Effect of simple solutes on the long range dipolar correlations in liquid water
Energy Technology Data Exchange (ETDEWEB)
Baul, Upayan, E-mail: upayanb@imsc.res.in; Anishetty, Ramesh, E-mail: ramesha@imsc.res.in; Vemparala, Satyavani, E-mail: vani@imsc.res.in [The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113 (India); Kanth, J. Maruthi Pradeep, E-mail: jmpkanth@gmail.com [Vectra LLC, Mount Road, Chennai 600006 (India)
2016-03-14
Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions. Recent numerical and experimental results have suggested that such a description of order or structure in liquid water is incomplete and there exist considerably longer ranged orientational correlations in water that can be studied through dipolar correlations. In this study, using large scale classical, atomistic molecular dynamics simulations using TIP4P-Ew and TIP3P models of water, we show that salts such as sodium chloride (NaCl), potassium chloride (KCl), caesium chloride (CsCl), and magnesium chloride (MgCl{sub 2}) have a long range effect on the dipolar correlations, which cannot be explained by the notion of structure making and breaking by dissolved ions. Observed effects are explained through orientational stratification of water molecules around ions and their long range coupling to the global hydrogen bond network by virtue of the sum rule for water. The observations for single hydrophilic solutes are contrasted with the same for a single methane (CH{sub 4}) molecule. We observe that even a single small hydrophobe can result in enhancement of long range orientational correlations in liquid water, contrary to the case of dissolved ions, which have been observed to have a reducing effect. The observations from this study are discussed in the context of hydrophobic effect.
International Nuclear Information System (INIS)
Fushman, David; Cowburn, David
1999-01-01
Current approaches to 15N relaxation in proteins assume that the 15N-1H dipolar and 15N CSA tensors are collinear. We show theoretically that, when there is significant anisotropy of molecular rotation, different orientations of the two tensors, experimentally observed in proteins, nucleic acids, and small peptides, will result in differences in site- specific correlation functions and spectral densities. The standard treatments of the rates of longitudinal and transverse relaxation of amide 15N nuclei, of the 15N CSA/15N-1H dipolar cross correlation, and of the TROSY experiment are extended to account for the effect of noncollinearity of the 15N-1H dipolar and 15N CSA (chemical shift anisotropy) tensors. This effect, proportional to the degree of anisotropy of the overall motion, (D-parallel /D-perpendicular -1), is sensitive to the relative orientation of the two tensors and to the orientation of the peptide plane with respect to the diffusion coordinate frame. The effect is negligible at small degrees of anisotropy, but is predicted to become significant for D-parallel /D-perpendicular ≥1.5, and at high magnetic fields. The effect of noncollinearity of 15N CSA and 15N-1H dipolar interaction is sensitive to both gross (hydrodynamic) properties and atomic-level details of protein structure. Incorporation of this effect into relaxation data analysis is likely to improve both precision and accuracy of the derived characteristics of protein dynamics, especially at high magnetic fields and for molecules with a high degree of anisotropy of the overall motion. The effect will also make TROSY efficiency dependent on local orientation in moderately anisotropic systems
Imaging using long range dipolar field effects
International Nuclear Information System (INIS)
Gutteridge, Sarah
2002-01-01
The work in this thesis has been undertaken by the author, except where indicated in reference, within the Magnetic Resonance Centre, at the University of Nottingham during the period from October 1998 to March 2001. This thesis details the different characteristics of the long range dipolar field and its application to magnetic resonance imaging. The long range dipolar field is usually neglected in nuclear magnetic resonance experiments, as molecular tumbling decouples its effect at short distances. However, in highly polarised samples residual long range components have a significant effect on the evolution of the magnetisation, giving rise to multiple spin echoes and unexpected quantum coherences. Three applications utilising these dipolar field effects are documented in this thesis. The first demonstrates the spatial sensitivity of the signal generated via dipolar field effects in structured liquid state samples. The second utilises the signal produced by the dipolar field to create proton spin density maps. These maps directly yield an absolute value for the water content of the sample that is unaffected by relaxation and any RF inhomogeneity or calibration errors in the radio frequency pulses applied. It has also been suggested that the signal generated by dipolar field effects may provide novel contrast in functional magnetic resonance imaging. In the third application, the effects of microscopic susceptibility variation on the signal are studied and the relaxation rate of the signal is compared to that of a conventional spin echo. (author)
International Nuclear Information System (INIS)
Lozovoi, A.; Mattea, C.; Stapf, S.; Herrmann, A.; Rössler, E. A.; Fatkullin, N.
2016-01-01
A simple and fast method for the investigation of segmental diffusion in high molar mass polymer melts is presented. The method is based on a special function, called proton dipolar-correlation build-up function, which is constructed from Hahn Echo signals measured at times t and t/2. The initial rise of this function contains additive contributions from both inter- and intramolecular magnetic dipole-dipole interactions. The intermolecular contribution depends on the relative mean squared displacements (MSDs) of polymer segments from different macromolecules, while the intramolecular part reflects segmental reorientations. Separation of both contributions via isotope dilution provides access to segmental displacements in polymer melts at millisecond range, which is hardly accessible by other methods. The feasibility of the method is illustrated by investigating protonated and deuterated polybutadiene melts with molecular mass 196 000 g/mol at different temperatures. The observed exponent of the power law of the segmental MSD is close to 0.32 ± 0.03 at times when the root MSD is in between 45 Å and 75 Å, and the intermolecular proton dipole-dipole contribution to the total proton Hahn Echo NMR signal is larger than 50% and increases with time.
Drag Effect in Double-Layer Dipolar Fermi Gases
International Nuclear Information System (INIS)
Tanatar, B; Renklioglu, B; Oktel, M O
2014-01-01
We consider two parallel layers of two-dimensional spin-polarized dipolar Fermi gas without any tunneling between the layers. The effective interactions describing screening and correlation effects between the dipoles in a single layer (intra-layer) and across the layers (interlayer) are modeled within the Hubbard approximation. We calculate the rate of momentum transfer between the layers when the gas in one layer has a steady flow. The momentum transfer induces a steady flow in the second layer which is assumed initially at rest. This is the drag effect familiar from double-layer semiconductor and graphene structures. Our calculations show that the momentum relaxation time has temperature dependence similar to that in layers with charged particles which we think is related to the contributions from the collective modes of the system
The effect of dipolar interaction on the magnetic isotope effect
DEFF Research Database (Denmark)
Mojaza, Matin; Pedersen, Jørgen Boiden; Lukzen, Nikita
2010-01-01
A multi-channel kinetic description is used to study the magnetic isotope effect (MIE) in zero magnetic field. The maximal isotope effect is equal to the number of channels, two for the hyperfine interaction but four for the electron spin dipole–dipole interaction of the intermediate radical pair....... Quantum mechanical calculations agree with these conclusion and show that large MIE may be obtained even in the presence of a strong exchange interaction. The observed magnesium isotope effect on the rate of enzymatic synthesis of adenosine triphosphate (ATP) is approximately 3 implying that the dipolar...... interaction is responsible for the effect. Our calculations provide support for the proposed mechanism....
Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik
2012-08-16
The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.
