric field overmore » the N nucleus is practically zero. Moreover, the feature is right at the predicted frequency for the 1{sub 0}-0{sub 0} transition of the ammonium ion, 262817 {+-} 6 MHz (3{sigma}), using rotational constants derived from new infrared data obtained in our laboratory in Madrid. The estimated column density is (1.1 {+-} 0.2) Multiplication-Sign 10{sup 12} cm{sup -2}. Assuming a deuterium enhancement similar to that of NH{sub 2}D, we derive N(NH{sub 4}{sup +}) {approx_equal} 2.6 Multiplication-Sign 10{sup 13} cm{sup -2}, i.e., an abundance for ammonium of a few 10{sup -11}.« less

33S nuclear magnetic resonance spectroscopy of biological samples obtained with a laboratory model 33S cryogenic probe

NASA Astrophysics Data System (ADS)

Hobo, Fumio; Takahashi, Masato; Saito, Yuta; Sato, Naoki; Takao, Tomoaki; Koshiba, Seizo; Maeda, Hideaki

2010-05-01

S33 nuclear magnetic resonance (NMR) spectroscopy is limited by inherently low NMR sensitivity because of the quadrupolar moment and low gyromagnetic ratio of the S33 nucleus. We have developed a 10 mm S33 cryogenic NMR probe, which is operated at 9-26 K with a cold preamplifier and a cold rf switch operated at 60 K. The S33 NMR sensitivity of the cryogenic probe is as large as 9.8 times that of a conventional 5 mm broadband NMR probe. The S33 cryogenic probe was applied to biological samples such as human urine, bile, chondroitin sulfate, and scallop tissue. We demonstrated that the system can detect and determine sulfur compounds having SO42- anions and -SO3- groups using the S33 cryogenic probe, as the S33 nuclei in these groups are in highly symmetric environments. The NMR signals for other common sulfur compounds such as cysteine are still undetectable by the S33 cryogenic probe, as the S33 nuclei in these compounds are in asymmetric environments. If we shorten the rf pulse width or decrease the rf coil diameter, we should be able to detect the NMR signals for these compounds.

New Astrometric Limits on the Stochastic Gravitational Wave Background

NASA Astrophysics Data System (ADS)

Darling, Jeremiah K.; Truebenbach, Alexandra; Paine, Jennie

2018-06-01

We present new limits on the low frequency (f < 10-8 Hz) stochastic gravitational wave background using correlated extragalactic proper motions. The familiar methods for gravitational wave detection are ground- and space-based laser interferometry, pulsar timing, and polarization of the cosmic microwave background. Astrometry offers an additional path to gravitational wave detection because gravitational waves deflect the light rays of extragalactic objects, creating apparent proper motions in a quadrupolar (and higher order modes) pattern. Astrometry is sensitive to gravitational waves with frequencies between roughly 10-18 Hz and 10-8 Hz (between H0 and 1/3 yr-1), which overlaps and bridges the pulsar timing and CMB polarization regimes. We present the methods and results of two complementary approaches to astrometric gravitational wave detection: (1) a small ~500-object radio interferometric sample with low per-source proper motion uncertainty but large intrinsic proper motions caused by radio jets, and (2) a thousand-fold larger sample with large per-source uncertainties that has small intrinsic proper motions (Gaia active galactic nuclei). Both approaches produce limits on ΩGW, the energy density of gravitational waves as a fraction of the cosmological critical energy density.The authors acknowledge support from the NSF grant AST-1411605 and the NASA grant 14-ATP14-0086.

Interpolation by fast Wigner transform for rapid calculations of magnetic resonance spectra from powders.

PubMed

Stevensson, Baltzar; Edén, Mattias

2011-03-28

We introduce a novel interpolation strategy, based on nonequispaced fast transforms involving spherical harmonics or Wigner functions, for efficient calculations of powder spectra in (nuclear) magnetic resonance spectroscopy. The fast Wigner transform (FWT) interpolation operates by minimizing the time-consuming calculation stages, by sampling over a small number of Gaussian spherical quadrature (GSQ) orientations that are exploited to determine the spectral frequencies and amplitudes from a 10-70 times larger GSQ set. This results in almost the same orientational averaging accuracy as if the expanded grid was utilized explicitly in an order of magnitude slower computation. FWT interpolation is applicable to spectral simulations involving any time-independent or time-dependent and noncommuting spin Hamiltonian. We further show that the merging of FWT interpolation with the well-established ASG procedure of Alderman, Solum and Grant [J. Chem. Phys. 134, 3717 (1986)] speeds up simulations by 2-7 times relative to using ASG alone (besides greatly extending its scope of application), and between 1-2 orders of magnitude compared to direct orientational averaging in the absence of interpolation. Demonstrations of efficient spectral simulations are given for several magic-angle spinning scenarios in NMR, encompassing half-integer quadrupolar spins and homonuclear dipolar-coupled (13)C systems.

Synthesis of Pyridine– and Pyrazine–BF 3 Complexes and Their Characterization in Solution and Solid State

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chénard, Etienne; Sutrisno, Andre; Zhu, Lingyang

2016-03-31

Following the discovery of the redox-active 1,4- bis-BF 3-quinoxaline complex, we undertook a structure- activity study with the objective to understand the active nature of the quinoxaline complex. Through systematic synthesis and characterization, we have compared complexes prepared from pyridine and pyrazine derivatives, as heterocyclic core analogues. This paper reports the structural requirements that give rise to the electrochemical features of the 1,4-bis-BF 3-quinoxaline adduct. Using solution and solidstate NMR spectroscopy, the role of aromatic ring fusion and nitrogen incorporation in bonding and electronics was elucidated. We establish the boron atom location and its interaction with its environment from 1Dmore » and 2D solution NMR, X-ray diffraction analysis, and 11B solid-state NMR experiments. Crystallographic analysis of single crystals helped to correlate the boron geometry with 11B quadrupolar coupling constant (CQ) and asymmetry parameter (ηQ), extracted from 11B solid-state NMR spectra. Additionally, computations based on density functional theory were performed to predict electrochemical behavior of the BF 3-heteroaromatic complexes. We then experimentally measured electrochemical potential using cyclic voltammetry and found that the redox potentials and CQ values are similarly affected by electronic changes in the complexes.« less

Insight into the local environment of magnesium and calcium in low-coordination-number organo-complexes using 25Mg and 43Ca solid-state NMR: a DFT study.

PubMed

Gervais, Christel; Jones, Cameron; Bonhomme, Christian; Laurencin, Danielle

2017-03-01

With the increasing number of organocalcium and organomagnesium complexes under development, there is a real need to be able to characterize in detail their local environment in order to fully rationalize their reactivity. For crystalline structures, in cases when diffraction techniques are insufficient, additional local spectroscopies like 25 Mg and 43 Ca solid-state NMR may provide valuable information to help fully establish the local environment of the metal ions. In this current work, a prospective DFT investigation on crystalline magnesium and calcium complexes involving low-coordination numbers and N-bearing organic ligands was carried out, in which the 25 Mg and 43 Ca NMR parameters [isotropic chemical shift, chemical shift anisotropy (CSA) and quadrupolar parameters] were calculated for each structure. The analysis of the calculated parameters in relation to the local environment of the metal ions revealed that they are highly sensitive to very small changes in geometry/distances, and hence that they could be used to assist in the refinement of crystal structures. Moreover, such calculations provide a guideline as to how the NMR measurements will need to be performed, revealing that these will be very challenging.

Experimental Observation of Bohr’s Nonlinear Fluidic Surface Oscillation

PubMed Central

Moon, Songky; Shin, Younghoon; Kwak, Hojeong; Yang, Juhee; Lee, Sang-Bum; Kim, Soyun; An, Kyungwon

2016-01-01

Niels Bohr in the early stage of his career developed a nonlinear theory of fluidic surface oscillation in order to study surface tension of liquids. His theory includes the nonlinear interaction between multipolar surface oscillation modes, surpassing the linear theory of Rayleigh and Lamb. It predicts a specific normalized magnitude of 0.416η2 for an octapolar component, nonlinearly induced by a quadrupolar one with a magnitude of η much less than unity. No experimental confirmation on this prediction has been reported. Nonetheless, accurate determination of multipolar components is important as in optical fiber spinning, film blowing and recently in optofluidic microcavities for ray and wave chaos studies and photonics applications. Here, we report experimental verification of his theory. By using optical forward diffraction, we measured the cross-sectional boundary profiles at extreme positions of a surface-oscillating liquid column ejected from a deformed microscopic orifice. We obtained a coefficient of 0.42 ± 0.08 consistently under various experimental conditions. We also measured the resonance mode spectrum of a two-dimensional cavity formed by the cross-sectional segment of the liquid jet. The observed spectra agree well with wave calculations assuming a coefficient of 0.414 ± 0.011. Our measurements establish the first experimental observation of Bohr’s hydrodynamic theory. PMID:26803911

Breakout Reconnection Observed by the TESIS EUV Telescope

NASA Astrophysics Data System (ADS)

Reva, A. A.; Ulyanov, A. S.; Shestov, S. V.; Kuzin, S. V.

2016-01-01

We present experimental evidence of the coronal mass ejection (CME) breakout reconnection, observed by the TESIS EUV telescope. The telescope could observe solar corona up to 2 R⊙ from the Sun center in the Fe 171 Å line. Starting from 2009 April 8, TESIS observed an active region (AR) that had a quadrupolar structure with an X-point 0.5 R⊙ above photosphere. A magnetic field reconstructed from the Michelson Doppler Imager data also has a multipolar structure with an X-point above the AR. At 21:45 UT on April 9, the loops near the X-point started to move away from each other with a velocity of ≈7 km s-1. At 01:15 UT on April 10, a bright stripe appeared between the loops, and the flux in the GOES 0.5-4 Å channel increased. We interpret the loops’ sideways motion and the bright stripe as evidence of the breakout reconnection. At 01:45 UT, the loops below the X-point started to slowly move up. At 15:10 UT, the CME started to accelerate impulsively, while at the same time a flare arcade formed below the CME. After 15:50 UT, the CME moved with constant velocity. The CME evolution precisely followed the breakout model scenario.

Chaotic Transport in Circumterrestrial Orbits

NASA Astrophysics Data System (ADS)

Rosengren, Aaron Jay

2018-04-01

The slow deformation of circumterrestrial orbits in the medium region, subject to lunisolar secular resonances, is well approximated by a Hamiltonian system with 2.5 degrees of freedom. This dynamical model is referred to in the astrophysical and celestial dynamics communities as the quadrupolar, secular, hierarchical three-body problem, and, in the non-autonomous case, gives rise to the classical Kozai-Lidov mechanism. In the time-dependent model, brought about in our case by the Moon's perturbed motion, the action variables of the system may experience chaotic variations and large drifts due to the possible overlap of nearby resonances. Using variational chaos indicators, we compute high-resolution portraits of the action space, revealing the existence of tori and structures filling chaotic regions. Our refined and elaborate calculations allow us to isolate precise initial conditions near specific areas of interest and to study their asymptotic behavior in time. We highlight in particular how the drift in phase space is mediated by the complement of the numerically detected KAM tori. Despite their reputed normality, Earth satellite orbits can possess an extraordinarily rich spectrum of dynamical behaviors, and, like the small body remnants of Solar system formation, they have all the complications that make them very interesting candidates for testing the modern tools of chaos theory.

YOHKOH Observations at the Y2K Solar Maximum

NASA Astrophysics Data System (ADS)

Aschwanden, M. J.

1999-05-01

Yohkoh will provide simultaneous co-aligned soft X-ray and hard X-ray observations of solar flares at the coming solar maximum. The Yohkoh Soft X-ray Telescope (SXT) covers the approximate temperature range of 2-20 MK with a pixel size of 2.46\\arcsec, and thus complements ideally the EUV imagers sensitive in the 1-2 MK plasma, such as SoHO/EIT and TRACE. The Yohkoh Hard X-ray Telescope (HXT) offers hard X-ray imaging at 20-100 keV at a time resolution of down to 0.5 sec for major events. In this paper we review the major SXT and HXT results from Yohkoh solar flare observations, and anticipate some of the key questions that can be addressed through joint observations with other ground and space-based observatories. This encompasses the dynamics of flare triggers (e.g. emerging flux, photospheric shear, interaction of flare loops in quadrupolar geometries, large-scale magnetic reconfigurations, eruption of twisted sigmoid structures, coronal mass ejections), the physics of particle dynamics during flares (acceleration processes, particle propagation, trapping, and precipitation), and flare plasma heating processes (chromospheric evaporation, coronal energy loss by nonthermal particles). In particular we will emphasize on how Yohkoh data analysis is progressing from a qualitative to a more quantitative science, employing 3-dimensional modeling and numerical simulations.

NMR longitudinal relaxation enhancement in metal halides by heteronuclear polarization exchange during magic-angle spinning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shmyreva, Anna A.; Safdari, Majid; Furó, István

2016-06-14

Orders of magnitude decrease of {sup 207}Pb and {sup 199}Hg NMR longitudinal relaxation times T{sub 1} upon magic-angle-spinning (MAS) are observed and systematically investigated in solid lead and mercury halides MeX{sub 2} (Me = Pb, Hg and X = Cl, Br, I). In lead(II) halides, the most dramatic decrease of T{sub 1} relative to that in a static sample is in PbI{sub 2}, while it is smaller but still significant in PbBr{sub 2}, and not detectable in PbCl{sub 2}. The effect is magnetic-field dependent but independent of the spinning speed in the range 200–15 000 Hz. The observed relaxation enhancementmore » is explained by laboratory-frame heteronuclear polarization exchange due to crossing between energy levels of spin-1/2 metal nuclei and adjacent quadrupolar-spin halogen nuclei. The enhancement effect is also present in lead-containing organometal halide perovskites. Our results demonstrate that in affected samples, it is the relaxation data recorded under non-spinning conditions that characterize the local properties at the metal sites. A practical advantage of fast relaxation at slow MAS is that spectral shapes with orientational chemical shift anisotropy information well retained can be acquired within a shorter experimental time.« less

Super-Alfvénic Propagation and Damping of Reconnection Onset Signatures

NASA Astrophysics Data System (ADS)

Sharma Pyakurel, P.; Shay, M. A.; Haggerty, C. C.; Parashar, T. N.; Drake, J. F.; Cassak, P. A.; Gary, S. Peter

2018-01-01

The quadrupolar out-of-plane Hall magnetic field generated during collisionless reconnection propagates away from the x line as a kinetic Alfvén wave (KAW). While it has been shown that this KAW carries substantial Poynting flux and propagates super-Alfvenically, how this KAW damps as it propagates away from the x line is not well understood. In this study, this damping is examined using kinetic particle-in-cell simulations of antiparallel symmetric magnetic reconnection in a one-dimensional current sheet equilibrium. In the reconnection simulations, the KAW wave vector has a typical magnitude comparable to an inverse fluid Larmor radius (effectively an inverse ion Larmor radius) and a direction of 85-89° relative to the local magnetic field. We find that the damping of the reconnection KAW is consistent with linear Landau damping results from a numerical Vlasov dispersion solver. This knowledge allows us to generalize our damping predictions to regions in the magnetotail and solar corona where the magnetic geometry can be approximated as a current sheet. For the magnetotail, the KAW from reconnection will not damp away before propagating the approximately 20 Earth radii associated with global magnetotail distances. For the solar corona, on the other hand, these KAWs will completely damp before reaching the distances comparable to the flare loop length.

Spin-orbit interaction driven dimerization in one dimensional frustrated magnets

NASA Astrophysics Data System (ADS)

Zhang, Shang-Shun; Batista, Cristian D.

Spin nematic ordering has been proposed to emerge near the saturation of field of a class of frustrated magnets. The experimental observation of this novel phase is challenging for the traditional experimental probes. Nematic spin ordering is expected to induce a local quadrupolar electric moment via the spin-orbit coupling. However, a finite spin-orbit interaction explicitly breaks the U(1) symmetry of global spin rotations down to Z2, which renders the traditional nematic order no longer well-defined. In this work we investigate the relevant effect of spin-orbit interaction on the 1D frustrated J1 -J2 model. The real and the imaginary parts of the nematic order parameter belong to different representations of the discrete symmetry group of the new Hamiltonian. We demonstrate that spin-orbit coupling stabilizes the real component and simultaneously induces bond dimerization in most of the phase diagram. Such a bond dimerization can be observed with X-rays or nuclear magnetic resonance. In addition, an incommensurate bond-density wave (ICBDW) appears for smaller values of J2 / |J1 | . The experimental fingerprint of the ICBDW is a double-horn shape of the the NMR line. These conclusions can shed light on the experimental search of this novel phase.

Restricted lithium ion dynamics in PEO-based block copolymer electrolytes measured by high-field nuclear magnetic resonance relaxation

NASA Astrophysics Data System (ADS)

Huynh, Tan Vu; Messinger, Robert J.; Sarou-Kanian, Vincent; Fayon, Franck; Bouchet, Renaud; Deschamps, Michaël

2017-10-01

The intrinsic ionic conductivity of polyethylene oxide (PEO)-based block copolymer electrolytes is often assumed to be identical to the conductivity of the PEO homopolymer. Here, we use high-field 7Li nuclear magnetic resonance (NMR) relaxation and pulsed-field-gradient (PFG) NMR diffusion measurements to probe lithium ion dynamics over nanosecond and millisecond time scales in PEO and polystyrene (PS)-b-PEO-b-PS electrolytes containing the lithium salt LiTFSI. Variable-temperature longitudinal (T1) and transverse (T2) 7Li NMR relaxation rates were acquired at three magnetic field strengths and quantitatively analyzed for the first time at such fields, enabling us to distinguish two characteristic time scales that describe fluctuations of the 7Li nuclear electric quadrupolar interaction. Fast lithium motions [up to O (ns)] are essentially identical between the two polymer electrolytes, including sub-nanosecond vibrations and local fluctuations of the coordination polyhedra between lithium and nearby oxygen atoms. However, lithium dynamics over longer time scales [O (10 ns) and greater] are slower in the block copolymer compared to the homopolymer, as manifested experimentally by their different transverse 7Li NMR relaxation rates. Restricted dynamics and altered thermodynamic behavior of PEO chains anchored near PS domains likely explain these results.

Investigate the shock focusing under a single vortex disturbance using 2D Saint-Venant equations with a shock-capturing scheme

NASA Astrophysics Data System (ADS)

Zhao, Jiaquan; Li, Renfu; Wu, Haiyan

2018-02-01

In order to characterize the flow structure and the effect of acoustic waves caused by the shock-vortex interaction on the performance of the shock focusing, the incident plane shock wave with a single disturbance vortex focusing in a parabolic cavity is simulated systematically through solving the two-dimensional, unsteady Saint-Venant equations with the two order HLL scheme of Riemann solvers. The simulations show that the dilatation effect to be dominant in the net vorticity generation, while the baroclinic effect is dominate in the absence of initial vortex disturbance. Moreover, the simulations show that the time evolution of maximum focusing pressure with initial vortex is more complicate than that without initial vortex, which has a lot of relevance with the presence of quadrupolar acoustic wave structure induced by shock-vortex interaction and its propagation in the cavity. Among shock and other disturbance parameters, the shock Mach number, vortex Mach number and the shape of parabolic reflector proved to play a critical role in the focusing of shock waves and the strength of viscous dissipation, which in turn govern the evolution of maximum focusing pressure due to the gas dynamic focus, the change in dissipation rate and the coincidence of motion disturbance vortex with aerodynamic focus point.

A Linear Ion Trap with an Expanded Inscribed Diameter to Improve Optical Access for Fluorescence Spectroscopy

NASA Astrophysics Data System (ADS)

Rajagopal, Vaishnavi; Stokes, Chris; Ferzoco, Alessandra

2018-02-01

We report a custom-geometry linear ion trap designed for fluorescence spectroscopy of gas-phase ions at ambient to cryogenic temperatures. Laser-induced fluorescence from trapped ions is collected from between the trapping rods, orthogonal to the excitation laser that runs along the axis of the linear ion trap. To increase optical access to the ion cloud, the diameter of the round trapping rods is 80% of the inscribed diameter, rather than the roughly 110% used to approximate purely quadrupolar electric fields. To encompass as much of the ion cloud as possible, the first collection optic has a 25.4 mm diameter and a numerical aperture of 0.6. The choice of geometry and collection optics yields 107 detected photons/s from trapped rhodamine 6G ions. The trap is coupled to a closed-cycle helium refrigerator, which in combination with two 50 Ohm heaters enables temperature control to below 25 K on the rod electrodes. The purpose of the instrument is to broaden the applicability of fluorescence spectroscopy of gas-phase ions to cases where photon emission is a minority relaxation pathway. Such studies are important to understand how the microenvironment of a chromophore influences excited state charge transfer processes.

Evaluation of bearing configurations using the single bearing tester in liquid nitrogen

NASA Technical Reports Server (NTRS)

Jett, T.; Hall, P.; Thom, R.

1991-01-01

Various bearing configurations were tested using the Marshall Space Flight Center single bearing tester with LN2 as the cryogenic coolant. The baseline was one Rocketdyne phase one high pressure oxidizer turbopump (HPOTP) pump end 45-mm bore bearing. The bearing configurations that were tested included a Salox/M cage configuration, a silicon nitride ball configuration, an elongated cage configuration, and a Bray 601 grease configuration.

Configuration Management Plan for the Tank Farm Contractor

DOE Office of Scientific and Technical Information (OSTI.GOV)

WEIR, W.R.

The Configuration Management Plan for the Tank Farm Contractor describes configuration management the contractor uses to manage and integrate its technical baseline with the programmatic and functional operations to perform work. The Configuration Management Plan for the Tank Farm Contractor supports the management of the project baseline by providing the mechanisms to identify, document, and control the technical characteristics of the products, processes, and structures, systems, and components (SSC). This plan is one of the tools used to identify and provide controls for the technical baseline of the Tank Farm Contractor (TFC). The configuration management plan is listed in themore » management process documents for TFC as depicted in Attachment 1, TFC Document Structure. The configuration management plan is an integrated approach for control of technical, schedule, cost, and administrative processes necessary to manage the mission of the TFC. Configuration management encompasses the five functional elements of: (1) configuration management administration, (2) configuration identification, (3) configuration status accounting, (4) change control, and (5 ) configuration management assessments.« less

Tank waste remediation system configuration management plan

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vann, J.M.

The configuration management program for the Tank Waste Remediation System (TWRS) Project Mission supports management of the project baseline by providing the mechanisms to identify, document, and control the functional and physical characteristics of the products. This document is one of the tools used to develop and control the mission and work. It is an integrated approach for control of technical, cost, schedule, and administrative information necessary to manage the configurations for the TWRS Project Mission. Configuration management focuses on five principal activities: configuration management system management, configuration identification, configuration status accounting, change control, and configuration management assessments. TWRS Projectmore » personnel must execute work in a controlled fashion. Work must be performed by verbatim use of authorized and released technical information and documentation. Application of configuration management will be consistently applied across all TWRS Project activities and assessed accordingly. The Project Hanford Management Contract (PHMC) configuration management requirements are prescribed in HNF-MP-013, Configuration Management Plan (FDH 1997a). This TWRS Configuration Management Plan (CMP) implements those requirements and supersedes the Tank Waste Remediation System Configuration Management Program Plan described in Vann, 1996. HNF-SD-WM-CM-014, Tank Waste Remediation System Configuration Management Implementation Plan (Vann, 1997) will be revised to implement the requirements of this plan. This plan provides the responsibilities, actions and tools necessary to implement the requirements as defined in the above referenced documents.« less

Identity configurations: a new perspective on identity formation in contemporary society.

PubMed

Schachter, Elli P

2004-02-01

This paper deals with the theoretical construct of "identity configuration." It portrays the different possible ways in which individuals configure the relationship among potentially conflicting identifications in the process of identity formation. In order to explicate these configurations, I analyzed narratives of identity development retold by individuals describing personal identity conflicts that arise within a larger context of sociocultural conflict. Thirty Jewish modern orthodox young adults were interviewed regarding a potentially conflictual identity issue (i.e. their religious and sexual development). Their deliberations, as described in the interviews, were examined, and four different configurations were identified: a configuration based on choice and suppression; an assimilative and synthesizing configuration; a confederacy of identifications; and a configuration based on the thrill of dissonance. The different configurations are illustrated through exemplars, and the possible implications of the concept of "configuration" for identity theory are discussed.

Operational Dynamic Configuration Analysis

NASA Technical Reports Server (NTRS)

Lai, Chok Fung; Zelinski, Shannon

2010-01-01

Sectors may combine or split within areas of specialization in response to changing traffic patterns. This method of managing capacity and controller workload could be made more flexible by dynamically modifying sector boundaries. Much work has been done on methods for dynamically creating new sector boundaries [1-5]. Many assessments of dynamic configuration methods assume the current day baseline configuration remains fixed [6-7]. A challenging question is how to select a dynamic configuration baseline to assess potential benefits of proposed dynamic configuration concepts. Bloem used operational sector reconfigurations as a baseline [8]. The main difficulty is that operational reconfiguration data is noisy. Reconfigurations often occur frequently to accommodate staff training or breaks, or to complete a more complicated reconfiguration through a rapid sequence of simpler reconfigurations. Gupta quantified a few aspects of airspace boundary changes from this data [9]. Most of these metrics are unique to sector combining operations and not applicable to more flexible dynamic configuration concepts. To better understand what sort of reconfigurations are acceptable or beneficial, more configuration change metrics should be developed and their distribution in current practice should be computed. This paper proposes a method to select a simple sequence of configurations among operational configurations to serve as a dynamic configuration baseline for future dynamic configuration concept assessments. New configuration change metrics are applied to the operational data to establish current day thresholds for these metrics. These thresholds are then corroborated, refined, or dismissed based on airspace practitioner feedback. The dynamic configuration baseline selection method uses a k-means clustering algorithm to select the sequence of configurations and trigger times from a given day of operational sector combination data. The clustering algorithm selects a simplified schedule containing k configurations based on stability score of the sector combinations among the raw operational configurations. In addition, the number of the selected configurations is determined based on balance between accuracy and assessment complexity.

Are nonsymmetric balanced configurations of four equal masses virtual or real?

NASA Astrophysics Data System (ADS)

Chenciner, Alain

2017-11-01

Balanced configurations of N point masses are the configurations which, in a Euclidean space of high enough dimension, i. e., up to 2( N - 1), admit a relative equilibrium motion under the Newtonian (or similar) attraction. Central configurations are balanced and it has been proved by Alain Albouy that central configurations of four equal masses necessarily possess a symmetry axis, from which followed a proof that the number of such configurations up to similarity is finite and explicitly describable. It is known that balanced configurations of three equal masses are exactly the isosceles triangles, but it is not known whether balanced configurations of four equal masses must have some symmetry. As balanced configurations come in families, it makes sense to look for possible branches of nonsymmetric balanced configurations bifurcating from the subset of symmetric ones. In the simpler case of a logarithmic potential, the subset of symmetric balanced configurations of four equal masses is easy to describe as well as the bifurcation locus, but there is a grain of salt: expressed in terms of the squared mutual distances, this locus lies almost completely outside the set of true configurations (i. e., generalizations of triangular inequalities are not satisfied) and hence could lead most of the time only to the bifurcation of a branch of virtual nonsymmetric balanced configurations. Nevertheless, a tiny piece of the bifurcation locus lies within the subset of real balanced configurations symmetric with respect to a line and hence has a chance to lead to the bifurcation of real nonsymmetric balanced configurations. This raises the question of the title, a question which, thanks to the explicit description given here, should be solvable by computer experts even in the Newtonian case. Another interesting question is about the possibility for a bifurcating branch of virtual nonsymmetric balanced configurations to come back to the domain of true configurations.

Aerodynamic design and analysis of the AST-204, AST-205, and AST-206 blended wing-fuse large supersonic transport configuration concepts

NASA Technical Reports Server (NTRS)

Martin, G. L.; Walkley, K. B.

1980-01-01

The aerodynamic design and analysis of three blended wing-fuselage supersonic cruise configurations providing four, five, and six abreast seating was conducted using a previously designed supersonic cruise configuration as the baseline. The five abreast configuration was optimized for wave drag at a Mach number of 2.7. The four and six abreast configurations were also optimized at Mach 2.7, but with the added constraint that the majority of their structure be common with the five abreast configuration. Analysis of the three configurations indicated an improvement of 6.0, 7.5, and 7.7 percent in cruise lift-to-drag ratio over the baseline configuration for the four, five, and six abreast configurations, respectively.

More Than the Sum of Its Parts: A Role for the Hippocampus in Configural Reinforcement Learning.

PubMed

Duncan, Katherine; Doll, Bradley B; Daw, Nathaniel D; Shohamy, Daphna

2018-05-02

People often perceive configurations rather than the elements they comprise, a bias that may emerge because configurations often predict outcomes. But how does the brain learn to associate configurations with outcomes and how does this learning differ from learning about individual elements? We combined behavior, reinforcement learning models, and functional imaging to understand how people learn to associate configurations of cues with outcomes. We found that configural learning depended on the relative predictive strength of elements versus configurations and was related to both the strength of BOLD activity and patterns of BOLD activity in the hippocampus. Configural learning was further related to functional connectivity between the hippocampus and nucleus accumbens. Moreover, configural learning was associated with flexible knowledge about associations and differential eye movements during choice. Together, this suggests that configural learning is associated with a distinct computational, cognitive, and neural profile that is well suited to support flexible and adaptive behavior. Copyright © 2018 Elsevier Inc. All rights reserved.

Study of odd parity configurations in neutral tungsten

NASA Astrophysics Data System (ADS)

Husain, Abid; Jabeen, S.; Wajid, Abdul

2018-05-01

The ground configuration of neutral tungsten is 5d46s2. The first excited configurations in the odd parity system are 5d36s2 (6p+7p+5f+6f)+5d46s6p. Further excitation leads to large number of configurations. However the configuration 5d56p belonging to the odd parity was obtained by doubly exciting the 5d46s6p configuration. Relativistic Hartree-Fock (HFR) and least squares fitted (LSF) parametric calculations were carried out to interpret the observed spectrum recorded on a 1.5-m Wadsworth spectrograph at our laboratory in the wavelength region 2300Å to 4500Å. We confirmed the earlier reported ground configuration 5d46s2 and excited configuration 5d46s6p. Almost fifty new transitions establishing 22 energy levels belonging to the configuration 5d36s26p have been identified.

Forward-swept wing configuration designed for high maneuverability by use of a transonic computational method

NASA Technical Reports Server (NTRS)

Mann, M. J.; Mercer, C. E.

1986-01-01

A transonic computational analysis method and a transonic design procedure have been used to design the wing and the canard of a forward-swept-wing fighter configuration for good transonic maneuver performance. A model of this configuration was tested in the Langley 16-Foot Transonic Tunnel. Oil-flow photographs were obtained to examine the wind flow patterns at Mach numbers from 0.60 to 0.90. The transonic theory gave a reasonably good estimate of the wing pressure distributions at transonic maneuver conditions. Comparison of the forward-swept-wing configuration with an equivalent aft-swept-wing-configuration showed that, at a Mach number of 0.90 and a lift coefficient of 0.9, the two configurations have the same trimmed drag. The forward-swept wing configuration was also found to have trimmed drag levels at transonic maneuver conditions which are comparable to those of the HiMAT (highly maneuverable aircraft technology) configuration and the X-29 forward-swept-wing research configuration. The configuration of this study was also tested with a forebody strake.