Absolute carrier phase effects in the two-color excitation of dipolar molecules
International Nuclear Information System (INIS)
Brown, Alex; Meath, W.J.; Kondo, A.E.
2002-01-01
The pump-probe excitation of a two-level dipolar (d≠0) molecule, where the pump frequency is tuned to the energy level separation while the probe frequency is extremely small, is examined theoretically as an example of absolute phase control of excitation processes. The state populations depend on the probe field's absolute carrier phase but are independent of the pump field's absolute carrier phase. Interestingly, the absolute phase effects occur for pulse durations much longer and field intensities much weaker than those required to see such effects in single pulse excitation
Energy Technology Data Exchange (ETDEWEB)
Moscoso-Londoño, O., E-mail: omoscoso@ifi.unicamp.br [Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas (UNICAMP), CEP13083-859 Campinas, São Paulo (Brazil); Tancredi, P. [Laboratorio de Sólidos Amorfos, INTECIN, Facultad de Ingeniería, Universidad de Buenos Aires (UBA), CONICET, C1063ACV Buenos Aires (Argentina); Muraca, D. [Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas (UNICAMP), CEP13083-859 Campinas, São Paulo (Brazil); Centro de Ciencias Naturais e Humanas, Universidade Federal do ABC (UFABC), Av. Dos Estados, 5001, Santo André, SP (Brazil); Mendoza Zélis, P.; Coral, D.; Fernández van Raap, M.B. [Instituto de Física, Universidad Nacional de La Plata (UNLP), CONICET, CC.67, 1900 La Plata, Buenos Aires (Argentina); Wolff, U.; Neu, V.; Damm, C. [IFW Dresden, Leibniz Institute for Solid State and Materials Research, Dresden, Helmholtzstrasse 20, 01069 Dresden (Germany); Oliveira, C.L.P. de [Instituto de Física, Universidade de São Paulo, São Paulo 05314970 (Brazil); Pirota, K.R. [Instituto de Física ‘Gleb Wataghin’, Universidade Estadual de Campinas (UNICAMP), CEP13083-859 Campinas, São Paulo (Brazil); and others
2017-04-15
Controlled magnetic granular materials with different concentrations of magnetite nanoparticles immersed in a non-conducting polymer matrix were synthesized and, their macroscopic magnetic observables analyzed in order to advance towards a better understanding of the magnetic dipolar interactions and its effects on the obtained magnetic parameters. First, by means of X-ray diffraction, transmission electron microscopy, small angle X-ray scattering and X-ray absorption fine structure an accurate study of the structural properties was carried out. Then, the magnetic properties were analyzed by means of different models, including those that consider the magnetic interactions through long-range dipolar forces as: the Interacting Superparamagnetic Model (ISP) and the Vogel-Fulcher law (V-F). In systems with larger nanoparticle concentrations, magnetic results clearly indicate that the role played by the dipolar interactions affects the magnetic properties, giving rise to obtaining magnetic and structural parameters without physical meaning. Magnetic parameters as the effective anisotropic constant, magnetic moment relaxation time and mean blocking temperature, extracted from the application of the ISP model and V-F Law, were used to simulate the zero-field-cooling (ZFC) and field-cooling curves (FC). A comparative analysis of the simulated, fitted and experimental ZFC/FC curves suggests that the current models depict indeed our dilute granular systems. Notwithstanding, for concentrated samples, the ISP model infers that clustered nanoparticles are being interpreted as single entities of larger magnetic moment and volume, effect that is apparently related to a collective and complex magnetic moment dynamics within the cluster. - Highlights: • Nanoparticle architecture into matrices determines the composite magnetic response. • Magnetically diluted or compacted systems are useful to study magnetism at nanoscale. • Particle aggregation into the matrices was examined
Fluctuation and dipolar interaction effects on the pinning of domain walls
International Nuclear Information System (INIS)
Chui, S.T.
2001-01-01
We discuss the effect of the dipolar interaction on the pinning of domain walls. Domain walls are usually pinned near the boundaries between grains. Magnetic charges accumulated at the domain wall make the wall more unstable and easier to depin. We discuss how the grain-orientation and thermal fluctuations affect these magnetic charges and hence the depinning of the domain walls. Our results are illustrated by finite temperature Monte Carlo simulation on periodic arrays of large cells separated by walls consisting of faces of pyramids
Effect of Dipolar Interactions on the Magnetization of Single-Molecule Magnets in a cubic lattice
Alcantara Ortigoza, Marisol
2005-03-01
Since the one-body tunnel picture of single-molecule magnets (SMM) is not always sufficient to explain the fine structure of experimental hysteresis loops, the effect of intermolecular dipolar interactions has been investigated on an ensemble of 100 3D-systems of 5X5X4 particles, each with spin S = 5, arranged in a cubic lattice. We have solved the Landau-Lifshitz-Gilbert equation for several values of the damping constant, the field sweep rate and the lattice constant. We find that the smaller the damping constant is, the stronger the maximum field needs to be to produce hysteresis. Furthermore, the shape of the hysteresis loops also depends on the damping constant. We also find that the system magnetizes and demagnetizes faster with decreasing sweep rates, resulting in smaller hysteresis loops. Variations of the lattice constant within realistic values (1.5nm and 2.5nm) show that the dipolar interaction plays an important role in magnetic hysteresis by controlling the relaxation process. Examination of temperature dependencies (0.1K and 0.7K) of the above will be presented and compared with recent experimental data on SMM.
Compressibility, zero sound, and effective mass of a fermionic dipolar gas at finite temperature
International Nuclear Information System (INIS)
Kestner, J. P.; Das Sarma, S.
2010-01-01
The compressibility, zero-sound dispersion, and effective mass of a gas of fermionic dipolar molecules is calculated at finite temperature for one-, two-, and three-dimensional uniform systems, and in a multilayer quasi-two-dimensional system. The compressibility is nonmonotonic in the reduced temperature, T/T F , exhibiting a maximum at finite temperature. This effect might be visible in a quasi-low-dimensional experiment, providing a clear signature of the onset of many-body quantum degeneracy effects. The collective mode dispersion and effective mass show similar nontrivial temperature and density dependence. In a quasi-low-dimensional system, the zero-sound mode may propagate at experimentally attainable temperatures.
Cross-correlated relaxation rates between protein backbone H–X dipolar interactions
International Nuclear Information System (INIS)
Vögeli, Beat
2017-01-01
The relaxation interference between dipole–dipole interactions of two separate spin pairs carries structural and dynamics information. In particular, when compared to individual dynamic behavior of those spin pairs, such cross-correlated relaxation (CCR) rates report on the correlation between the spin pairs. We have recently mapped out correlated motion along the backbone of the protein GB3, using CCR rates among and between consecutive H N –N and H α –C α dipole–dipole interactions. Here, we provide a detailed account of the measurement of the four types of CCR rates. All rates were obtained from at least two different pulse sequences, of which the yet unpublished ones are presented. Detailed comparisons between the different methods and corrections for unwanted pathways demonstrate that the averaged CCR rates are highly accurate and precise with errors of 1.5–3% of the entire value ranges.