A Second Generation Swirl-Venturi Lean Direct Injection Combustion Concept

NASA Technical Reports Server (NTRS)

Tacina, Kathleen M.; Chang, Clarence T.; He, Zhuohui Joe; Lee, Phil; Dam, Bidhan; Mongia, Hukam

2014-01-01

A low-NO (sub x) aircraft gas turbine engine combustion concept was developed and tested. The concept is a second generation swirl-venturi lean direct injection (SV-LDI) concept. LDI is a lean-burn combustion concept in which the fuel is injected directly into the flame zone. Three second generation SV-LDI configurations were developed. All three were based on the baseline 9-point SV-LDI configuration reported previously. These second generation configurations had better low power operability than the baseline 9-point configuration. Two of these second generation configurations were tested in a NASA Glenn Research Center flametube; these two configurations are called the at dome and 5-recess configurations. Results show that the 5-recess configuration generally had lower NO (sub x) emissions than the flat dome configuration. Correlation equations were developed for the flat dome configuration so that the landing-takeoff NO (sub x) emissions could be estimated. The flat dome landing-takeoff NO (sub x) is estimated to be 87-88 percent below the CAEP/6 standards, exceeding the ERA project goal of 75 percent reduction.

Comparison between four dissimilar solar panel configurations

NASA Astrophysics Data System (ADS)

Suleiman, K.; Ali, U. A.; Yusuf, Ibrahim; Koko, A. D.; Bala, S. I.

2017-12-01

Several studies on photovoltaic systems focused on how it operates and energy required in operating it. Little attention is paid on its configurations, modeling of mean time to system failure, availability, cost benefit and comparisons of parallel and series-parallel designs. In this research work, four system configurations were studied. Configuration I consists of two sub-components arranged in parallel with 24 V each, configuration II consists of four sub-components arranged logically in parallel with 12 V each, configuration III consists of four sub-components arranged in series-parallel with 8 V each, and configuration IV has six sub-components with 6 V each arranged in series-parallel. Comparative analysis was made using Chapman Kolmogorov's method. The derivation for explicit expression of mean time to system failure, steady state availability and cost benefit analysis were performed, based on the comparison. Ranking method was used to determine the optimal configuration of the systems. The results of analytical and numerical solutions of system availability and mean time to system failure were determined and it was found that configuration I is the optimal configuration.

Method and apparatus configured for identification of a material

DOEpatents

Slater, John M.; Crawford, Thomas M.

2000-01-01

The present invention includes an apparatus configured for identification of a material, and methods of identifying a material. One embodiment of the invention provides an apparatus including a first region configured to receive a first sample, the first region being configured to output a first spectrum corresponding to the first sample and responsive to exposure of the first sample to radiation; a modulator configured to modulate the first spectrum according to a first frequency; a second region configured to receive a second sample, the second region being configured to output a second spectrum corresponding to the second sample and responsive to exposure of the second sample to the modulated first spectrum; and a detector configured to detect the second spectrum having a second frequency greater than the first frequency.

A PBOM configuration and management method based on templates

NASA Astrophysics Data System (ADS)

Guo, Kai; Qiao, Lihong; Qie, Yifan

2018-03-01

The design of Process Bill of Materials (PBOM) holds a hinge position in the process of product development. The requirements of PBOM configuration design and management for complex products are analysed in this paper, which include the reuse technique of configuration procedure and urgent management need of huge quantity of product family PBOM data. Based on the analysis, the function framework of PBOM configuration and management has been established. Configuration templates and modules are defined in the framework to support the customization and the reuse of configuration process. The configuration process of a detection sensor PBOM is shown as an illustration case in the end. The rapid and agile PBOM configuration and management can be achieved utilizing template-based method, which has a vital significance to improve the development efficiency for complex products.

A configural dominant account of contextual cueing: Configural cues are stronger than colour cues.

PubMed

Kunar, Melina A; John, Rebecca; Sweetman, Hollie

2014-01-01

Previous work has shown that reaction times to find a target in displays that have been repeated are faster than those for displays that have never been seen before. This learning effect, termed "contextual cueing" (CC), has been shown using contexts such as the configuration of the distractors in the display and the background colour. However, it is not clear how these two contexts interact to facilitate search. We investigated this here by comparing the strengths of these two cues when they appeared together. In Experiment 1, participants searched for a target that was cued by both colour and distractor configural cues, compared with when the target was only predicted by configural information. The results showed that the addition of a colour cue did not increase contextual cueing. In Experiment 2, participants searched for a target that was cued by both colour and distractor configuration compared with when the target was only cued by colour. The results showed that adding a predictive configural cue led to a stronger CC benefit. Experiments 3 and 4 tested the disruptive effects of removing either a learned colour cue or a learned configural cue and whether there was cue competition when colour and configural cues were presented together. Removing the configural cue was more disruptive to CC than removing colour, and configural learning was shown to overshadow the learning of colour cues. The data support a configural dominant account of CC, where configural cues act as the stronger cue in comparison to colour when they are presented together.

Configuration and Data Management Process and the System Safety Professional

NASA Technical Reports Server (NTRS)

Shivers, Charles Herbert; Parker, Nelson C. (Technical Monitor)

2001-01-01

This article presents a discussion of the configuration management (CM) and the Data Management (DM) functions and provides a perspective of the importance of configuration and data management processes to the success of system safety activities. The article addresses the basic requirements of configuration and data management generally based on NASA configuration and data management policies and practices, although the concepts are likely to represent processes of any public or private organization's well-designed configuration and data management program.

Progressive Stereo Locking (PSL): A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and Other Small Molecules.

PubMed

Cornilescu, Gabriel; Ramos Alvarenga, René F; Wyche, Thomas P; Bugni, Tim S; Gil, Roberto R; Cornilescu, Claudia C; Westler, William M; Markley, John L; Schwieters, Charles D

2017-08-18

Establishing the relative configuration of a bioactive natural product represents the most challenging part in determining its structure. Residual dipolar couplings (RDCs) are sensitive probes of the relative spatial orientation of internuclear vectors. We adapted a force field structure calculation methodology to allow free sampling of both R and S configurations of the stereocenters of interest. The algorithm uses a floating alignment tensor in a simulated annealing protocol to identify the conformations and configurations that best fit experimental RDC and distance restraints (from NOE and J-coupling data). A unique configuration (for rigid molecules) or a very small number of configurations (for less rigid molecules) of the structural models having the lowest chiral angle energies and reasonable magnitudes of the alignment tensor are provided as the best predictions of the unknown configuration. For highly flexible molecules, the progressive locking of their stereocenters into their statistically dominant R or S state dramatically reduces the number of possible relative configurations. The result is verified by checking that the same configuration is obtained by initiating the locking from different regions of the molecule. For all molecules tested having known configurations (with conformations ranging from mostly rigid to highly flexible), the method accurately determined the correct configuration.

Dynamic positioning configuration and its first-order optimization

NASA Astrophysics Data System (ADS)

Xue, Shuqiang; Yang, Yuanxi; Dang, Yamin; Chen, Wu

2014-02-01

Traditional geodetic network optimization deals with static and discrete control points. The modern space geodetic network is, on the other hand, composed of moving control points in space (satellites) and on the Earth (ground stations). The network configuration composed of these facilities is essentially dynamic and continuous. Moreover, besides the position parameter which needs to be estimated, other geophysical information or signals can also be extracted from the continuous observations. The dynamic (continuous) configuration of the space network determines whether a particular frequency of signals can be identified by this system. In this paper, we employ the functional analysis and graph theory to study the dynamic configuration of space geodetic networks, and mainly focus on the optimal estimation of the position and clock-offset parameters. The principle of the D-optimization is introduced in the Hilbert space after the concept of the traditional discrete configuration is generalized from the finite space to the infinite space. It shows that the D-optimization developed in the discrete optimization is still valid in the dynamic configuration optimization, and this is attributed to the natural generalization of least squares from the Euclidean space to the Hilbert space. Then, we introduce the principle of D-optimality invariance under the combination operation and rotation operation, and propose some D-optimal simplex dynamic configurations: (1) (Semi) circular configuration in 2-dimensional space; (2) the D-optimal cone configuration and D-optimal helical configuration which is close to the GPS constellation in 3-dimensional space. The initial design of GPS constellation can be approximately treated as a combination of 24 D-optimal helixes by properly adjusting the ascending node of different satellites to realize a so-called Walker constellation. In the case of estimating the receiver clock-offset parameter, we show that the circular configuration, the symmetrical cone configuration and helical curve configuration are still D-optimal. It shows that the given total observation time determines the optimal frequency (repeatability) of moving known points and vice versa, and one way to improve the repeatability is to increase the rotational speed. Under the Newton's law of motion, the frequency of satellite motion determines the orbital altitude. Furthermore, we study three kinds of complex dynamic configurations, one of which is the combination of D-optimal cone configurations and a so-called Walker constellation composed of D-optimal helical configuration, the other is the nested cone configuration composed of n cones, and the last is the nested helical configuration composed of n orbital planes. It shows that an effective way to achieve high coverage is to employ the configuration composed of a certain number of moving known points instead of the simplex configuration (such as D-optimal helical configuration), and one can use the D-optimal simplex solutions or D-optimal complex configurations in any combination to achieve powerful configurations with flexile coverage and flexile repeatability. Alternately, how to optimally generate and assess the discrete configurations sampled from the continuous one is discussed. The proposed configuration optimization framework has taken the well-known regular polygons (such as equilateral triangle and quadrangular) in two-dimensional space and regular polyhedrons (regular tetrahedron, cube, regular octahedron, regular icosahedron, or regular dodecahedron) into account. It shows that the conclusions made by the proposed technique are more general and no longer limited by different sampling schemes. By the conditional equation of D-optimal nested helical configuration, the relevance issues of GNSS constellation optimization are solved and some examples are performed by GPS constellation to verify the validation of the newly proposed optimization technique. The proposed technique is potentially helpful in maintenance and quadratic optimization of single GNSS of which the orbital inclination and the orbital altitude change under the precession, as well as in optimally nesting GNSSs to perform global homogeneous coverage of the Earth.

Reconfigurable antenna pattern verification

NASA Technical Reports Server (NTRS)

Drexler, Jerome P. (Inventor); Becker, Robert C. (Inventor); Meyers, David W. (Inventor); Muldoon, Kelly P. (Inventor)

2013-01-01

A method of verifying programmable antenna configurations is disclosed. The method comprises selecting a desired antenna configuration from a plurality of antenna configuration patterns, with the selected antenna configuration forming at least one reconfigurable antenna from reconfigurable antenna array elements. The method validates the formation of the selected antenna configuration to determine antenna performance of the at least one reconfigurable antenna.

Minimum Energy of Multicomponent Distillation Systems Using Minimum Additional Heat and Mass Integration Sections

DOE PAGES

Jiang, Zheyu; Ramapriya, Gautham Madenoor; Tawarmalani, Mohit; ...

2018-04-20

Heat and mass integration to consolidate distillation columns in a multicomponent distillation configuration can lead to a number of new energy efficient and cost effective configurations. In this paper, we identify a powerful and simple-to-use fact about heat and mass integration. The newly developed heat and mass integrated configurations, which we call as HMP configurations, involve first introducing thermal couplings to all intermediate transfer streams, followed by consolidating columns associated with a lighter pure product reboiler and a heavier pure product condenser. A systematic method of enumerating all HMP configurations is introduced. We compare the energy savings of HMP configurationsmore » with the well-known fully thermally coupled (FTC) configurations. We demonstrate that HMP configurations can have very similar and sometimes even the same minimum total vapor duty requirement as the FTC configuration, while using far less number of column sections, intermediate transfer streams, and thermal couplings than the FTC configurations.« less

Minimum Energy of Multicomponent Distillation Systems Using Minimum Additional Heat and Mass Integration Sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Zheyu; Ramapriya, Gautham Madenoor; Tawarmalani, Mohit

Heat and mass integration to consolidate distillation columns in a multicomponent distillation configuration can lead to a number of new energy efficient and cost effective configurations. In this paper, we identify a powerful and simple-to-use fact about heat and mass integration. The newly developed heat and mass integrated configurations, which we call as HMP configurations, involve first introducing thermal couplings to all intermediate transfer streams, followed by consolidating columns associated with a lighter pure product reboiler and a heavier pure product condenser. A systematic method of enumerating all HMP configurations is introduced. We compare the energy savings of HMP configurationsmore » with the well-known fully thermally coupled (FTC) configurations. We demonstrate that HMP configurations can have very similar and sometimes even the same minimum total vapor duty requirement as the FTC configuration, while using far less number of column sections, intermediate transfer streams, and thermal couplings than the FTC configurations.« less

Virtual Network Configuration Management System for Data Center Operations and Management

NASA Astrophysics Data System (ADS)

Okita, Hideki; Yoshizawa, Masahiro; Uehara, Keitaro; Mizuno, Kazuhiko; Tarui, Toshiaki; Naono, Ken

Virtualization technologies are widely deployed in data centers to improve system utilization. However, they increase the workload for operators, who have to manage the structure of virtual networks in data centers. A virtual-network management system which automates the integration of the configurations of the virtual networks is provided. The proposed system collects the configurations from server virtualization platforms and VLAN-supported switches, and integrates these configurations according to a newly developed XML-based management information model for virtual-network configurations. Preliminary evaluations show that the proposed system helps operators by reducing the time to acquire the configurations from devices and correct the inconsistency of operators' configuration management database by about 40 percent. Further, they also show that the proposed system has excellent scalability; the system takes less than 20 minutes to acquire the virtual-network configurations from a large scale network that includes 300 virtual machines. These results imply that the proposed system is effective for improving the configuration management process for virtual networks in data centers.

Aerodynamic Comparison of Hyper-Elliptic Cambered Span (HECS) Wings with Conventional Configurations

NASA Technical Reports Server (NTRS)

Lazos, Barry S.; Visser, Kenneth D.

2006-01-01

An experimental study was conducted to examine the aerodynamic and flow field characteristics of hyper-elliptic cambered span (HECS) wings and compare results with more conventional configurations used for induced drag reduction. Previous preliminary studies, indicating improved L/D characteristics when compared to an elliptical planform prompted this more detailed experimental investigation. Balance data were acquired on a series of swept and un-swept HECS wings, a baseline elliptic planform, two winglet designs and a raked tip configuration. Seven-hole probe wake surveys were also conducted downstream of a number of the configurations. Wind tunnel results indicated aerodynamic performance levels of all but one of the HECS wings exceeded that of the other configurations. The flow field data surveys indicate the HECS configurations displaced the tip vortex farther outboard of the wing than the Baseline configuration. Minimum drag was observed on the raked tip configuration and it was noted that the winglet wake lacked the cohesive vortex structure present in the wakes of the other configurations.

A novel optimal configuration form redundant MEMS inertial sensors based on the orthogonal rotation method.

PubMed

Cheng, Jianhua; Dong, Jinlu; Landry, Rene; Chen, Daidai

2014-07-29

In order to improve the accuracy and reliability of micro-electro mechanical systems (MEMS) navigation systems, an orthogonal rotation method-based nine-gyro redundant MEMS configuration is presented. By analyzing the accuracy and reliability characteristics of an inertial navigation system (INS), criteria for redundant configuration design are introduced. Then the orthogonal rotation configuration is formed through a two-rotation of a set of orthogonal inertial sensors around a space vector. A feasible installation method is given for the real engineering realization of this proposed configuration. The performances of the novel configuration and another six configurations are comprehensively compared and analyzed. Simulation and experimentation are also conducted, and the results show that the orthogonal rotation configuration has the best reliability, accuracy and fault detection and isolation (FDI) performance when the number of gyros is nine.

Apparatus configured for identification of a material and method of identifying a material

DOEpatents

Slater, John M.; Crawford, Thomas M.; Frickey, Dean A.

2001-01-01

The present invention relates to an apparatus configured for identification of a material and method of identifying a material. One embodiment of the present invention provides an apparatus configured for identification of a material including a first region configured to receive a first sample and output a first spectrum responsive to exposure of the first sample to radiation; a signal generator configured to provide a reference signal having a reference frequency and a modulation signal having a modulation frequency; a modulator configured to selectively modulate the first spectrum using the modulation signal according to the reference frequency; a second region configured to receive a second sample and output a second spectrum responsive to exposure of the second sample to the first spectrum; and a detector configured to detect the second spectrum.

Inverse problem of central configurations in the collinear 5-body problem

NASA Astrophysics Data System (ADS)

Davis, Candice; Geyer, Scott; Johnson, William; Xie, Zhifu

2018-05-01

In this paper, we study the inverse problem of collinear central configurations of a 5-body problem: given a collinear configuration q = (-s - 1, -1, r, 1, t + 1) of 5 bodies, does there exist positive masses to make the configuration central? Here we proved the following results: If r = 0 and s = t > 0, there always exist positive masses to make the configuration central and the masses are symmetrical such that m1 = m5, m2 = m4, and m3 is an arbitrary parameter. Specially if r = 0 and s =t =s ¯ , the configuration q =(-s ¯ -1 ,-1,0,1 ,s ¯ +1 ) is always a central configuration for any positive masses 0 < m2 = m4 < ∞ when m1 = m5 are fixed at particular values, which only depend on s ¯ and m3. s ¯ is the unique real root of a fifth order polynomial and numerically s ¯ ≈1.396 812 289 . If r = 0 and s ≠ t > 0, there also always exist positive masses to make the configuration central. For any r ∈ (0, 1) [or r ∈ (-1, 0)], there exist a set E14 (or E25) in the first quadrant of st-plane where every configuration is a central configuration for some positive masses. However, no configuration in the complement of E14 (or E25) is a central configuration for any positive masses.

Configuration development study of the X-24C hypersonic research airplane, phase 2

NASA Technical Reports Server (NTRS)

Combs, H. G.

1977-01-01

The X-24C Hypersonic Research Vehicle, configured with a heat-sink structure, a launch mass limit of 31.75 Mg and powered by an LR-105 Rocket Engine plus 12 LR-101 Sustainer Engines, was found to be the more cost effective of the candidate configurations. In addition, the configuration provides the maximum off design growth potential capability and subsequently, was selected as the candidate configuration to be subjected to the design refinement study in the remaining segment of the study. Selection of this configuration was based on the analytical study conducted on the performance growth capabilities of the candidate configurations selected from the Phase 1 Study.

A multidimensional framework for assessing patient room configurations.

PubMed

Pati, Debajyoti; Harvey, Thomas E; Reyers, Evelyn; Evans, Jennie; Waggener, Laurie; Serrano, Marjorie; Saucier, Rachel; Nagle, Tina

2009-01-01

A framework for multidimensional assessment of patient room configurations is presented. Twenty-three issues are considered and categorized under six domains of assessment: (1) patient safety, (2) staff efficiency, (3) circulation, (4) infection control, (5) patient considerations, and (6) family amenities. Use of the framework to rank issues by importance and assess six alternative patient room configurations by a diverse group of experts in a symposium is described. One of the key questions posed during inpatient room design is the location of the bathroom. What issues are affected by the variations in room configuration that arise from bathroom location? A complete articulation of the issues that potentially are affected by room configuration is not available in the literature. The list of issues was developed by the authors in preparation for a symposium. The symposium was organized in May 2007 and attended by 14 experts from four institutions. Six alternative room configurations were used. Variations in the configurations included: (1) three same-handed and three mirror-image rooms; (2) three outboard, two inboard, and one nested bathroom; and (3) three rooms with footwall bathrooms and three with headwall bathrooms. In a four-step process, the attendees ranked the issues, discussed them in detail, rated each room configuration against each issue on a seven-point suitability scale, and conducted an overall assessment of the six configurations. Based on the ratings and rankings provided by the symposium participants, outboard bathroom locations were found to be most suitable, followed by nested and inboard configurations. Furthermore, configurations with patient bathrooms located on the footwall were rated as more suitable than headwall locations. The authors recommend, however, that the framework be used to determine a suitable room configuration in a specific context, rather than to identify configurations that will perform well universally.

Condenser assembly system for an appliance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Litch, Andrew David

2017-10-17

An appliance includes a compact condenser assembly formed with at least two separately and independently produced wire on tube condensers. Each of the at least two wire on tube condensers has a condenser inlet and a condenser outlet. The at least two wire on tube condensers are at least substantially locked and positioned in a matingly engaged configuration forming a compact condenser assembly. The at least two wire on tube condensers are configured to be operationally connected in at least one of a parallel configuration, a series configuration, a selectable configuration, and a bypass configuration.

Grinding assembly, grinding apparatus, weld joint defect repair system, and methods

DOEpatents

Larsen, Eric D.; Watkins, Arthur D.; Bitsoi, Rodney J.; Pace, David P.

2005-09-27

A grinding assembly for grinding a weld joint of a workpiece includes a grinder apparatus, a grinder apparatus includes a grinding wheel configured to grind the weld joint, a member configured to receive the grinding wheel, the member being configured to be removably attached to the grinder apparatus, and a sensor assembly configured to detect a contact between the grinding wheel and the workpiece. The grinding assembly also includes a processing circuitry in communication with the grinder apparatus and configured to control operations of the grinder apparatus, the processing circuitry configured to receive weld defect information of the weld joint from an inspection assembly to create a contour grinding profile to grind the weld joint in a predetermined shape based on the received weld defect information, and a manipulator having an end configured to carry the grinder apparatus, the manipulator further configured to operate in multiple dimensions.

FPGA-based protein sequence alignment : A review

NASA Astrophysics Data System (ADS)

Isa, Mohd. Nazrin Md.; Muhsen, Ku Noor Dhaniah Ku; Saiful Nurdin, Dayana; Ahmad, Muhammad Imran; Anuar Zainol Murad, Sohiful; Nizam Mohyar, Shaiful; Harun, Azizi; Hussin, Razaidi

2017-11-01

Sequence alignment have been optimized using several techniques in order to accelerate the computation time to obtain the optimal score by implementing DP-based algorithm into hardware such as FPGA-based platform. During hardware implementation, there will be performance challenges such as the frequent memory access and highly data dependent in computation process. Therefore, investigation in processing element (PE) configuration where involves more on memory access in load or access the data (substitution matrix, query sequence character) and the PE configuration time will be the main focus in this paper. There are various approaches to enhance the PE configuration performance that have been done in previous works such as by using serial configuration chain and parallel configuration chain i.e. the configuration data will be loaded into each PEs sequentially and simultaneously respectively. Some researchers have proven that the performance using parallel configuration chain has optimized both the configuration time and area.

Transporting particulate material

DOEpatents

Aldred, Derek Leslie [North Hollywood, CA; Rader, Jeffrey A [North Hollywood, CA; Saunders, Timothy W [North Hollywood, CA

2011-08-30

A material transporting system comprises a material transporting apparatus (100) including a material transporting apparatus hopper structure (200, 202), which comprises at least one rotary transporting apparatus; a stationary hub structure (900) constraining and assisting the at least one rotary transporting apparatus; an outlet duct configuration (700) configured to permit material to exit therefrom and comprising at least one diverging portion (702, 702'); an outlet abutment configuration (800) configured to direct material to the outlet duct configuration; an outlet valve assembly from the material transporting system venting the material transporting system; and a moving wall configuration in the material transporting apparatus capable of assisting the material transporting apparatus in transporting material in the material transporting system. Material can be moved from the material transporting apparatus hopper structure to the outlet duct configuration through the at least one rotary transporting apparatus, the outlet abutment configuration, and the outlet valve assembly.

KC-135 winglet flight results

NASA Technical Reports Server (NTRS)

Montoya, L. C.

1981-01-01

Three KC-135 winglet configurations were flight tested for cant/incidence angles of 15 deg/-4 deg, 15 deg/-2 deg, and 0 deg/-4 deg, as well as the basic wing. The flight results for the 15 deg/-4 deg and basic wing configurations confirm the wind tunnel predicted 7% incremental decrease in total drag at cruise conditions. The 15 deg/-4 configuration flight measured wing and winglet pressure distributions, loads, stability and control, flutter, and buffet also correlate well with predicted values. The only unexpected flight results as compared with analytical predictions is a flutter speed decrease for the 0 deg/-4 deg configuration. The 15 deg/-2 deg configuration results show essentially the same incremental drag reduction as the 15 deg/-4 deg configuration; however, the flight loads are approximately 30% higher for the 15 deg/-2 deg configuration. The drag data for the 0 deg/-4 deg configuration show only a flight drag reduction.

FLITECAM: delivery and performance on SOFIA

NASA Astrophysics Data System (ADS)

Logsdon, Sarah E.; McLean, Ian S.; Becklin, E. E.; Hamilton, Ryan T.; Vacca, William D.; Waddell, Patrick

2016-08-01

We present a performance report for FLITECAM, a 1-5 μm imager and spectrograph, upon its acceptance and delivery to SOFIA (Stratospheric Observatory for Infrared Astronomy). FLITECAM has two observing configurations: solo configuration and "FLIPO" configuration, which is the co-mounting of FLITECAM with the optical instrument HIPO (PI E. Dunham, Lowell Observatory). FLITECAM was commissioned in the FLIPO configuration in 2014 and flew in the solo configuration for the first time in Fall 2015, shortly after its official delivery to SOFIA. Here we quantify FLITECAM's imaging and spectral performance in both configurations and discuss the science capabilities of each configuration, with examples from in-flight commissioning and early science data. The solo configuration (which comprises fewer warm optics) has better sensitivity at longer wavelengths. We also discuss the causes of excess background detected in the in-flight FLITECAM images at low elevations and describe the current plan to mitigate the largest contributor to this excess background.

Post-recombination early Universe cooling by translation-internal inter-conversion: The role of minor constituents.

PubMed

McCaffery, Anthony J

2015-09-14

Little is known of the mechanism by which H and H2, the principal constituents of the post-re-combination early Universe, cooled sufficiently to permit cluster formation, nucleosynthesis, and, eventually, the formation of structured objects. Radiative decay primarily cools the internal modes of H2, as Δj = - 2 jumps accompany quadrupolar emission. This, however, would be a self-limiting mechanism. In this work, a translational energy cooling mechanism based on collision-induced, translation-to-internal mode conversion, is extended, following an earlier study [A. J. McCaffery and R. J. Marsh, J. Chem. Phys. 139, 234310 (2013)] of ensembles comprising H2 in a H atom bath gas. Here, the possible influence of minor species, such as HD, on this cooling mechanism is investigated. Results suggest that the influence of HD is small but not insignificant. Conversion is very rapid and an overall translation-to-internal energy conversion efficiency of some 5% could be expected. This finding may be of use in the further development of models of this complex phase of early Universe evolution. An unexpected finding in this study was that H2 + HD ensembles are capable of very rapid translation-to-internal conversion with efficiencies of >40% and relaxation rates that appear to be relatively slow. This may have potential as an energy storage mechanism.

Post-recombination early Universe cooling by translation–internal inter-conversion: The role of minor constituents

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCaffery, Anthony J., E-mail: A.J.McCaffery@sussex.ac.uk

Little is known of the mechanism by which H and H{sub 2}, the principal constituents of the post-re-combination early Universe, cooled sufficiently to permit cluster formation, nucleosynthesis, and, eventually, the formation of structured objects. Radiative decay primarily cools the internal modes of H{sub 2}, as Δj = − 2 jumps accompany quadrupolar emission. This, however, would be a self-limiting mechanism. In this work, a translational energy cooling mechanism based on collision-induced, translation-to-internal mode conversion, is extended, following an earlier study [A. J. McCaffery and R. J. Marsh, J. Chem. Phys. 139, 234310 (2013)] of ensembles comprising H{sub 2} in amore » H atom bath gas. Here, the possible influence of minor species, such as HD, on this cooling mechanism is investigated. Results suggest that the influence of HD is small but not insignificant. Conversion is very rapid and an overall translation-to-internal energy conversion efficiency of some 5% could be expected. This finding may be of use in the further development of models of this complex phase of early Universe evolution. An unexpected finding in this study was that H{sub 2} + HD ensembles are capable of very rapid translation-to-internal conversion with efficiencies of >40% and relaxation rates that appear to be relatively slow. This may have potential as an energy storage mechanism.« less

Collective excitation frequencies and stationary states of trapped dipolar Bose-Einstein condensates in the Thomas-Fermi regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bijnen, R. M. W. van; Department of Physics and Astronomy, McMaster University, Hamilton, Ontario L8S 4M1; Parker, N. G.

We present a general method for obtaining the exact static solutions and collective excitation frequencies of a trapped Bose-Einstein condensate (BEC) with dipolar atomic interactions in the Thomas-Fermi regime. The method incorporates analytic expressions for the dipolar potential of an arbitrary polynomial density profile, thereby reducing the problem of handling nonlocal dipolar interactions to the solution of algebraic equations. We comprehensively map out the static solutions and excitation modes, including non-cylindrically-symmetric traps, and also the case of negative scattering length where dipolar interactions stabilize an otherwise unstable condensate. The dynamical stability of the excitation modes gives insight into the onsetmore » of collapse of a dipolar BEC. We find that global collapse is consistently mediated by an anisotropic quadrupolar collective mode, although there are two trapping regimes in which the BEC is stable against quadrupole fluctuations even as the ratio of the dipolar to s-wave interactions becomes infinite. Motivated by the possibility of a fragmented condensate in a dipolar Bose gas due to the partially attractive interactions, we pay special attention to the scissors modes, which can provide a signature of superfluidity, and identify a long-range restoring force which is peculiar to dipolar systems. As part of the supporting material for this paper we provide the computer program used to make the calculations, including a graphical user interface.« less

Singularities in the lineshape of a second-order perturbed quadrupolar nucleus. The magic-angle spinning case.

PubMed

Field, Timothy R; Bain, Alex D

2014-01-01

For a nucleus with a half-integral spin and a strong quadrupole coupling, the central transition (from magnetic quantum number -1/2 to +1/2) in the spectrum shows a characteristic lineshape. By strong coupling, we mean an interaction strong enough so that second-order perturbation theory is needed, yet still sufficient. The spectrum of a static sample is well-known and the magic-angle-spinning (MAS spectrum) is different, but still can be calculated. The important features of both these spectra are singularities and steps in the lineshape, since these are the main tools in fitting the calculated spectrum to experimental data. A useful tool in this investigation is a plot of the frequency as a function of orientation over the surface of the unit sphere. These plots have maxima, minima and saddle points, and these correspond to the features of the spectrum. We used these plots to define both the positions and derive new formulae for the heights of the features and we now extend this to the magic-angle spinning case. For the first time, we identify the orientations corresponding to the features of the MAS spectra and derive formulae for the heights. We then compare the static and MAS cases and show the relationships between the features in the two spectra. Copyright © 2014 Elsevier Inc. All rights reserved.

FROM ORDER TO CHAOS IN EARTH SATELLITE ORBITS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gkolias, Ioannis; Gachet, Fabien; Daquin, Jérôme

We consider Earth satellite orbits in the range of semimajor axes where the perturbing effects of Earth’s oblateness and lunisolar gravity are of comparable order. This range covers the medium-Earth orbits (MEO) of the Global Navigation Satellite Systems and the geosynchronous orbits (GEO) of the communication satellites. We recall a secular and quadrupolar model, based on the Milankovitch vector formulation of perturbation theory, which governs the long-term orbital evolution subject to the predominant gravitational interactions. We study the global dynamics of this two-and-a-half degrees-of-freedom Hamiltonian system by means of the fast Lyapunov indicator (FLI), used in a statistical sense. Specifically,more » we characterize the degree of chaoticity of the action space using angle-averaged normalized FLI maps, thereby overcoming the angle dependencies of the conventional stability maps. Emphasis is placed upon the phase-space structures near secular resonances, which are of primary importance to the space debris community. We confirm and quantify the transition from order to chaos in MEO, stemming from the critical inclinations and find that highly inclined GEO orbits are particularly unstable. Despite their reputed normality, Earth satellite orbits can possess an extraordinarily rich spectrum of dynamical behaviors and, from a mathematical perspective, have all the complications that make them very interesting candidates for testing the modern tools of chaos theory.« less

Multinuclear NMR of CaSiO(3) glass: simulation from first-principles.