Cross-correlated relaxation rates between protein backbone H–X dipolar interactions
Energy Technology Data Exchange (ETDEWEB)
Vögeli, Beat, E-mail: beat.vogeli@ucdenver.edu [University of Colorado Denver, Department of Biochemistry and Molecular Genetics (United States)
2017-03-15
The relaxation interference between dipole–dipole interactions of two separate spin pairs carries structural and dynamics information. In particular, when compared to individual dynamic behavior of those spin pairs, such cross-correlated relaxation (CCR) rates report on the correlation between the spin pairs. We have recently mapped out correlated motion along the backbone of the protein GB3, using CCR rates among and between consecutive H{sup N}–N and H{sup α}–C{sup α} dipole–dipole interactions. Here, we provide a detailed account of the measurement of the four types of CCR rates. All rates were obtained from at least two different pulse sequences, of which the yet unpublished ones are presented. Detailed comparisons between the different methods and corrections for unwanted pathways demonstrate that the averaged CCR rates are highly accurate and precise with errors of 1.5–3% of the entire value ranges.
Sequential backbone assignment based on dipolar amide-to-amide correlation experiments
Energy Technology Data Exchange (ETDEWEB)
Xiang, ShengQi; Grohe, Kristof; Rovó, Petra; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Linser, Rasmus, E-mail: rali@nmr.mpibpc.mpg.de [Max Planck Institute for Biophysical Chemistry, Department for NMR-Based Structural Biology (Germany)
2015-07-15
Proton detection in solid-state NMR has seen a tremendous increase in popularity in the last years. New experimental techniques allow to exploit protons as an additional source of information on structure, dynamics, and protein interactions with their surroundings. In addition, sensitivity is mostly improved and ambiguity in assignment experiments reduced. We show here that, in the solid state, sequential amide-to-amide correlations turn out to be an excellent, complementary way to exploit amide shifts for unambiguous backbone assignment. For a general assessment, we compare amide-to-amide experiments with the more common {sup 13}C-shift-based methods. Exploiting efficient CP magnetization transfers rather than less efficient INEPT periods, our results suggest that the approach is very feasible for solid-state NMR.
Sequential backbone assignment based on dipolar amide-to-amide correlation experiments
International Nuclear Information System (INIS)
Xiang, ShengQi; Grohe, Kristof; Rovó, Petra; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Linser, Rasmus
2015-01-01
Proton detection in solid-state NMR has seen a tremendous increase in popularity in the last years. New experimental techniques allow to exploit protons as an additional source of information on structure, dynamics, and protein interactions with their surroundings. In addition, sensitivity is mostly improved and ambiguity in assignment experiments reduced. We show here that, in the solid state, sequential amide-to-amide correlations turn out to be an excellent, complementary way to exploit amide shifts for unambiguous backbone assignment. For a general assessment, we compare amide-to-amide experiments with the more common 13 C-shift-based methods. Exploiting efficient CP magnetization transfers rather than less efficient INEPT periods, our results suggest that the approach is very feasible for solid-state NMR
International Nuclear Information System (INIS)
Chiolerio, Alessandro; Allia, Paolo; Graziano, Mariagrazia
2012-01-01
Physical limitations foreshadow the eventual end to traditional Complementary Metal Oxide Semiconductor (CMOS) scaling. Therefore, interest has turned to various materials and technologies aimed to succeed to traditional CMOS. Magnetic Quantum dot Cellular Automata (MQCA) are one of these technologies. Working MQCA arrays require very complex techniques and an excellent control on the geometry of the nanomagnets and on the quality of the magnetic thin film, thus limiting the possibility for MQCA of representing a definite solution to cost-effective, high density and low power consumption device demand. Counter-intuitively, moving towards bigger sizes and lighter technologies it is still possible to develop multi-state logic devices, as we demonstrated, whose main advantage is cost-effectiveness. Applications may be seen in low cost logic devices where integration and computational power are not the main issue, eventually using flexible substrates and taking advantage of the intrinsic mechanical toughness of systems where long range interactions do not need wirings. We realized cobalt micrometric MQCA arrays by means of Electron Beam Lithography, exploiting cost-effective processes such as lift-off and RF sputtering that usually are avoided due to their low control on array geometry and film roughness. Information relative to the magnetic configuration of MQCA elements including their eventual magnetic interactions was obtained from Magnetic Force Microscope (MFM) images, enhanced by means of a numerical procedure and presented in differential maps. We report the existence of bi-stable magnetic patterns, as detected by MFM while sampling the z-component of magnetic induction field, arising from dipolar inter-element magnetostatic coupling, able to store and propagate binary information. This is achieved despite the array quality and element magnetic state, which are low and multi-domain, respectively. We discuss in detail shape, inter-element spacing and dot profile
Energy Technology Data Exchange (ETDEWEB)
Soh, Wee Tee, E-mail: a0046479@u.nus.edu [Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Tay, Z.J. [Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Yakovlev, N.L. [Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602 (Singapore); Peng, Bin [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Ong, C.K. [Center for Superconducting and Magnetic Materials, Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Temasek Laboratories, National University of Singapore, 5A Engineering Drive 2, Singapore 117411 (Singapore)
2017-03-15
The characteristics of the static and dynamic components of the dipolar fields originating from a bulk polycrystalline yttrium iron garnet (YIG) substrate are probed by depositing a NiFe (Permalloy) layer on it, which acts as a detector. By measuring dc voltages generated via spin rectification effect (SRE) within the NiFe layer under microwave excitation, we characterize the influence of dipolar fields from bulk YIG on the NiFe layer. It is found that the dynamic YIG dipolar fields modify the self-SRE of NiFe, driving its own rectification voltages within the NiFe layer, an effect we term as non-local SRE. This non-local SRE only occurs near the simultaneous resonance of both YIG and NiFe. On the other hand, the static dipolar field from YIG manifests itself as a negative anisotropy in the NiFe layer which shifts the latter’s ferromagnetic resonance frequency. - Highlights: • We demonstrate the quantification of both the static and dynamic components of the dipolar fields due to a YIG slab. • The detection and characterisation of such dipolar fields are important in many magnetic applications such as magnonics. • The dipolar fields can pose potential pitfalls if not properly considered in certain spin-electronics systems.
Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects
International Nuclear Information System (INIS)
Urban, Jeffry Todd
2004-01-01
Experimental and theoretical research conducted in two areas in the field of nuclear magnetic resonance (NMR) spectroscopy is presented: (1) studies of the coherent quantum-mechanical control of the angular momentum dynamics of quadrupolar (spin I > 1/2) nuclei and its application to the determination of molecular structure; and (2) applications of the long-range nuclear dipolar field to novel NMR detection methodologies.The dissertation is organized into six chapters. The first two chapters and associated appendices are intended to be pedagogical and include an introduction to the quantum mechanical theory of pulsed NMR spectroscopy and the time dependent theory of quantum mechanics. The third chapter describes investigations of the solid-state multiple-quantum magic angle spinning (MQMAS) NMR experiment applied to I 5/2 quadrupolar nuclei. This work reports the use of rotary resonance-matched radiofrequency irradiation for sensitivity enhancement of the I = 5/2 MQMAS experiment. These experiments exhibited certain selective line narrowing effects which were investigated theoretically.The fourth chapter extends the discussion of multiple quantum spectroscopy of quadrupolar nuclei to a mostly theoretical study of the feasibility of enhancing the resolution of nitrogen-14 NMR of large biomolecules in solution via double-quantum spectroscopy. The fifth chapter continues to extend the principles of multiple quantum NMR spectroscopy of quadrupolar nuclei to make analogies between experiments in NMR/nuclear quadrupolar resonance (NQR) and experiments in atomic/molecular optics (AMO). These analogies are made through the Hamiltonian and density operator formalism of angular momentum dynamics in the presence of electric and magnetic fields.The sixth chapter investigates the use of the macroscopic nuclear dipolar field to encode the NMR spectrum of an analyte nucleus indirectly in the magnetization of a sensor nucleus. This technique could potentially serve as an encoding
Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects
Energy Technology Data Exchange (ETDEWEB)
Urban, Jeffry Todd [Univ. of California, Berkeley, CA (United States)
2004-01-01
Experimental and theoretical research conducted in two areas in the field of nuclear magnetic resonance (NMR) spectroscopy is presented: (1) studies of the coherent quantum-mechanical control of the angular momentum dynamics of quadrupolar (spin I > 1/2) nuclei and its application to the determination of molecular structure; and (2) applications of the long-range nuclear dipolar field to novel NMR detection methodologies.The dissertation is organized into six chapters. The first two chapters and associated appendices are intended to be pedagogical and include an introduction to the quantum mechanical theory of pulsed NMR spectroscopy and the time dependent theory of quantum mechanics. The third chapter describes investigations of the solid-state multiple-quantum magic angle spinning (MQMAS) NMR experiment applied to I = 5/2 quadrupolar nuclei. This work reports the use of rotary resonance-matched radiofrequency irradiation for sensitivity enhancement of the I = 5/2 MQMAS experiment. These experiments exhibited certain selective line narrowing effects which were investigated theoretically.The fourth chapter extends the discussion of multiple quantum spectroscopy of quadrupolar nuclei to a mostly theoretical study of the feasibility of enhancing the resolution of nitrogen-14 NMR of large biomolecules in solution via double-quantum spectroscopy. The fifth chapter continues to extend the principles of multiple quantum NMR spectroscopy of quadrupolar nuclei to make analogies between experiments in NMR/nuclear quadrupolar resonance (NQR) and experiments in atomic/molecular optics (AMO). These analogies are made through the Hamiltonian and density operator formalism of angular momentum dynamics in the presence of electric and magnetic fields.The sixth chapter investigates the use of the macroscopic nuclear dipolar field to encode the NMR spectrum of an analyte nucleus indirectly in the magnetization of a sensor nucleus. This technique could potentially serve as an
Valeriani, M; Restuccia, D; Di Lazzaro, V; Le Pera, D; Barba, C; Tonali, P; Mauguiere, F
1998-06-01
Brain electrical source analysis (BESA) of the scalp electroencephalographic activity is well adapted to distinguish neighbouring cerebral generators precisely. Therefore, we performed dipolar source modelling in scalp medium nerve somatosensory evoked potentials (SEPs) recorded at 1.5-Hz stimulation rate, where all the early components should be identifiable. We built a four-dipole model, which was issued from the grand average, and applied it also to recordings from single individuals. Our model included a dipole at the base of the skull and three other perirolandic dipoles. The first of the latter dipoles was tangentially oriented and was active at the same latencies as the N20/P20 potential and, with opposite polarity, the P24/N24 response. The second perirolandic dipole showed an initial peak of activity slightly earlier than that of the N20/P20 dipolar source and, later, it was active at the same latency as the central P22 potential. Lastly, the third perirolandic dipole explaining the fronto-central N30 potential scalp distribution was constantly more posterior than the first one. In order to evaluate the effect of an increasing repetition frequency on the activity of SEP dipolar sources, we applied the model built from 1.5-Hz SEPs to traces recorded at 3-Hz and 10-Hz repetition rates. We found that the 10-Hz stimulus frequency reduced selectively the later of the two activity phases of the first perirolandic dipole. The decrement in strength of this dipolar source can be explained if we assume that: (a) the later activity of the first perirolandic dipole can represent the inhibitory phase of a "primary response"; (b) two different clusters of cells generate the opposite activities of the tangential perirolandic dipole. An additional finding in our model was that two different perirolandic dipoles contribute to the centro-parietal N20 potential generation.
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.
Dynamic effects of dipolar interactions on the magnetic behavior of magnetite nanoparticles
Allia, Paolo; Tiberto, Paola
2011-12-01
Isothermal magnetization and initial dc susceptibility of spheroidal, nearly monodisperse magnetite nanoparticles (typical diameter: 8 nm) prepared by a standard thermo-chemical route have been measured between 10 and 300 K. The samples contained magnetite nanoparticles in the form of either a dried powder (each nanoparticle being surrounded by a stable oleic acid shell as a result of the preparation procedure) or a solid dispersion in PEGDA-600 polymer; different nanoparticle (NP) concentrations in the polymer were studied. In all samples the NPs were not tightly agglomerated nor their ferromagnetic cores were directly touching. The high-temperature inverse magnetic susceptibility is always found to follow a linear law as a function of T, crossing the horizontal axis at negative temperatures ranging from 175 to about 1,000 K. The deviation from the standard superparamagnetic behavior is related to dipolar interaction among NPs; however, a careful analysis makes it hard to conclude that such a behavior originates from a dominant antiferromagnetic character of the interaction. The results are well explained considering that the studied samples are in the interacting superparamagnetic (ISP) regime. The ISP model is basically a mean field theory which allows one to straightforwardly account for the role of magnetic dipolar interaction in a NP system. The model predicts the existence of specific scaling laws for the reduced magnetization which have been confirmed in all studied samples. The interaction of each magnetic dipole moment with the local, random dipolar field produced by the other dipoles results in the presence of a large fluctuating energy term whose magnitude is comparable to the static barrier for magnetization reversal/rotation related to magnetic anisotropy. On the basis of the existing theories on thermal crossing of a barrier whose height randomly fluctuates in time it is predicted that the rate of barrier crossing is substantially driven by the rate
Dipolar quantum gases of erbium
International Nuclear Information System (INIS)
Frisch, A.
2014-01-01
. The corresponding elastic cross section predicted by the theory of universal dipolar scattering scales only with the particle's mass and its magnetic moment and is temperature independent. This represents a dramatic difference compared to non-dipolar fermions, which exhibit a rapidly vanishing elastic cross section at lower temperatures. Another distinctive feature of erbium is its spectrum of Feshbach resonances. Using bosonic erbium we observed an enormous density of resonances exceeding that of alkali metals by at least a factor of ten. We statistically analyzed the spectrum in terms of the random matrix theory and demonstrated that the resonances bare a strong correlation to each other. We identify the origin of this correlation in the highly anisotropic van der Waals interaction potential of erbium. This is a phenomenon not previously encountered in ultracold quantum gases. At the many-body level we observed the d-wave collapse of the Bose-Einstein condensate as previously observed in the chromium experiment in Stuttgart. With the dipolar Fermi gas we demonstrated that the Fermi surface deforms into an ellipsoid induced by the action of the dipole-dipole interaction in momentum space. (author) [de
Dipolar and spinor bosonic systems
Yukalov, V. I.