PubMed

Pedone, Alfonso; Charpentier, Thibault; Menziani, Maria Cristina

2010-06-21

An integrated computational method which couples classical molecular dynamics simulations with density functional theory calculations is used to simulate the solid-state NMR spectra of amorphous CaSiO(3). Two CaSiO(3) glass models are obtained by shell-model molecular dynamics simulations, successively relaxed at the GGA-PBE level of theory. The calculation of the NMR parameters (chemical shielding and quadrupolar parameters), which are then used to simulate solid-state 1D and 2D-NMR spectra of silicon-29, oxygen-17 and calcium-43, is achieved by the gauge including projector augmented-wave (GIPAW) and the projector augmented-wave (PAW) methods. It is shown that the limitations due to the finite size of the MD models can be overcome using a Kernel Estimation Density (KDE) approach to simulate the spectra since it better accounts for the disorder effects on the NMR parameter distribution. KDE allows reconstructing a smoothed NMR parameter distribution from the MD/GIPAW data. Simulated NMR spectra calculated with the present approach are found to be in excellent agreement with the experimental data. This further validates the CaSiO(3) structural model obtained by MD simulations allowing the inference of relationships between structural data and NMR response. The methods used to simulate 1D and 2D-NMR spectra from MD GIPAW data have been integrated in a package (called fpNMR) freely available on request.

ON THE 2012 OCTOBER 23 CIRCULAR RIBBON FLARE: EMISSION FEATURES AND MAGNETIC TOPOLOGY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Kai; Guo, Yang; Ding, M. D., E-mail: guoyang@nju.edu.cn, E-mail: dmd@nju.edu.cn

2015-06-20

Circular ribbon flares are usually related to spine-fan type magnetic topology containing null points. In this paper, we investigate an X-class circular ribbon flare on 2012 October 23, using the multiwavelength data from the Solar Dynamics Observatory, Hinode, and RHESSI. In Ca ii H emission, the flare showed three ribbons with two highly elongated ones inside and outside a quasi-circular one, respectively. A hot channel was displayed in the extreme-ultraviolet emissions that infers the existence of a magnetic flux rope. Two hard X-ray (HXR) sources in the 12–25 keV energy band were located at the footpoints of this hot channel. Using amore » nonlinear force-free magnetic field extrapolation, we identify three topological structures: (1) a three-dimensional null point, (2) a flux rope below the fan of the null point, and (3) a large-scale quasi-separatrix layer (QSL) induced by the quadrupolar-like magnetic field of the active region. We find that the null point is embedded within the large-scale QSL. In our case, all three identified topological structures must be considered to explain all the emission features associated with the observed flare. Besides, the HXR sources are regarded as the consequence of the reconnection within or near the border of the flux rope.« less

Optically induced circular and axial birefringences in achiral fluids: an ab initio study of the optical Faraday effect

NASA Astrophysics Data System (ADS)

Baranowska, Angelika; Rizzo, Antonio; Coriani, Sonia

2006-07-01

A computational analysis of the effects (intensity-dependent change in the refractive index and the optical Faraday effect, OFE) induced in an achiral fluid by circularly polarized, linearly polarized or unpolarized light is presented. The connection between the molecular parameters appearing in the expression of the observable, as derived by Woźniak in the 1990s, and the appropriate linear and cubic frequency dependent response functions is made for the general case of both chiral and non-chiral fluid. The parameters which are non-vanishing in the case of achiral systems are then computed employing a coupled cluster singles and doubles wave function model and a wide choice of correlation consistent basis sets, for a set of reference systems, including a rare gas (neon), a non-dipolar (N2) and a dipolar (CO) molecule. Contributions due to magnetic and quadrupolar interactions between the fields and the gases are neglected, since they are in principle of much less importance than the purely electric dipolar interactions. Nevertheless a rough estimate of their size is given. The aim of the study is to assess the detectability of OFE. To this end, the ab initio results are compared with those obtained in this work for the closely related optical Kerr effect (OKE) and with those yielded by the classical Faraday effect.

Solid-state EPR strategies for the structural characterization of paramagnetic NO adducts of frustrated Lewis pairs (FLPs)

NASA Astrophysics Data System (ADS)

de Oliveira, Marcos; Wiegand, Thomas; Elmer, Lisa-Maria; Sajid, Muhammad; Kehr, Gerald; Erker, Gerhard; Magon, Claudio José; Eckert, Hellmut

2015-03-01

Anisotropic interactions present in three new nitroxide radicals prepared by N,N addition of NO to various borane-phosphane frustrated Lewis pairs (FLPs) have been characterized by continuous-wave (cw) and pulsed X-band EPR spectroscopies in solid FLP-hydroxylamine matrices at 100 K. Anisotropic g-tensor values and 11B, 14N, and 31P hyperfine coupling tensor components have been extracted from continuous-wave lineshape analyses, electron spin echo envelope modulation (ESEEM), and hyperfine sublevel correlation spectroscopy (HYSCORE) experiments with the help of computer simulation techniques. Suitable fitting constraints are developed on the basis of density functional theory (DFT) calculations. These calculations reveal that different from the situation in standard nitroxide radicals (TEMPO), the g-tensors are non-coincident with any of the nuclear hyperfine interaction tensors. The determination of these interaction parameters turns out to be successful, as the cw- and pulse EPR experiments are highly complementary in informational content. While the continuous-wave lineshape is largely influenced by the anisotropic hyperfine coupling to 14N and 31P, the ESEEM and HYSCORE spectra contain important information about the 11B hyperfine coupling and nuclear electric quadrupolar interaction. The set of cw- and pulsed EPR experiments, with fitting constraints developed by DFT calculations, defines an efficient strategy for the structural analysis of paramagnetic FLP adducts.

Solid-state EPR strategies for the structural characterization of paramagnetic NO adducts of frustrated Lewis pairs (FLPs)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oliveira, Marcos de; Magon, Claudio José; Wiegand, Thomas

2015-03-28

Anisotropic interactions present in three new nitroxide radicals prepared by N,N addition of NO to various borane-phosphane frustrated Lewis pairs (FLPs) have been characterized by continuous-wave (cw) and pulsed X-band EPR spectroscopies in solid FLP-hydroxylamine matrices at 100 K. Anisotropic g-tensor values and {sup 11}B, {sup 14}N, and {sup 31}P hyperfine coupling tensor components have been extracted from continuous-wave lineshape analyses, electron spin echo envelope modulation (ESEEM), and hyperfine sublevel correlation spectroscopy (HYSCORE) experiments with the help of computer simulation techniques. Suitable fitting constraints are developed on the basis of density functional theory (DFT) calculations. These calculations reveal that differentmore » from the situation in standard nitroxide radicals (TEMPO), the g-tensors are non-coincident with any of the nuclear hyperfine interaction tensors. The determination of these interaction parameters turns out to be successful, as the cw- and pulse EPR experiments are highly complementary in informational content. While the continuous-wave lineshape is largely influenced by the anisotropic hyperfine coupling to {sup 14}N and {sup 31}P, the ESEEM and HYSCORE spectra contain important information about the {sup 11}B hyperfine coupling and nuclear electric quadrupolar interaction. The set of cw- and pulsed EPR experiments, with fitting constraints developed by DFT calculations, defines an efficient strategy for the structural analysis of paramagnetic FLP adducts.« less

Studying Dynamics by Magic-Angle Spinning Solid-State NMR Spectroscopy: Principles and Applications to Biomolecules

PubMed Central

Schanda, Paul; Ernst, Matthias

2016-01-01

Magic-angle spinning solid-state NMR spectroscopy is an important technique to study molecular structure, dynamics and interactions, and is rapidly gaining importance in biomolecular sciences. Here we provide an overview of experimental approaches to study molecular dynamics by MAS solid-state NMR, with an emphasis on the underlying theoretical concepts and differences of MAS solid-state NMR compared to solution-state NMR. The theoretical foundations of nuclear spin relaxation are revisited, focusing on the particularities of spin relaxation in solid samples under magic-angle spinning. We discuss the range of validity of Redfield theory, as well as the inherent multi-exponential behavior of relaxation in solids. Experimental challenges for measuring relaxation parameters in MAS solid-state NMR and a few recently proposed relaxation approaches are discussed, which provide information about time scales and amplitudes of motions ranging from picoseconds to milliseconds. We also discuss the theoretical basis and experimental measurements of anisotropic interactions (chemical-shift anisotropies, dipolar and quadrupolar couplings), which give direct information about the amplitude of motions. The potential of combining relaxation data with such measurements of dynamically-averaged anisotropic interactions is discussed. Although the focus of this review is on the theoretical foundations of dynamics studies rather than their application, we close by discussing a small number of recent dynamics studies, where the dynamic properties of proteins in crystals are compared to those in solution. PMID:27110043

Radiation drag in the field of a non-spherical source

NASA Astrophysics Data System (ADS)

Bini, D.; Geralico, A.; Passamonti, A.

2015-01-01

The motion of a test particle in the gravitational field of a non-spherical source endowed with both mass and mass quadrupole moment is investigated when a test radiation field is also present. The background is described by the Erez-Rosen solution, which is a static space-time belonging to the Weyl class of solutions to the vacuum Einstein's field equations, and reduces to the familiar Schwarzschild solution when the quadrupole parameter vanishes. The radiation flux has a fixed but arbitrary (non-zero) angular momentum. The interaction with the radiation field is assumed to be Thomson-like, i.e. the particles absorb and re-emit radiation, thus suffering for a friction-like drag force. Such an additional force is responsible for the Poynting-Robertson effect, which is well established in the framework of Newtonian gravity and has been recently extended to the general theory of relativity. The balance between gravitational attraction, centrifugal force and radiation drag leads to the occurrence of equilibrium circular orbits which are attractors for the surrounding matter for every fixed value of the interaction strength. The presence of the quadrupolar structure of the source introduces a further degree of freedom: there exists a whole family of equilibrium orbits parametrized by the quadrupole parameter, generalizing previous works. This scenario is expected to play a role in the context of accretion matter around compact objects.

NMR parameters in column 13 metal fluoride compounds (AlF₃, GaF₃, InF₃ and TlF) from first principle calculations.

PubMed

Sadoc, Aymeric; Biswal, Mamata; Body, Monique; Legein, Christophe; Boucher, Florent; Massiot, Dominique; Fayon, Franck

2014-01-01

The relationship between the experimental (19)F isotropic chemical shift and the (19)F isotropic shielding calculated using the gauge including projector augmented-wave (GIPAW) method with PBE functional is investigated in the case of GaF3, InF3, TlF and several AlF3 polymorphs. It is shown that the linear correlation between experimental and DFT-PBE calculated values previously established on alkali, alkaline earth and rare earth of column 3 basic fluorides (Sadoc et al., Phys. Chem. Chem. Phys. 13 (2011) 18539-18550) remains valid in the case of column 13 metal fluorides, indicating that it allows predicting (19)F solid state NMR spectra of a broad range of crystalline fluorides with a relatively good accuracy. For the isostructural α-AlF3, GaF3 and InF3 phases, PBE-DFT geometry optimization leads to noticeably overbended M-F-M bond angles and underestimated (27)Al, (71)Ga and (115)In calculated quadrupolar coupling constants. For the studied compounds, whose structures are built of corner shared MF6 octahedra, it is shown that the electric field gradient (EFG) tensor at the cationic sites is not related to distortions of the octahedral units, in contrast to what previously observed for isolated AlF6 octahedra in fluoroaluminates. Copyright © 2014 Elsevier Inc. All rights reserved.

Insight into magnesium coordination environments in benzoate and salicylate complexes through 25Mg solid-state NMR spectroscopy.

PubMed

Burgess, Kevin M N; Xu, Yang; Leclerc, Matthew C; Bryce, David L

2013-08-01

We report on the (25)Mg solid-state nuclear magnetic resonance (NMR) characterization of a series of magnesium complexes featuring Mg(2+) ions in organic coordination environments. Six compounds have been synthesized with benzoate and salicylate ligands, which are typically used as linkers in metal organic frameworks (MOFs). The use of ultrahigh-field solid-state NMR has revealed a relatively large range of values for the (25)Mg quadrupolar coupling constant, CQ((25)Mg), in these compounds. In contrast to some previously studied inorganic Mg(2+) complexes, the values of CQ((25)Mg) in organic Mg(2+) complexes are well rationalized by the degree of octahedral strain of the "MgO6" coordination polyhedra. (13)C and (25)Mg isotropic chemical shifts were also found to be sensitive to the binding mode of the carboxylate ligands. The experimental findings are corroborated by gauge-including projector-augmented-wave (GIPAW) density functional theory (DFT) computations, and these have allowed for an interpretation of the experimentally observed trend in the CQ((25)Mg) values and for the visualization of the EFG tensor principal components with respect to the molecular structure. These new insights may prove to be valuable for the understanding and interpretation of (25)Mg NMR data for Mg(2+) ions in organic binding environments such as those found in MOFs and protein-divalent metal binding sites.

Strain-rate and temperature-driven transition in the shear transformation zone for two-dimensional amorphous solids

NASA Astrophysics Data System (ADS)

Cao, Penghui; Park, Harold S.; Lin, Xi

2013-10-01

We couple the recently developed self-learning metabasin escape algorithm, which enables efficient exploration of the potential energy surface (PES), with shear deformation to elucidate strain-rate and temperature effects on the shear transformation zone (STZ) characteristics in two-dimensional amorphous solids. In doing so, we report a transition in the STZ characteristics that can be obtained through either increasing the temperature or decreasing the strain rate. The transition separates regions having two distinct STZ characteristics. Specifically, at high temperatures and high strain rates, we show that the STZs have characteristics identical to those that emerge from purely strain-driven, athermal quasistatic atomistic calculations. At lower temperatures and experimentally relevant strain rates, we use the newly coupled PES + shear deformation method to show that the STZs have characteristics identical to those that emerge from a purely thermally activated state. The specific changes in STZ characteristics that occur in moving from the strain-driven to thermally activated STZ regime include a 33% increase in STZ size, faster spatial decay of the displacement field, a change in the deformation mechanism inside the STZ from shear to tension, a reduction in the stress needed to nucleate the first STZ, and finally a notable loss in characteristic quadrupolar symmetry of the surrounding elastic matrix that has previously been seen in athermal, quasistatic shear studies of STZs.

Flexoelectricity as a bulk property

NASA Astrophysics Data System (ADS)

Resta, Raffaele

2010-03-01

Piezoelectric composites can be created using nonpiezoelectric materials, by exploiting flexoelectricity. This is by definition the linear response of polarization to strain gradient, and is symmetry-allowed even in elemental crystals. However, the basic issue whether flexoelectricity is a bulk or a surface material property is open. We mention that the analogous issue about piezoelectricity is nontrivial either.^1 In this first attempt towards a full theory of flexoelectricity we prove that, for a simple class of strain and strain gradients, flexoelectricity is indeed a bulk effect. The key ingredients of the present theory are the long-range perturbations linearly induced by a unit displacement of a single nucleus in an otherwise perfect crystal: to leading order these are dipolar, quadrupolar, and octupolar. The corresponding tensors have rank 2, 3, and 4, respectively. Whereas dipoles and quadrupoles provide the piezoelectric response,^1 we show that dipoles and octupoles provide the flexoelectric response in nonpiezoelectric crystals. We conjecture that the full dipole and octupole tensors provide the flexoelectric response to the most general form of strain gradient. Our problem has a close relationship to the one of the ``absolute'' deformation potentials, which is based on a similar kind of dipolar and octupolar tensors.^2 ^1 R. M. Martin, Phys. Rev. B 5, 1607 (1972). ^2 R. Resta, L. Colombo and S. Baroni, Phys. Rev. B 41, 12538 (1990).