2018-05-01
The main properties and methods of describing dipolar and spinor atomic systems, composed of bosonic atoms or molecules, are reviewed. The general approach for the correct treatment of Bose-condensed atomic systems with nonlocal interaction potentials is explained. The approach is applied to Bose-condensed systems with dipolar interaction potentials. The properties of systems with spinor interaction potentials are described. Trapped atoms and atoms in optical lattices are considered. Effective spin Hamiltonians for atoms in optical lattices are derived. The possibility of spintronics with cold atom is emphasized. The present review differs from the previous review articles by concentrating on a thorough presentation of basic theoretical points, helping the reader to better follow mathematical details and to make clearer physical conclusions.
Energy Technology Data Exchange (ETDEWEB)
Finley, Adam J.; Matt, Sean P., E-mail: af472@exeter.ac.uk [University of Exeter (UK), Department of Physics and Astronomy, Stoker Road, Devon, Exeter, EX4 4QL (United Kingdom)
2017-08-10
Cool stars with outer convective envelopes are observed to have magnetic fields with a variety of geometries, which on large scales are dominated by a combination of the lowest-order fields such as the dipole, quadrupole, and octupole modes. Magnetized stellar wind outflows are primarily responsible for the loss of angular momentum from these objects during the main sequence. Previous works have shown the reduced effectiveness of the stellar wind braking mechanism with increasingly complex but singular magnetic field geometries. In this paper, we quantify the impact of mixed dipolar and quadrupolar fields on the spin-down torque using 50 MHD simulations with mixed fields, along with 10 each of the pure geometries. The simulated winds include a wide range of magnetic field strength and reside in the slow-rotator regime. We find that the stellar wind braking torque from our combined geometry cases is well described by a broken power-law behavior, where the torque scaling with field strength can be predicted by the dipole component alone or the quadrupolar scaling utilizing the total field strength. The simulation results can be scaled and apply to all main-sequence cool stars. For solar parameters, the lowest-order component of the field (dipole in this paper) is the most significant in determining the angular momentum loss.
Thermodynamics of Dipolar Chain Systems
DEFF Research Database (Denmark)
R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.
2012-01-01
The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects...... numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments....
Effects of dilution on the magnetic ordering of a two-dimensional lattice of dipolar magnets
International Nuclear Information System (INIS)
Patchedjiev, S M; Whitehead, J P; De'Bell, K
2005-01-01
Monte Carlo simulations are used to study the effects of dilution by random vacancies on the phenomenon of order arising from disorder in an ultrathin magnetic film. At very low concentrations of vacancies, both the collinear ordered phase observed in the undiluted system and the microvortex state are observed, and the boundary on which the reorientation transition between these states occurs is found to be consistent with the predictions of earlier work. However, even at vacancy densities as low as 0.5% there is evidence that the vacancies result in a energy landscape with a number of very nearly degenerate minima
Independent EEG sources are dipolar.
Directory of Open Access Journals (Sweden)
Arnaud Delorme
Full Text Available Independent component analysis (ICA and blind source separation (BSS methods are increasingly used to separate individual brain and non-brain source signals mixed by volume conduction in electroencephalographic (EEG and other electrophysiological recordings. We compared results of decomposing thirteen 71-channel human scalp EEG datasets by 22 ICA and BSS algorithms, assessing the pairwise mutual information (PMI in scalp channel pairs, the remaining PMI in component pairs, the overall mutual information reduction (MIR effected by each decomposition, and decomposition 'dipolarity' defined as the number of component scalp maps matching the projection of a single equivalent dipole with less than a given residual variance. The least well-performing algorithm was principal component analysis (PCA; best performing were AMICA and other likelihood/mutual information based ICA methods. Though these and other commonly-used decomposition methods returned many similar components, across 18 ICA/BSS algorithms mean dipolarity varied linearly with both MIR and with PMI remaining between the resulting component time courses, a result compatible with an interpretation of many maximally independent EEG components as being volume-conducted projections of partially-synchronous local cortical field activity within single compact cortical domains. To encourage further method comparisons, the data and software used to prepare the results have been made available (http://sccn.ucsd.edu/wiki/BSSComparison.
Thermodynamics of Dipolar Chain Systems
International Nuclear Information System (INIS)
Armstrong, J.R.; Zinner, N.T.; Fedorov, D.V.; Jensen, A.S.
2013-01-01
The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects of the intralayer repulsion and quantum statistical requirements in systems with more than one chain. Specifically, we consider the case of two chains and solve the problem analytically within the harmonic Hamiltonian approach which is accurate for large dipole moments. The case of three chains is calculated numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments. (author)
Yavari, H.; Mokhtari, M.
2014-03-01
The effects of impurity and Bose-Fermi interactions on the transition temperature of a dipolar Bose-Einstein condensation in trapped Bose-Fermi mixture, by using the two-fluid model, are investigated. The shift of the transition temperature consists of four contributions due to contact, Bose-Fermi, dipole-dipole, and impurity interactions. We will show that in the presence of an anisotropic trap, the Bose-Fermi correction to the shift of transition temperature due to the excitation spectra of the thermal part is independent of anisotropy factor. Applying our results to trapped Bose-Fermi mixtures shows that, by knowing the impurity effect, the shift of the transition temperature due to Bose-Fermi interaction could be measured for isotropic trap (dipole-dipole contributions is zero) and Feshbach resonance technique (contact potential contribution is negligible).
Sethy, Dasaratha; Chakraborty, Hirak
2016-10-01
The interfacial properties of the membrane are exceptionally vital in drug-membrane interaction. They not only select out a particular prototropic form of the drug molecule for incorporation, but are also potent enough to induce structural switchover of these drugs in several cases. In this work, we quantitatively monitored the change in dipolar rearrangement of the micellar interface (as a simplified membrane mimic) by measuring the dielectric constant and dipole potential with the micellization of SDS at pH 3.6. The dielectric constant and dipole potential were measured utilizing the fluorescence of polarity sensitive probe, pyrene and potential-sensitive probe, di-8-ANEPPS, respectively. Our study demonstrates that the change in dipolar rearrangement directly influences the switchover equilibrium between the anionic and neutral from of piroxicam. We have further extended our work to evaluate the effect of hydrophobic chain length of the surfactants on the dipolar rearrangement and its effect on the structural switchover of piroxicam. It is interesting that the extent of switchover of piroxicam is directly correlated with the dipolar rearrangement induced bythe varying hydrophobic chain length of the surfactants. To the best of our knowledge, our results constitute the first report to show the dependence of dipole potential on the hydrophobic chain length of the surfactant and demonstrate that the dipolar rearrangement directly tunes the extent of structural switchover of piroxicam, which was so far only intuitive. We consider that this new finding would have promising implication in drug distribution and drug efficacy. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.