Effect of the magnetic field on the supramolecular structure of chiral smectic C phases: (2)H NMR studies.

PubMed

Domenici, Valentina; Marini, Alberto; Veracini, Carlo Alberto; Zhang, Jing; Dong, Ronald Y

2007-12-21

We present a theoretical and experimental (2)H NMR study of the effect of external magnetic fields on the supramolecular organization of chiral smectic liquid-crystalline mesophases, such as SmC* and re-entrant SmC*. Three experimental cases in which the supramolecular helical structure of the smectic C* phase is unwound by a magnetic field (H), parallel to the helical axes of this phase, are discussed in detail. Unwinding of the helical structure is described by using a theoretical model based on the Landau-de Gennes theory, which allows us to explain the transition temperatures among the SmA, SmC*, and uSmC* phases. The energy-density behavior in the vicinity of the transitions and the value of the critical magnetic field H(C) for unwinding the helical structure are discussed by applying this model to three ferroelectric smectogens (MBHB, 11EB1M7, ZLL7/*), which are studied by (2)H NMR spectroscopy at different magnetic fields (from 2.4 to 9.4 Tesla). Furthermore, the tilt angle of the three smectogens in the SmC* phase has been directly evaluated, for the first time, by comparing the quadrupolar splittings at different magnetic fields. In one case, (2)H NMR angular measurements are used to obtain the tilt angle in the re-entrant smectic C phase.

Quadrupole-Quadrupole Interactions to Control Plasmon-Induced Transparency

NASA Astrophysics Data System (ADS)

Rana, Goutam; Deshmukh, Prathmesh; Palkhivala, Shalom; Gupta, Abhishek; Duttagupta, S. P.; Prabhu, S. S.; Achanta, VenuGopal; Agarwal, G. S.

2018-06-01

Radiative dipolar resonance with Lorentzian line-shape induces the otherwise dark quadrupolar resonances resulting in electromagnetically induced transparency (EIT). The two interfering excitation pathways of the dipole are earlier shown to result in a Fano line shape with a high figure of merit suitable for sensing. In metamaterials made of metal nanorods or antennas, the plasmonic EIT (PIT) efficiency depends on the overlap of the dark and bright mode spectra as well as the asymmetry resulting from the separation between the monomer (dipole) and dimer (quadrupole) that governs the coupling strength. Increasing asymmetry in these structures leads to the reduction of the figure of merit due to a broadening of the Fano resonance. We demonstrate a PIT system in which the simultaneous excitation of two dipoles result in double PIT. The corresponding two quadrupoles interact and control the quality factor (Q ) of the PIT resonance. We show an antiresonancelike symmetric line shape with nonzero asymmetry factors. The PIT resonance vanishes due to quadrupole-quadrupole coupling. A Q factor of more than 100 at 0.977 THz is observed, which is limited by the experimental resolution of 6 GHz. From polarization-dependent studies we show that the broadening of the Lorentzian resonance is due to scattering-induced excitation of orthogonally oriented dipoles in the monomer and dimer bars in the terahertz regime. The high Q factors in the terahertz frequency region demonstrated here are interesting for sensing application.

On the plasmonic properties of a symmetry-breaking silver nanoring structure

NASA Astrophysics Data System (ADS)

Jiang, Bozhi; Sun, Cheng

2018-07-01

This work reports on a study regarding the plasmonic properties of a symmetry-breaking silver nanoring structure, in the wavelength range of 0.6-4.5 μm. A broken silver ring with a certain angle, as well as a full ring composed of silver and other metallic/dielectric materials, are proposed. The extinction efficiencies of the nanostructure are numerically calculated with several parameters being varied, including the broken angle, the inner and outer radii, and the thickness of the broken ring, as well as the material in the composite full ring. Multiple plasmonic resonances are observed in the extinction efficiency curves, which are attributed to the quadrupolar, octupolar, and hexadecapolar resonance modes that are revealed by the electric field distributions. The results demonstrate that the high-order modes can be altered, by varying the value of the broken angle of the ring. It is also illustrated that the resonance wavelength and the full width at half maximum of certain high-order plasmonic resonance peaks can be tuned in the wavelength range studied, by adjusting the values of the geometrical parameters of the nanoring. The plasmonic characteristics of the symmetry-breaking nanoring structure revealed in this study, provide a great platform for the designs of plasmonic devices utilizing the high-order plasmonic resonances. Besides, it is also proposed a scheme to switch the device between the multi-wavelength and single-wavelength modes.

Enantiodiscrimination of flexible cyclic solutes using NMR spectroscopy in polypeptide chiral mesophases: investigation of cis-decalin and THF.

PubMed

Aroulanda, Christie; Lafon, Olivier; Lesot, Philippe

2009-08-06

The conformational dynamics and orientational behavior of two model cyclic molecules, cis-decalin (cis-dec) and tetrahydrofurane (THF), dissolved in weakly ordering, polypeptidic chiral liquid crystals (CLCs) are theoretically discussed and experimentally investigated using deuterium and carbon-13 NMR spectroscopies. The analysis of enantiomeric and enantiotopic discriminations in these compounds is shown to depend on the rate of conformational exchange regime, slow or fast. The slow exchange regime is illustrated through the case of cis-dec at low temperature (243 K). We show that the deuterium NMR spectra in this regime can be qualitatively and quantitatively interpreted by restricting the conformational pathway of cis-dec to two enantiomeric conformers of C(2)-symmetry. The orientational order parameters of these interconverting enantiomers are calculated by matching the (2)H quadrupolar splittings with calculated conformer structures. The fast exchange regime is investigated through the examples of cis-dec at high temperature (356 K) and THF at room temperature (300 K). The (2)H NMR spectra above the coalescence temperature are analyzed by introducing the concept of "average molecular structure". This fictitious structure allows easily identifying NMR equivalences of solutes dissolved in CLC. However, it cannot be applied to determine consistent orientational order parameters. This study emphasizes that enantiotopic discriminations observed for flexible molecules in the fast exchange regime can be quantitatively interpreted only by considering the orientational order of each conformer.

Dark plasmonic mode based perfect absorption and refractive index sensing.

PubMed

Yang, W H; Zhang, C; Sun, S; Jing, J; Song, Q; Xiao, S

2017-07-06

Dark plasmonic resonances in metallic nanostructures are essential for many potential applications such as refractive index sensing, single molecule detection, nanolasers etc. However, it is difficult to excite the dark modes in optical experiments and thus the practical applications are severely limited. Herein, we demonstrate a simple method to experimentally excite the quadrupolar and higher-order plasmonic modes with normal incident light. By directionally depositing silver films onto the sidewalls of metal-covered one-dimensional grating, we have experimentally observed a series of asymmetrical resonances at the plasmonic ranges of silver gratings. Interestingly, both of the reflection and transmission coefficients of high-order plasmonic modes are reduced to around zero, demonstrating the perfect absorption very well. The corresponding numerical simulations show that these resonances are the well-known dark modes. Different from the conventional dark modes in plasmonic dimers, here the dark modes are the electric oscillations (as standing waves) within the silver sidewalls that are excited by charge accumulation via the bright plasmonic resonance of the top silver strips. In addition to the simple realization of perfect absorption, the dark modes are found to be quite sensitive to the environmental changes. The experimentally measured reflective index sensitivity is around 458 nm per RIU (refractive index unit), which is much higher than the sensitivity of the metal-covered grating without silver sidewalls. This research shall pave new routes to practical applications of dark surface plasmons.

Multinuclear (27Al, 29Si, 47,49Ti) solid-state NMR of titanium substituted zeolite USY.

PubMed

Ganapathy, S; Gore, K U; Kumar, Rajiv; Amoureux, Jean-Paul

2003-01-01

Multinuclear solid-state NMR spectroscopy, employing 29Si MAS,27Al MAS/3Q-MAS and (47,49)Ti wide-line experiments, has been used for the structural characterization of titanium substituted ultra-stable zeolite Y (Ti-USY). 27Al MAS experiments show the presence of aluminum in four (Al(IV)), five (Al(V)), and six (Al(VI)) coordination, whereas the multiplicity within Al(IV) and Al(VI) is revealed by 27Al 3Q-MAS experiments. Two different tetrahedral and octahedral Al environments are resolved and their isotropic chemical shifts (delta(CS)) and second-order quadrupole interaction parameters (P(Q)) have been determined by a graphical analysis of the 3Q-MAS spectra. The emergence of signal with higher intensity at -101 ppm in the 29Si MAS spectrum of Ti-USY samples indicates the possible occurrence of Q4(3Si,1Ti) type silicon environments due to titanium substitution in the faujasite framework. High-field (11.74T) operation, using a probehead specially designed to handle a large sample volume, has enabled the acquisition of 47,49Ti static spectra and identification of the titanium environment in the zeolite. The chemical shielding and electric field gradient tensors for the titanium environment in the zeolite have been determined by a computer simulation of the quadrupolar broadened static 47,49Ti NMR spectra.

Comparison of the crossed and the Gregorian Mizuguchi-Dragone for wide-field millimeter-wave astronomy.

PubMed

Tran, Huan; Lee, Adrian; Hanany, Shaul; Milligan, Michael; Renbarger, Tom

2008-01-10

We compare the geometric and physical-optics performance of two configurations of offset dual-reflector antennas that obey the Mizuguchi-Dragone condition. The traditional Gregorian configuration is compared with the larger crossed configuration. These configurations are candidates for experiments that measure the polarization of the cosmic microwave background. Particular attention is given to wide-field performance and polarization fidelity. Both a ray tracer and a physical optics simulation package are used to conclude that the crossed configuration has a larger diffraction-limited field of view, but within this limit both configurations have roughly the same instrumental polarization and both show excellent cross-polarization levels, with the crossed configuration showing approximately 10 dB better performance.

Comparison of the crossed and the Gregorian Mizuguchi-Dragone for wide-field millimeter-wave astronomy

NASA Astrophysics Data System (ADS)

Tran, Huan; Lee, Adrian; Hanany, Shaul; Milligan, Michael; Renbarger, Tom

2008-01-01

We compare the geometric and physical-optics performance of two configurations of offset dual-reflector antennas that obey the Mizuguchi-Dragone condition. The traditional Gregorian configuration is compared with the larger crossed configuration. These configurations are candidates for experiments that measure the polarization of the cosmic microwave background. Particular attention is given to wide-field performance and polarization fidelity. Both a ray tracer and a physical optics simulation package are used to conclude that the crossed configuration has a larger diffraction-limited field of view, but within this limit both configurations have roughly the same instrumental polarization and both show excellent cross-polarization levels, with the crossed configuration showing ~10 dB better performance.

Tank waste remediation system configuration management implementation plan

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vann, J.M.

1998-03-31

The Tank Waste Remediation System (TWRS) Configuration Management Implementation Plan describes the actions that will be taken by Project Hanford Management Contract Team to implement the TWRS Configuration Management program defined in HNF 1900, TWRS Configuration Management Plan. Over the next 25 years, the TWRS Project will transition from a safe storage mission to an aggressive retrieval, storage, and disposal mission in which substantial Engineering, Construction, and Operations activities must be performed. This mission, as defined, will require a consolidated configuration management approach to engineering, design, construction, as-building, and operating in accordance with the technical baselines that emerge from themore » life cycles. This Configuration Management Implementation Plan addresses the actions that will be taken to strengthen the TWRS Configuration Management program.« less

Space shuttle: Aerodynamic characteristics of a composite booster/040A orbiter launch configuration with fin and booster body configuration effect contribution

NASA Technical Reports Server (NTRS)

Ainsworth, R. W.; Johnson, J. C.; Watts, L. L.

1972-01-01

An investigation was made of the fin configuration and booster body configuration effects on a composite booster/040A orbiter launch configuration. Aerodynamic performance and stability characteristics in pitch and yaw were obtained. Configurations tested included two stepped cylindrical bodies of different lengths with a conical nose, four fin shapes of various sizes and aspect ratios mounted in different positions around the base of the bodies, two base flare angles and three 040A orbiter configurations. The orbiter variations included a tailless configuration and two tail sizes. A tailless booster launch configuration with deflected petals (expanded flare sectors) was also tested. The model scale was 0.003366. Data were converted to coefficient form in near real time, punched on cards, and tabulated. The cards used in conjunction with a Benson-Lehner plotter were used to provide plotted data. At the end of the test, tabulated input forms were completed for the SADSAC computer program to aid in publishing the final test data report.

Space shuttle phase B wind tunnel model and test information. Volume 3: Launch configuration

NASA Technical Reports Server (NTRS)

Glynn, J. L.; Poucher, D. E.

1988-01-01

Archived wind tunnel test data are available for flyback booster or other alternate recoverable configuration as well as reusable orbiters studied during initial development (Phase B) of the Space Shuttle, including contractor data for an extensive variety of configurations with an array of wing and body planforms. The test data have been compiled into a database and are available for application to current winged flyback or recoverable booster aerodynamic studies. The Space Shuttle Phase B Wind Tunnel Database is structured by vehicle component and configuration. Basic components include booster, orbiter, and launch vehicle. Booster configuration types include straight and delta wings, canard, cylindrical, retroglide and twin body. Orbiter configurations include straight and delta wings, lifting body, drop tanks and double delta wings. Launch configurations include booster and orbiter components in various stacked and tandem combinations. The digital database consists of 220 files containing basic tunnel data. Database structure is documented in a series of reports which include configuration sketches for the various planforms tested. This is Volume 3 -- launch configurations.

Misalignment sensitivity in an intra-cavity coherently combined crossed-Porro resonator configuration

NASA Astrophysics Data System (ADS)

Alperovich, Z.; Buchinsky, O.; Greenstein, S.; Ishaaya, A. A.

2017-08-01

We investigate the misalignment sensitivity in a crossed-Porro resonator configuration when coherently combining two pulsed multimode Nd:YAG laser channels. To the best of our knowledge, this is the first reported study of this configuration. The configuration is based on a passive intra-cavity interferometric combiner that promotes self-phase locking and coherent combining. Detailed misalignment sensitivity measurements are presented, examining both translation and angular deviations of the end prisms and combiner, and are compared to the results for standard flat end-mirror configurations. The results show that the most sensitive parameter in the crossed-Porro resonator configuration is the angular tuning of the intra-cavity interferometric combiner, which is ~±54 µrad. In comparison, with the flat end mirror configuration, the most sensitive parameter in the resonator is the angular tuning of the output coupler, which is ~±11 µrad. Thus, with the crossed-Porro configuration, we obtain significantly reduced sensitivity. This ability to reduce the misalignment sensitivity in coherently combined solid-state configurations may be beneficial in paving their way into practical use in a variety of demanding applications.

Configural face processing impacts race disparities in humanization and trust

PubMed Central

Cassidy, Brittany S.; Krendl, Anne C.; Stanko, Kathleen A.; Rydell, Robert J.; Young, Steven G.; Hugenberg, Kurt

2018-01-01

The dehumanization of Black Americans is an ongoing societal problem. Reducing configural face processing, a well-studied aspect of typical face encoding, decreases the activation of human-related concepts to White faces, suggesting that the extent that faces are configurally processed contributes to dehumanization. Because Black individuals are more dehumanized relative to White individuals, the current work examined how configural processing might contribute to their greater dehumanization. Study 1 showed that inverting faces (which reduces configural processing) reduced the activation of human-related concepts toward Black more than White faces. Studies 2a and 2b showed that reducing configural processing affects dehumanization by decreasing trust and increasing homogeneity among Black versus White faces. Studies 3a–d showed that configural processing effects emerge in racial outgroups for whom untrustworthiness may be a more salient group stereotype (i.e., Black, but not Asian, faces). Study 4 provided evidence that these effects are specific to reduced configural processing versus more general perceptual disfluency. Reduced configural processing may thus contribute to the greater dehumanization of Black relative to White individuals. PMID:29910510

Configuration aerodynamics

NASA Technical Reports Server (NTRS)

Polhamus, E. C.; Gloss, B. B.