The quantum coherence of disordered dipolar bosonic gas
International Nuclear Information System (INIS)
Wang Jiguo; Zhang Aixia; Tang Rongan; Gao Jimin; Xue Jukui
2013-01-01
We investigate the coherence of correlated dipolar gas in the presence of disorder within a three-site Bose–Hubbard model. We show that the interplay between the on-site interaction, the inter-site dipole–dipole interactions (DDI) and the disorder exhibits new and interesting coherence characters that cannot take place in a non-dipolar system. The ratio between the on-site interaction and DDI plays a dominant role in the phase coherence. The resonance character of the coherence against both disorder and interactions emerges. DDI can enhance the coherence at certain values of the disorder and on-site interaction. In the coherence region, the enhancement of the coherence by disorder in a dipolar system is more significant than that in a non-dipolar system. In particular, the on-site interaction and DDI together can enhance the coherence even in the clean dipolar system (i.e. a dipolar system without disorder). However, without the on-site interaction, disorder, DDI or both together suppress the coherence. Furthermore, the relationship between the coherence and the energy gap and the compressibility of the system is also discussed. (paper)
Long-range dipolar order and dispersion forces in polar liquids
Besford, Quinn Alexander; Christofferson, Andrew Joseph; Liu, Maoyuan; Yarovsky, Irene
2017-11-01
Complex solvation phenomena, such as specific ion effects, occur in polar liquids. Interpretation of these effects in terms of structure and dispersion forces will lead to a greater understanding of solvation. Herein, using molecular dynamics, we probe the structure of polar liquids through specific dipolar pair correlation functions that contribute to the potential of mean force that is "felt" between thermally rotating dipole moments. It is shown that unique dipolar order exists at separations at least up to 20 Å for all liquids studied. When the structural order is compared with a dipolar dispersion force that arises from local co-operative enhancement of dipole moments, a strong agreement is found. Lifshitz theory of dispersion forces was compared with the structural order, where the theory is validated for all liquids that do not have significant local dipole correlations. For liquids that do have significant local dipole correlations, specifically liquid water, Lifshitz theory underestimates the dispersion force by a factor of 5-10, demonstrating that the force that leads to the increased structure in liquid water is missed by Lifshitz theory of van der Waals forces. We apply similar correlation functions to an ionic aqueous system, where long-range order between water's dipole moment and a single chloride ion is found to exist at 20 Å of separation, revealing a long-range perturbation of water's structure by an ion. Furthermore, we found that waters within the 1st, 2nd, and 3rd solvation shells of a chloride ion exhibit significantly enhanced dipolar interactions, particularly with waters at larger distances of separation. Our results provide a link between structures, dispersion forces, and specific ion effects, which may lead to a more robust understanding of solvation.
Propagation of Dipolarization Signatures Observed by the Van Allen Probes in the Inner Magnetosphere
Ohtani, S.; Motoba, T.; Gkioulidou, M.; Takahashi, K.; Kletzing, C.
2017-12-01
Dipolarization, the change of the local magnetic field from a stretched to a more dipolar configuration, is one of the most fundamental processes of magnetospheric physics. It is especially critical for the dynamics of the inner magnetosphere. The associated electric field accelerates ions and electrons and transports them closer to Earth. Such injected ions intensify the ring current, and electrons constitute the seed population of the radiation belt. Those ions and electrons may also excite various waves that play important roles in the enhancement and loss of the radiation belt electrons. Despite such critical consequences, the general characteristics of dipolarization in the inner magnetosphere still remain to be understood. The Van Allen Probes mission, which consists of two probes that orbit through the equatorial region of the inner magnetosphere, provides an ideal opportunity to examine dipolarization signatures in the core of the ring current. In the present study we investigate the spatial expansion of the dipolarization region by examining the correlation and time delay of dipolarization signatures observed by the two probes. Whereas in general it requires three-point measurements to deduce the propagation of a signal on a certain plane, we statically examined the observed time delays and found that dipolarization signatures tend to propagate radially inward as well as away from midnight. In this paper we address the propagation of dipolarization signatures quantitatively and compare with the propagation velocities reported previously based on observations made farther away from Earth. We also discuss how often and under what conditions the dipolarization region expands.
Luttinger hydrodynamics of confined one-dimensional Bose gases with dipolar interactions
International Nuclear Information System (INIS)
Citro, R; Palo, S De; Orignac, E; Pedri, P; Chiofalo, M-L
2008-01-01
Ultracold bosonic and fermionic quantum gases confined to quasi-one-dimensional (1D) geometry are promising candidates for probing fundamental concepts of Luttinger liquid (LL) physics. They can also be exploited for devising applications in quantum information processing and precision measurements. Here, we focus on 1D dipolar Bose gases, where evidence of super-strong coupling behavior has been demonstrated by analyzing the low-energy static and dynamical structures of the fluid at zero temperature by a combined reptation quantum Monte Carlo (RQMC) and bosonization approach. Fingerprints of LL behavior emerge in the whole crossover from the already strongly interacting Tonks-Girardeau at low density to a dipolar density wave regime at high density. We have also shown that a LL framework can be effectively set up and utilized to describe this strongly correlated crossover physics in the case of confined 1D geometries after using the results for the homogeneous system in LL hydrodynamic equations within a local density approximation. This leads to the prediction of observable quantities such as the frequencies of the collective modes of the trapped dipolar gas under the more realistic conditions that could be found in ongoing experiments. The present paper provides a description of the theoretical framework in which the above results have been worked out, making available all the detailed derivations of the hydrodynamic Luttinger equations for the inhomogeneous trapped gas and of the correlation functions for the homogeneous system
Perturbation theories for the dipolar fluids
International Nuclear Information System (INIS)
Lee, L.L.; Chung, T.H.
1983-01-01
We derive here four different perturbation equations for the calculation of the angular pair correlation functions of dipolar fluids; namely, the first order y-expansion, the modified Percus--Yevik (MPY) expansion, the modified hypernetted chain (MHNC) expansion, and the modified linearized hypernetted chain (MLHNC) equation. Both the method of the functional expansion and the method of the cluster integrals are utilized. Comparison with other perturbation theories (e.g., the Melnyk--Smith equation) is made. While none of the theories is exact, as shown by the cluster diagrams, the MLHNC and the MHNC contain more diagrams than, say, the MPY and y-expansion. The y-expansion equation can be improved by including the correction terms to the Kirkwood superposition approximation for the triplet correlation function. For example, the inclusion of the correction term rho∫d4h(14)h(24)h(34) in a formula given by Henderson, is shown to improve substantially the y-expansion equation. We examine the performance of two of the theories: the y-expansion and the MLHNC equation for a Stockmayer (dipolar) fluid with a reduced dipole moment μ/sup asterisk2/ [ = μ 2 /(epsilonsigma 3 )] = 1.0. Comparison with Monte Carlo simulation results of Adams et al. and with other theories (e.g., the QHNC equation) shows that our results are reasonable. Further improvements of the equations are also pointed out
Dipolar ferromagnets and glasses (invited)
International Nuclear Information System (INIS)
Rosenbaum, T.F.; Wu, W.; Ellman, B.; Yang, J.; Aeppli, G.; Reich, D.H.