1981-01-01

Static aerodynamic research related to aircraft configurations in their cruise or combat modes is discussed. Subsonic transport aircraft, transonic tactical aircraft, and slender wing aircraft are considered. The status and plans of Langley's NTF configuration research program are reviewed. Recommendations for near term configuration research are made.

CD-ROM Hardware Configurations: Selection and Design.

ERIC Educational Resources Information Center

Jaffe, Lee David; Watkins, Steven G.

1992-01-01

Presents selection and design considerations to help libraries make informed decisions about hardware configurations of CD-ROM systems. Highlights include CD-ROM configurations, including single drive workstations, daisychains, and jukeboxes; network configurations, including remote access; microcomputer features; CD-ROM drive selection; and…

Comparative research of redundant strap down inertial navigation system based on different configuration schemes

NASA Astrophysics Data System (ADS)

Yu, Yuting; Cheng, Ming

2018-05-01

Aiming at various configuration scheme and inertial measurement units of Strapdown Inertial Navigation System, selected tetrahedron skew configuration and coaxial orthogonal configuration by nine low cost IMU to build system. Calculation and simulation the performance index, reliability and fault diagnosis ability of the navigation system. Analysis shows that the reliability and reconfiguration scheme of skew configuration is superior to the orthogonal configuration scheme, while the performance index and fault diagnosis ability of the system are similar. The work in this paper provides a strong reference for the selection of engineering applications.

Airborne wireless communication systems, airborne communication methods, and communication methods

DOEpatents

Deaton, Juan D [Menan, ID; Schmitt, Michael J [Idaho Falls, ID; Jones, Warren F [Idaho Falls, ID

2011-12-13

An airborne wireless communication system includes circuitry configured to access information describing a configuration of a terrestrial wireless communication base station that has become disabled. The terrestrial base station is configured to implement wireless communication between wireless devices located within a geographical area and a network when the terrestrial base station is not disabled. The circuitry is further configured, based on the information, to configure the airborne station to have the configuration of the terrestrial base station. An airborne communication method includes answering a 911 call from a terrestrial cellular wireless phone using an airborne wireless communication system.

Magnetic field configurations on thruster performance in accordance with ion beam characteristics in cylindrical Hall thruster plasmas

NASA Astrophysics Data System (ADS)

Kim, Holak; Choe, Wonho; Lim, Youbong; Lee, Seunghun; Park, Sanghoo

2017-03-01

Magnetic field configuration is critical in Hall thrusters for achieving high performance, particularly in thrust, specific impulse, efficiency, etc. Ion beam features are also significantly influenced by magnetic field configurations. In two typical magnetic field configurations (i.e., co-current and counter-current configurations) of a cylindrical Hall thruster, ion beam characteristics are compared in relation to multiply charged ions. Our study shows that the co-current configuration brings about high ion current (or low electron current), high ionization rate, and small plume angle that lead to high thruster performance.

An experimental study of several wind tunnel wall configurations using two V/STOL model configurations. [low speed wind tunnels

NASA Technical Reports Server (NTRS)

Binion, T. W., Jr.

1975-01-01

Experiments were conducted in the low speed wind tunnel using two V/STOL models, a jet-flap and a jet-in-fuselage configuration, to search for a wind tunnel wall configuration to minimize wall interference on V/STOL models. Data were also obtained on the jet-flap model with a uniform slotted wall configuration to provide comparisons between theoretical and experimental wall interference. A test section configuration was found which provided some data in reasonable agreement with interference-free results over a wide range of momentum coefficients.

Introduction to the Special Issue on Visual Working Memory

PubMed Central

Wolfe, Jeremy M

2014-01-01

Objects are not represented individually in visual working memory (VWM), but in relation to the contextual information provided by other memorized objects. We studied whether the contextual information provided by the spatial configuration of all memorized objects is viewpoint-dependent. We ran two experiments asking participants to detect changes in locations between memory and probe for one object highlighted in the probe image. We manipulated the changes in viewpoint between memory and probe (Exp. 1: 0°, 30°, 60°; Exp. 2: 0°, 60°), as well as the spatial configuration visible in the probe image (Exp. 1: full configuration, partial configuration; Exp. 2: full configuration, no configuration). Location change detection was higher with the full spatial configuration than with the partial configuration or with no spatial configuration at viewpoint changes of 0°, thus replicating previous findings on the nonindependent representations of individual objects in VWM. Most importantly, the effect of spatial configurations decreased with increasing viewpoint changes, suggesting a viewpoint-dependent representation of contextual information in VWM. We discuss these findings within the context of this special issue, in particular whether research performed within the slots-versus-resources debate and research on the effects of contextual information might focus on two different storage systems within VWM. PMID:25341647

A Comparison of Three Second-generation Swirl-Venturi Lean Direct Injection Combustor Concepts

NASA Technical Reports Server (NTRS)

Tacina, Kathleen M.; Podboy, Derek P.; He, Zhuohui Joe; Lee, Phil; Dam, Bidhan; Mongia, Hukam

2016-01-01

Three variations of a low emissions aircraft gas turbine engine combustion concept were developed and tested. The concept is a second generation swirl-venturi lean direct injection (SV-LDI) concept. LDI is a lean-burn combustion concept in which the fuel is injected directly into the flame zone. All three variations were based on the baseline 9- point SV-LDI configuration reported previously. The three second generation SV-LDI variations are called the 5-recess configuration, the flat dome configuration, and the 9- recess configuration. These three configurations were tested in a NASA Glenn Research Center medium pressure flametube. All three second generation variations had better low power operability than the baseline 9-point configuration. All three configurations had low NO(sub x) emissions, with the 5-recess configuration generally having slightly lower NO(x) than the flat dome or 9-recess configurations. Due to the limitations of the flametube that prevented testing at pressures above 20 atm, correlation equations were developed for the at dome and 9-recess configurations so that the landing-takeoff NO(sub x) emissions could be estimated. The flat dome and 9-recess landing-takeoff NO(x) emissions are estimated to be 81-88% below the CAEP/6 standards, exceeding the project goal of 75% reduction.

Bootstrap Percolation on Homogeneous Trees Has 2 Phase Transitions

NASA Astrophysics Data System (ADS)

Fontes, L. R. G.; Schonmann, R. H.

2008-09-01

We study the threshold θ bootstrap percolation model on the homogeneous tree with degree b+1, 2≤ θ≤ b, and initial density p. It is known that there exists a nontrivial critical value for p, which we call p f , such that a) for p> p f , the final bootstrapped configuration is fully occupied for almost every initial configuration, and b) if p< p f , then for almost every initial configuration, the final bootstrapped configuration has density of occupied vertices less than 1. In this paper, we establish the existence of a distinct critical value for p, p c , such that 0< p c < p f , with the following properties: 1) if p≤ p c , then for almost every initial configuration there is no infinite cluster of occupied vertices in the final bootstrapped configuration; 2) if p> p c , then for almost every initial configuration there are infinite clusters of occupied vertices in the final bootstrapped configuration. Moreover, we show that 3) for p< p c , the distribution of the occupied cluster size in the final bootstrapped configuration has an exponential tail; 4) at p= p c , the expected occupied cluster size in the final bootstrapped configuration is infinite; 5) the probability of percolation of occupied vertices in the final bootstrapped configuration is continuous on [0, p f ] and analytic on ( p c , p f ), admitting an analytic continuation from the right at p c and, only in the case θ= b, also from the left at p f .

48 CFR 3452.239-73 - Federal desktop core configuration (FDCC) compatibility.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Configuration (FDCC) Compatibility (MAR 2011) (a) (1) The provider of information technology shall certify... alter the configuration settings from the approved FDCC configuration. The information technology should... DEPARTMENT OF EDUCATION ACQUISITION REGULATION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES...

48 CFR 3452.239-73 - Federal desktop core configuration (FDCC) compatibility.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Configuration (FDCC) Compatibility (MAR 2011) (a) (1) The provider of information technology shall certify... alter the configuration settings from the approved FDCC configuration. The information technology should... DEPARTMENT OF EDUCATION ACQUISITION REGULATION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES...

48 CFR 3452.239-73 - Federal desktop core configuration (FDCC) compatibility.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Configuration (FDCC) Compatibility (MAR 2011) (a) (1) The provider of information technology shall certify... alter the configuration settings from the approved FDCC configuration. The information technology should... DEPARTMENT OF EDUCATION ACQUISITION REGULATION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES...

48 CFR 3452.239-73 - Federal desktop core configuration (FDCC) compatibility.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Configuration (FDCC) Compatibility (MAR 2011) (a) (1) The provider of information technology shall certify... alter the configuration settings from the approved FDCC configuration. The information technology should... DEPARTMENT OF EDUCATION ACQUISITION REGULATION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES...

Effect of canard position and wing leading-edge flap deflection on wing buffet at transonic speeds

NASA Technical Reports Server (NTRS)

Gloss, B. B.; Henderson, W. P.; Huffman, J. K.

1974-01-01

A generalized wind-tunnel model, with canard and wing planform typical of highly maneuverable aircraft, was tested. The addition of a canard above the wing chord plane, for the configuration with leading-edge flaps undeflected, produced substantially higher total configuration lift coefficients before buffet onset than the configuration with the canard off and leading-edge flaps undeflected. The wing buffet intensity was substantially lower for the canard-wing configuration than the wing-alone configuration. The low-canard configuration generally displayed the poorest buffet characteristics. Deflecting the wing leading-edge flaps substantially improved the wing buffet characteristics for canard-off configurations. The addition of the high canard did not appear to substantially improve the wing buffet characteristics of the wing with leading-edge flaps deflected.

Component Fixturing Method

NASA Technical Reports Server (NTRS)

Kling, Daniel (Inventor)

2014-01-01

An end-configuration of components to be moved or positioned is first obtained. This end-configuration determines the relative positioning and orientation of the components with respect to each other when in a final, desired configuration. A folding pattern is then obtained that is formed by interior vertices defining corresponding tessellation facets. The folding pattern can be induced to transition from a first folded configuration to a second folded configuration. When in the second folded configuration mounting facets, which are a subset of the tessellation facets, are arranged by the geometry of the folding pattern into positions and orientations with respect to each other that correspond to the end-configuration of the components. A foldable structure is then obtained that folds in accordance with the folding pattern, and the components are affixed to their respective mounting facets.

Comparative evaluation of image quality among different detector configurations using area detector computed tomography.

PubMed

Miura, Yohei; Ichikawa, Katsuhiro; Fujimura, Ichiro; Hara, Takanori; Hoshino, Takashi; Niwa, Shinji; Funahashi, Masao

2018-03-01

The 320-detector row computed tomography (CT) system, i.e., the area detector CT (ADCT), can perform helical scanning with detector configurations of 4-, 16-, 32-, 64-, 80-, 100-, and 160-detector rows for routine CT examinations. This phantom study aimed to compare the quality of images obtained using helical scan mode with different detector configurations. The image quality was measured using modulation transfer function (MTF) and noise power spectrum (NPS). The system performance function (SP), based on the pre-whitening theorem, was calculated as MTF 2 /NPS, and compared between configurations. Five detector configurations, i.e., 0.5 × 16 mm (16 row), 0.5 × 64 mm (64 row), 0.5 × 80 mm (80 row), 0.5 × 100 mm (100 row), and 0.5 × 160 mm (160 row), were compared using a constant volume CT dose index (CTDI vol ) of 25 mGy, simulating the scan of an adult abdomen, and with a constant effective mAs value. The MTF was measured using the wire method, and the NPS was measured from images of a 20-cm diameter phantom with uniform content. The SP of 80-row configuration was the best, for the constant CTDI vol , followed by the 64-, 160-, 16-, and 100-row configurations. The decrease in the rate of the 100- and 160-row configurations from the 80-row configuration was approximately 30%. For the constant effective mAs, the SPs of the 100-row and 160-row configurations were significantly lower, compared with the other three detector configurations. The 80- and 64-row configurations were adequate in cases that required dose efficiency rather than scan speed.

Aeroelastic Sizing for High-Speed Research (HSR) Longitudinal Control Alternatives Project (LCAP)

NASA Technical Reports Server (NTRS)

Walsh, Joanne L.; Dunn, H. J.; Stroud, W. Jefferson; Barthelemy, J.-F.; Weston, Robert P.; Martin, Carl J.; Bennett, Robert M.

2005-01-01

The Longitudinal Control Alternatives Project (LCAP) compared three high-speed civil transport configurations to determine potential advantages of the three associated longitudinal control concepts. The three aircraft configurations included a conventional configuration with a layout having a horizontal aft tail, a configuration with a forward canard in addition to a horizontal aft tail, and a configuration with only a forward canard. The three configurations were aeroelastically sized and were compared on the basis of operational empty weight (OEW) and longitudinal control characteristics. The sized structure consisted of composite honeycomb sandwich panels on both the wing and the fuselage. Design variables were the core depth of the sandwich and the thicknesses of the composite material which made up the face sheets of the sandwich. Each configuration was sized for minimum structural weight under linear and nonlinear aeroelastic loads subject to strain, buckling, ply-mixture, and subsonic and supersonic flutter constraints. This report describes the methods that were used and the results that were generated for the aeroelastic sizing of the three configurations.

The Role of Configural Processing in Face Classification by Race: An ERP Study

PubMed Central

Lv, Jing; Yan, Tianyi; Tao, Luyang; Zhao, Lun

2015-01-01

The current study investigated the time course of the other-race classification advantage (ORCA) in the subordinate classification of normally configured faces and distorted faces by race. Slightly distorting the face configuration delayed the categorization of own-race faces and had no conspicuous effects on other-race faces. The N170 was sensitive neither to configural distortions nor to faces' races. The P3 was enhanced for other-race than own-race faces and reduced by configural manipulation only for own-race faces. We suggest that the source of ORCA is the configural analysis applied by default while processing own-race faces. PMID:26733850

Robust design of configurations and parameters of adaptable products

NASA Astrophysics Data System (ADS)

Zhang, Jian; Chen, Yongliang; Xue, Deyi; Gu, Peihua

2014-03-01

An adaptable product can satisfy different customer requirements by changing its configuration and parameter values during the operation stage. Design of adaptable products aims at reducing the environment impact through replacement of multiple different products with single adaptable ones. Due to the complex architecture, multiple functional requirements, and changes of product configurations and parameter values in operation, impact of uncertainties to the functional performance measures needs to be considered in design of adaptable products. In this paper, a robust design approach is introduced to identify the optimal design configuration and parameters of an adaptable product whose functional performance measures are the least sensitive to uncertainties. An adaptable product in this paper is modeled by both configurations and parameters. At the configuration level, methods to model different product configuration candidates in design and different product configuration states in operation to satisfy design requirements are introduced. At the parameter level, four types of product/operating parameters and relations among these parameters are discussed. A two-level optimization approach is developed to identify the optimal design configuration and its parameter values of the adaptable product. A case study is implemented to illustrate the effectiveness of the newly developed robust adaptable design method.

Automatic blocking for complex three-dimensional configurations

NASA Technical Reports Server (NTRS)

Dannenhoffer, John F., III

1995-01-01

A new blocking technique for complex three-dimensional configurations is described. This new technique is based upon the concept of an abstraction, or squared-up representation, of the configuration and the associated grid. By allowing the user to describe blocking requirements in natural terms (such as 'wrap a grid around this leading edge' or 'make all grid lines emanating from this wall orthogonal to it'), users can quickly generate complex grids around complex configurations, while still maintaining a high level of control where desired. An added advantage of the abstraction concept is that once a blocking is defined for a class of configurations, it can be automatically applied to other configurations of the same class, making the new technique particularly well suited for the parametric variations which typically occur during design processes. Grids have been generated for a variety of real-world, two- and three-dimensional configurations. In all cases, the time required to generate the grid, given just an electronic form of the configuration, was at most a few days. Hence with this new technique, the generation of a block-structured grid is only slightly more expensive than the generation of an unstructured grid for the same configuration.