1991-01-01
What is the ground state and what are the dynamics of 10 23 randomly distributed Ising spins? We have attempted to answer these questions through magnetic susceptibility, calorimetric, and neutron scattering studies of the randomly diluted dipolar-coupled Ising magnet LiHo x Y 1-x F 4 . The material is ferromagnetic for dipole concentrations at least as low as x=0.46, with a Curie temperature obeying mean-field scaling relative to that of pure LiHoF 4 . In the dilute spin limit, an x=0.045 crystal shows very unusual glassy properties characterized by decreasing barriers to relaxation as T→0. Its properties are consistent with a single low degeneracy ground state with a large gap for excitations. A slightly more concentrated x=0.167 sample, however, supports a complex ground state with no appreciable gap, in accordance with prevailing theories of spin glasses. The underlying causes of such disparate behavior are discussed in terms of random clusters as probed by neutron studies of the x=0.167 sample. In addition to tracing the evolution of the glassy and ferromagnetic states with dipole concentration, we investigate the effects of a transverse magnetic field on the Ising spin glass, LiHo 0.167 Y 0.833 F 4 . The transverse field mixes the eigenfunctions of the ground-state Ising doublet with the otherwise inaccessible excited-state levels. We observe a rapid decrease in the characteristic relaxation times, large changes in the spectral form of the relaxation, and a depression of the spin-glass transition temperature with the addition of quantum fluctuations
Quantum Fluctuations in Quasi-One-Dimensional Dipolar Bose-Einstein Condensates.
Edler, D; Mishra, C; Wächtler, F; Nath, R; Sinha, S; Santos, L
2017-08-04
Recent experiments have revealed that beyond-mean-field corrections are much more relevant in weakly interacting dipolar condensates than in their nondipolar counterparts. We show that in quasi-one-dimensional geometries quantum corrections in dipolar and nondipolar condensates are strikingly different due to the peculiar momentum dependence of the dipolar interactions. The energy correction of the condensate presents not only a modified density dependence, but it may even change from attractive to repulsive at a critical density due to the surprising role played by the transversal directions. The anomalous quantum correction translates into a strongly modified physics for quantum-stabilized droplets and dipolar solitons. Moreover, and for similar reasons, quantum corrections of three-body correlations, and hence of three-body losses, are strongly modified by the dipolar interactions. This intriguing physics can be readily probed in current experiments with magnetic atoms.
Magnetization behavior of ferrofluids with cryogenically imaged dipolar chains
International Nuclear Information System (INIS)
Klokkenburg, M; Erne, B H; Mendelev, V; Ivanov, A O
2008-01-01
Theories and simulations have demonstrated that field-induced dipolar chains affect the static magnetic properties of ferrofluids. Experimental verification, however, has been complicated by the high polydispersity of the available ferrofluids, and the morphology of the dipolar chains was left to the imagination. We now present the concentration- and field-dependent magnetization of particularly well-defined ferrofluids, with a low polydispersity, three different average particle sizes, and with dipolar chains that were imaged with and without magnetic field using cryogenic transmission electron microscopy. At low concentrations, the magnetization curves obey the Langevin equation for noninteracting dipoles. Magnetization curves for the largest particles strongly deviate from the Langevin equation but quantitatively agree with a recently developed mean-field model that incorporates the field-dependent formation and alignment of flexible dipolar chains. The combination of magnetic results and in situ electron microscopy images provides original new evidence for the effect of dipolar chains on the field-dependent magnetization of ferrofluids
Lu, George J; Son, Woo Sung; Opella, Stanley J
2011-04-01
A general method for assigning oriented sample (OS) solid-state NMR spectra of proteins is demonstrated. In principle, this method requires only a single sample of a uniformly ¹⁵N-labeled membrane protein in magnetically aligned bilayers, and a previously assigned isotropic chemical shift spectrum obtained either from solution NMR on micelle or isotropic bicelle samples or from magic angle spinning (MAS) solid-state NMR on unoriented proteoliposomes. The sequential isotropic resonance assignments are transferred to the OS solid-state NMR spectra of aligned samples by correlating signals from the same residue observed in protein-containing bilayers aligned with their normals parallel and perpendicular to the magnetic field. The underlying principle is that the resonances from the same residue have heteronuclear dipolar couplings that differ by exactly a factor of two between parallel and perpendicular alignments. The method is demonstrated on the membrane-bound form of Pf1 coat protein in phospholipid bilayers, whose assignments have been previously made using an earlier generation of methods that relied on the preparation of many selectively labeled (by residue type) samples. The new method provides the correct resonance assignments using only a single uniformly ¹⁵N-labeled sample, two solid-state NMR spectra, and a previously assigned isotropic spectrum. Significantly, this approach is equally applicable to residues in alpha helices, beta sheets, loops, and any other elements of tertiary structure. Moreover, the strategy bridges between OS solid-state NMR of aligned samples and solution NMR or MAS solid-state NMR of unoriented samples. In combination with the development of complementary experimental methods, it provides a step towards unifying these apparently different NMR approaches. Copyright © 2011 Elsevier Inc. All rights reserved.
International Nuclear Information System (INIS)
Mamica, S; Krawczyk, M; Lévy, J-C S
2014-01-01
We use a microscopic theory taking into account the dipolar and nearest-neighbour exchange interactions for exploring spin-wave excitations in two-dimensional magnetic dots in the vortex state. Normal modes of different profiles are observed: azimuthal and radial modes, as well as fundamental (quasiuniform) and highly localized modes. We examine the dependence of the frequencies and profiles of these modes on the dipolar-to-exchange interaction ratio and the size of the dot. Special attention is paid to some particular modes, including the lowest mode in the spectrum and the evolution of its profile, and the fundamental mode, the frequency of which proves almost independent of the dipolar-to-exchange interaction ratio. We also provide a selective overview of the experimental, analytical and numerical results from the literature, where different profiles of the lowest mode are reported. We attribute this diversity to the competition between the dipolar and exchange interactions. Finally, we study the hybridization of the modes, show the multi-mode hybridization and explain the selection rules. (paper)
Carroll, Gregory T.; London, Gabor; Fernández Landaluce, Tatiana; Rudolf, Petra; Feringa, Ben L.
We report the attachment of altitudinal light-driven molecular motors to surfaces using 1,3-dipolar cycloaddition reactions. Molecular motors were designed containing azide or alkyne groups for attachment to alkyne- or azide-modified surfaces. Surface attachment was characterized by UV-vis, IR, XPS,
Nonlocal and nonlinear electrostatics of a dipolar Coulomb fluid.
Sahin, Buyukdagli; Ralf, Blossey
2014-07-16
We study a model Coulomb fluid consisting of dipolar solvent molecules of finite extent which generalizes the point-like dipolar Poisson-Boltzmann model (DPB) previously introduced by Coalson and Duncan (1996 J. Phys. Chem. 100 2612) and Abrashkin et al (2007 Phys. Rev. Lett. 99 077801). We formulate a nonlocal Poisson-Boltzmann equation (NLPB) and study both linear and nonlinear dielectric response in this model for the case of a single plane geometry. Our results shed light on the relevance of nonlocal versus nonlinear effects in continuum models of material electrostatics.
Kapranov, Sergey V.; Kouzaev, Guennadi A.