A Computational/Experimental Study of Two Optimized Supersonic Transport Designs and the Reference H Baseline

NASA Technical Reports Server (NTRS)

Cliff, Susan E.; Baker, Timothy J.; Hicks, Raymond M.; Reuther, James J.

1999-01-01

Two supersonic transport configurations designed by use of non-linear aerodynamic optimization methods are compared with a linearly designed baseline configuration. One optimized configuration, designated Ames 7-04, was designed at NASA Ames Research Center using an Euler flow solver, and the other, designated Boeing W27, was designed at Boeing using a full-potential method. The two optimized configurations and the baseline were tested in the NASA Langley Unitary Plan Supersonic Wind Tunnel to evaluate the non-linear design optimization methodologies. In addition, the experimental results are compared with computational predictions for each of the three configurations from the Enter flow solver, AIRPLANE. The computational and experimental results both indicate moderate to substantial performance gains for the optimized configurations over the baseline configuration. The computed performance changes with and without diverters and nacelles were in excellent agreement with experiment for all three models. Comparisons of the computational and experimental cruise drag increments for the optimized configurations relative to the baseline show excellent agreement for the model designed by the Euler method, but poorer comparisons were found for the configuration designed by the full-potential code.

Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms.

PubMed

Wu, Qianqian; Yue, Honghao; Liu, Rongqiang; Zhang, Xiaoyou; Ding, Liang; Liang, Tian; Deng, Zongquan

2015-08-14

High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms.

Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms

PubMed Central

Wu, Qianqian; Yue, Honghao; Liu, Rongqiang; Zhang, Xiaoyou; Ding, Liang; Liang, Tian; Deng, Zongquan

2015-01-01

High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms. PMID:26287203

Water landing characteristics of a model of a winged reentry vehicle

NASA Technical Reports Server (NTRS)

Stubbs, S. M.

1972-01-01

Proposed manned space shuttle vehicles are expected to land on airport runways. In an emergency situation, however, the vehicle may be required to land on water. A 1/10-scale dynamic model of a winged reentry vehicle was investigated to determine the water landing characteristics. Two configurations of the proposed vehicle were studied. Configuration 1 had a 30 deg negative dihedral of the stabilizer-elevon surface whereas configuration 2 had a 30 deg positive dihedral. Results indicate that the maximum normal accelerations for configurations 1 and 2 when landing in calm water were approximately 8g and 6g, respectively, and the maximum longitudinal accelerations were approximately 5g and 3g, respectively. A small hydroflap was needed to obtain satisfactory calm-water landings with configuration 2, whereas configuration 1 gave good landings without a hydroflap. All landings made in rough water resulted in unsatisfactory motions. For landings made in three different wave sizes, both configurations dived. The maximum normal accelerations for configurations 1 and 2 when landing in waves were -10.1g and -18.7g, respectively, and the maximum longitudinal accelerations for both configurations were approximately 13g.

47 CFR 22.623 - System configuration.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 2 2013-10-01 2013-10-01 false System configuration. 22.623 Section 22.623... Paging and Radiotelephone Service Point-To-Multipoint Operation § 22.623 System configuration. This section requires a minimum configuration for point-to-multipoint systems using the channels listed in § 22...

47 CFR 22.623 - System configuration.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 47 Telecommunication 2 2012-10-01 2012-10-01 false System configuration. 22.623 Section 22.623... Paging and Radiotelephone Service Point-To-Multipoint Operation § 22.623 System configuration. This section requires a minimum configuration for point-to-multipoint systems using the channels listed in § 22...

47 CFR 22.623 - System configuration.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 47 Telecommunication 2 2014-10-01 2014-10-01 false System configuration. 22.623 Section 22.623... Paging and Radiotelephone Service Point-To-Multipoint Operation § 22.623 System configuration. This section requires a minimum configuration for point-to-multipoint systems using the channels listed in § 22...

47 CFR 22.623 - System configuration.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 2 2010-10-01 2010-10-01 false System configuration. 22.623 Section 22.623... Paging and Radiotelephone Service Point-To-Multipoint Operation § 22.623 System configuration. This section requires a minimum configuration for point-to-multipoint systems using the channels listed in § 22...

Spin configurations on a decorated square lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mert, Gülistan; Mert, H. Şevki

Spin configurations on a decorated square lattice are investigated using Bertaut’s microscopic method. We have obtained collinear and non-collinear (canted) modes for the given wave vectors in the ground state. We have found ferromagnetic and antiferromagnetic commensurate spin configurations. We have found canted incommensurate spin configurations.

Control of Dual-Opposed Stirling Convertors with Active Power Factor Correction Controllers

NASA Technical Reports Server (NTRS)

Regan, Timothy F.; Lewandowski, Edward J.; Schreiber, Jeffrey G.

2007-01-01

When using recently-developed active power factor correction (APFC) controllers in power systems comprised of dual-opposed free-piston Stirling convertors, a variety of configurations of the convertors and controller(s) can be considered, with configuration ultimately selected based on benefits of efficiency, reliability, and robust operation. The configuration must not only achieve stable control of the two convertors, but also synchronize and regulate motion of the pistons to minimize net dynamic forces. The NASA Glenn Research Center (GRC) System Dynamic Model (SDM) was used to study ten configurations of dual-opposed convertor systems. These configurations considered one controller with the alternators connected in series or in parallel, and two controllers with the alternators not connected (isolated). For the configurations where the alternators were not connected, several different approaches were evaluated to synchronize the two convertors. In addition, two thermodynamic configurations were considered: two convertors with isolated working spaces and convertors with a shared expansion space. Of the ten configurations studied, stable operating modes were found for four. Three of those four had a common expansion space. One stable configuration was found for the dual-opposed convertors with separate working spaces. That configuration required isochronous control of both convertors, and two APFC controllers were used to accomplish this. A frequency/phase control loop was necessary to allow each APFC controller to synchronize its associated convertor with a common frequency.

Control of Dual-Opposed Stirling Convertors with Active Power Factor Correction Controllers

NASA Technical Reports Server (NTRS)

Regan, Timothy F.; Lewandowski, Edward J.; Schreiber, Jeffrey G.

2006-01-01

When using recently-developed active power factor correction (APFC) controllers in power systems comprised of dual-opposed free-piston Stirling convertors, a variety of configurations of the convertors and controller(s) can be considered, with configuration ultimately selected based on benefits of efficiency, reliability, and robust operation. The configuration must not only achieve stable control of the two convertors, but also synchronize and regulate motion of the pistons to minimize net dynamic forces. The NASA Glenn Research Center (GRC) System Dynamic Model (SDM) was used to study ten configurations of dual-opposed convertor systems. These configurations considered one controller with the alternators connected in series or in parallel, and two controllers with the alternators not connected (isolated). For the configurations where the alternators were not connected, several different approaches were evaluated to synchronize the two convertors. In addition, two thermodynamic configurations were considered: two convertors with isolated working spaces and convertors with a shared expansion space. Of the ten configurations studied, stable operating modes were found for four. Three of those four had a common expansion space. One stable configuration was found for the dual-opposed convertors with separate working spaces. That configuration required isochronous control of both convertors, and two APFC controllers were used to accomplish this. A frequency/phase control loop was necessary to allow each APFC controller to synchronize its associated convertor with a common frequency.

MAP, MAC, and vortex-rings configurations in the Weinberg-Salam model

NASA Astrophysics Data System (ADS)

Teh, Rosy; Ng, Ban-Loong; Wong, Khai-Ming

2015-11-01

We report on the presence of new axially symmetric monopoles, antimonopoles and vortex-rings solutions of the SU(2)×U(1) Weinberg-Salam model of electromagnetic and weak interactions. When the ϕ-winding number n = 1, and 2, the configurations are monopole-antimonopole pair (MAP) and monopole-antimonopole chain (MAC) with poles of alternating sign magnetic charge arranged along the z-axis. Vortex-rings start to appear from the MAP and MAC configurations when the winding number n = 3. The MAP configurations possess zero net magnetic charge whereas the MAC configurations possess net magnetic charge of 4 πn / e. In the MAP configurations, the monopole-antimonopole pair is bounded by the Z0 field flux string and there is an electromagnetic current loop encircling it. The monopole and antimonopole possess magnetic charges ± 4πn/e sin2θW respectively. In the MAC configurations there is no string connecting the monopole and the adjacent antimonopole and they possess magnetic charges ± 4 πn/e respectively. The MAC configurations possess infinite total energy and zero magnetic dipole moment whereas the MAP configurations which are actually sphalerons possess finite total energy and magnetic dipole moment. The configurations were investigated for varying values of Higgs self-coupling constant 0 ≤ λ ≤ 40 at Weinberg angle θW = π/4.

Comparative analysis of different configurations of PLC-based safety systems from reliability point of view

NASA Technical Reports Server (NTRS)

Tapia, Moiez A.

1993-01-01

The study of a comparative analysis of distinct multiplex and fault-tolerant configurations for a PLC-based safety system from a reliability point of view is presented. It considers simplex, duplex and fault-tolerant triple redundancy configurations. The standby unit in case of a duplex configuration has a failure rate which is k times the failure rate of the standby unit, the value of k varying from 0 to 1. For distinct values of MTTR and MTTF of the main unit, MTBF and availability for these configurations are calculated. The effect of duplexing only the PLC module or only the sensors and the actuators module, on the MTBF of the configuration, is also presented. The results are summarized and merits and demerits of various configurations under distinct environments are discussed.

Electrical system architecture having high voltage bus

DOEpatents

Hoff, Brian Douglas [East Peoria, IL; Akasam, Sivaprasad [Peoria, IL

2011-03-22

An electrical system architecture is disclosed. The architecture has a power source configured to generate a first power, and a first bus configured to receive the first power from the power source. The architecture also has a converter configured to receive the first power from the first bus and convert the first power to a second power, wherein a voltage of the second power is greater than a voltage of the first power, and a second bus configured to receive the second power from the converter. The architecture further has a power storage device configured to receive the second power from the second bus and deliver the second power to the second bus, a propulsion motor configured to receive the second power from the second bus, and an accessory motor configured to receive the second power from the second bus.

Impaction densitometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parrington, Josef R.

Disclosed is an impaction densitometer having a chamber configured to receive a particle; a beam generator configured to emit a beam; a detector configured to receive the beam and convert a change in intensity of the received beam into an electrical signal corresponding to a particle volume; an impact sensor positioned a known distance from the beam and configured to measure a particle momentum as a function of an impact energy transferred from the particle to the impact sensor; a velocity calculator configured to calculate a particle velocity based on a time it takes the particle to pass through themore » beam and strike the impact sensor; a mass calculator configured to calculate a particle mass as a function of the particle momentum and velocity; and a density calculator configured to calculate a particle density as a function of the particle mass and volume.« less

Fractional Factorial Experiment Designs to Minimize Configuration Changes in Wind Tunnel Testing

NASA Technical Reports Server (NTRS)

DeLoach, Richard; Cler, Daniel L.; Graham, Albert B.

2002-01-01

This paper serves as a tutorial to introduce the wind tunnel research community to configuration experiment designs that can satisfy resource constraints in a configuration study involving several variables, without arbitrarily eliminating any of them from the experiment initially. The special case of a configuration study featuring variables at two levels is examined in detail. This is the type of study in which each configuration variable has two natural states - 'on or off', 'deployed or not deployed', 'low or high', and so forth. The basic principles are illustrated by results obtained in configuration studies conducted in the Langley National Transonic Facility and in the ViGYAN Low Speed Tunnel in Hampton, Virginia. The crucial role of interactions among configuration variables is highlighted with an illustration of difficulties that can be encountered when they are not properly taken into account.

System and method for merging clusters of wireless nodes in a wireless network

DOEpatents

Budampati, Ramakrishna S [Maple Grove, MN; Gonia, Patrick S [Maplewood, MN; Kolavennu, Soumitri N [Blaine, MN; Mahasenan, Arun V [Kerala, IN

2012-05-29

A system includes a first cluster having multiple first wireless nodes. One first node is configured to act as a first cluster master, and other first nodes are configured to receive time synchronization information provided by the first cluster master. The system also includes a second cluster having one or more second wireless nodes. One second node is configured to act as a second cluster master, and any other second nodes configured to receive time synchronization information provided by the second cluster master. The system further includes a manager configured to merge the clusters into a combined cluster. One of the nodes is configured to act as a single cluster master for the combined cluster, and the other nodes are configured to receive time synchronization information provided by the single cluster master.

Design of a holographic waveguide with L configuration

NASA Astrophysics Data System (ADS)

Xiang, Guangxin-Xin; Li, Wen-Qiang

2016-10-01

In order to decrease the complexity to design and manufacture the turning grating of the configuration with one reflecting surface, an L-shape two-dimension extended configuration with single plate is given in the paper. This configuration consists of one specular reflecting surface and three holographic gratings two in which periods and the groove orientations are totally same, which makes gratings design and fabrication easier. According to the calculation and analysis to the optical path of configuration, the dimension of the turning grating is no larger than 40mm×30mm. The simulation result demonstrates the display configuration is reasonable and correct and can realize the display effect with 30°×30° field of view and Φ30mm large exit pupil. This configuration can be applied to an Augmented Reality Display (AR) or a Head-Mounted Display (HMD).

Chromatin configurations in the ferret germinal vesicle that reflect developmental competence for in vitro maturation.

PubMed

Sun, X; Li, Z; Yi, Y; Ding, W; Chen, J; Engelhardt, J F; Leno, G H

2009-04-01

In several mammalian species, the configuration of germinal vesicle (GV) chromatin correlates with the developmental competence of oocytes. Yet, no study has been published on the configuration of GV chromatin in ferret, nor is it known whether a specific configuration predicts meiotic competence in this species, in spite of the potential importance of ferret cloning to the study of human disease and to species conservation efforts. Here, we report on an analysis of the chromatin configuration in ferret GV oocytes and on how they correlate with meiotic development. Three distinct configurations were identified based on the degree of chromatin condensation: (1) fibrillar chromatin (FC), featuring strands of intertwined chromatin occupying most of the visible GV region; (2) intermediate condensed chromatin (ICC), characterized by dense, irregular chromatin masses throughout the GV; and (3) condensed chromatin (CC), which is highly compact and centered around the nucleolus. We also found that chromatin configuration was related to the extent of association with cumulus cells in cumulus-oocyte complexes; CC-configured oocytes were most often surrounded by a compact cumulus layer and also a compact corona but FC-configured oocytes were associated with neither. In addition, increasing chromatin condensation corresponded to an increase in oocyte diameter. Finally, following in vitro culture, significantly more CC-configured oocytes underwent maturation to meiotic metaphase II than did FC- or ICC-configured oocytes. We conclude that, in ferret, chromatin condensation is related to the sequential achievement of meiotic competencies during oocyte growth and differentiation, and thus can be used as a predictor of competence.

48 CFR 352.239-70 - Standard for security configurations.

Code of Federal Regulations, 2010 CFR

2010-10-01

... configure its computers that contain HHS data with the applicable Federal Desktop Core Configuration (FDCC) (see http://nvd.nist.gov/fdcc/index.cfm) and ensure that its computers have and maintain the latest... technology (IT) that is used to process information on behalf of HHS. The following security configuration...

48 CFR 352.239-70 - Standard for security configurations.

Code of Federal Regulations, 2011 CFR

2011-10-01

... configure its computers that contain HHS data with the applicable Federal Desktop Core Configuration (FDCC) (see http://nvd.nist.gov/fdcc/index.cfm) and ensure that its computers have and maintain the latest... technology (IT) that is used to process information on behalf of HHS. The following security configuration...