2018-01-01
Variations of effective diffusion coefficient of polar molecules exposed to microwave electric fields in a surface potential are studied by solving coupled stochastic differential equations of motion with a deterministic component of the surface force. Being an essential tool for the simulation interpretation, a theoretical approach to effective diffusion in surface potential is first developed. The effective diffusion coefficient is represented as the product of the normal diffusion coefficient and potential-dependent correction function, whose temperature dependence is close to the Arrhenius form. The analytically found zero-diffusion condition defines the state of thermal equilibrium at the surface. The diffusion of a water-like dipole molecule in the potential of graphite surface is simulated in the field-free conditions and in the presence of the alternating electric fields of various magnitude intensities and frequencies. Temperature dependence of the correction function exhibits field-induced variations of the effective Lennard-Jones energy parameter. It demonstrates maximum departure from the zero-field value at certain frequencies and intensities, which is associated with variations in the rotational dynamics. A concept of the amplitude-frequency resonance put forward to interpret the simulation results is explained using a heuristic reasoning and is corroborated by semi-quantitative considerations in terms of the Dissado-Hill cluster theory of dielectric relaxation.
Dipolarization Fronts from Reconnection Onset
Sitnov, M. I.; Swisdak, M. M.; Merkin, V. G.; Buzulukova, N.; Moore, T. E.
2012-12-01
Dipolarization fronts observed in the magnetotail are often viewed as signatures of bursty magnetic reconnection. However, until recently spontaneous reconnection was considered to be fully prohibited in the magnetotail geometry because of the linear stability of the ion tearing mode. Recent theoretical studies showed that spontaneous reconnection could be possible in the magnetotail geometries with the accumulation of magnetic flux at the tailward end of the thin current sheet, a distinctive feature of the magnetotail prior to substorm onset. That result was confirmed by open-boundary full-particle simulations of 2D current sheet equilibria, where two magnetotails were separated by an equilibrium X-line and weak external electric field was imposed to nudge the system toward the instability threshold. To investigate the roles of the equilibrium X-line, driving electric field and other parameters in the reconnection onset process we performed a set of 2D PIC runs with different initial settings. The investigated parameter space includes the critical current sheet thickness, flux tube volume per unit magnetic flux and the north-south component of the magnetic field. Such an investigation is critically important for the implementation of kinetic reconnection onset criteria into global MHD codes. The results are compared with Geotail visualization of the magnetotail during substorms, as well as Cluster and THEMIS observations of dipolarization fronts.
Designing Hysteresis with Dipolar Chains
Concha, Andrés; Aguayo, David; Mellado, Paula
2018-04-01
Materials that have hysteretic response to an external field are essential in modern information storage and processing technologies. A myriad of magnetization curves of several natural and artificial materials have previously been measured and each has found a particular mechanism that accounts for it. However, a phenomenological model that captures all the hysteresis loops and at the same time provides a simple way to design the magnetic response of a material while remaining minimal is missing. Here, we propose and experimentally demonstrate an elementary method to engineer hysteresis loops in metamaterials built out of dipolar chains. We show that by tuning the interactions of the system and its geometry we can shape the hysteresis loop which allows for the design of the softness of a magnetic material at will. Additionally, this mechanism allows for the control of the number of loops aimed to realize multiple-valued logic technologies. Our findings pave the way for the rational design of hysteretical responses in a variety of physical systems such as dipolar cold atoms, ferroelectrics, or artificial magnetic lattices, among others.
Octupole correlation effects in nuclei
International Nuclear Information System (INIS)
Chasman, R.R.
1992-01-01
Octupole correlation effects in nuclei are discussed from the point of view of many-body wavefunctions as well as mean-field methods. The light actinides, where octupole effects are largest, are considered in detail. Comparisons of theory and experiment are made for energy splittings of parity doublets; E1 transition matrix elements and one-nucleon transfer reactions
Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids
International Nuclear Information System (INIS)
Abedinpour, Saeed H.; Asgari, Reza; Tanatar, B.; Polini, Marco
2014-01-01
We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler–Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the “pair amplitude” √(g(r)), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow–Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree–Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation–dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density–density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings. -- Highlights: •We have studied the ground state properties of a strongly correlated two-dimensional fluid of dipolar fermions. •We have calculated the effective inter-particle interaction and the dynamical density–density response function. •We have shown that an undamped zero sound mode exists at any value of the interaction strength
International Nuclear Information System (INIS)
Demene, Helene; Ducat, Thierry; Barthe, Philippe; Delsuc, Marc-Andre; Roumestand, Christian
2002-01-01
The present study deals with the relevance of using mobility-averaged dipolar couplings for the structure refinement of flexible proteins. The 68-residue protein p8 MTCP1 has been chosen as model for this study. Its solution state consists mainly of three α-helices. The two N-terminal helices are strapped in a well-determined α-hairpin, whereas, due to an intrinsic mobility, the position of the third helix is less well defined in the NMR structure. To further characterize the degrees of freedom of this helix, we have measured the dipolar coupling constants in the backbone of p8 MTCP1 in a bicellar medium. We show here that including D HN dip dipolar couplings in the structure calculation protocol improves the structure of the α-hairpin but not the positioning of the third helix. This is due to the motional averaging of the dipolar couplings measured in the last helix. Performing two calculations with different force constants for the dipolar restraints highlights the inconstancy of these mobility-averaged dipolar couplings. Alternatively, prior to any structure calculations, comparing the values of the dipolar couplings measured in helix III to values back-calculated from an ideal helix demonstrates that they are atypical for a helix. This can be partly attributed to mobility effects since the inclusion of the 15 N relaxation derived order parameter allows for a better fit
Many-body formation and dissociation of a dipolar chain crystal
International Nuclear Information System (INIS)
You, Jhih-Shih; Wang, Daw-Wei
2014-01-01
We propose an experimental scheme to effectively assemble chains of dipolar gases with a uniform length in a multi-layer system. The obtained dipolar chains can form a chain crystal with the system temperature easily controlled by the initial lattice potential and the external field strength during processing. When the density of chains increases, we further observe a second order quantum phase transition for the chain crystal to be dissociated toward layers of 2D crystal, where the quantum fluctuation dominates the classical energy and the compressibility diverges at the phase boundary. The experimental implication of such a dipolar chain crystal and its quantum phase transition is also discussed. (paper)
Evaluation of magnetic dipolar terms in molecules
International Nuclear Information System (INIS)
Muniz, R.B.; Brandi, H.S.; Maffeo, B.
1977-01-01
The magnetic dipolar parameter b for several values of the internuclear distance in the molecule F 2 - is evaluated. The difficulties appearing in the calculations are discussed and a manner to overcome them is presented [pt
International Nuclear Information System (INIS)
Ivanov, Evgeniy V.; Smirnov, Valeriy I.
2010-01-01
The enthalpies of solution of ordinary (H 2 O) and heavy (D 2 O) water in nitromethane (NM), acetonitrile (ACN) and propylene carbonate (PC) were measured calorimetrically at 298.15 K. Standard (at the infinite dilution) enthalpies of solution and solvation, along with D 2 O-H 2 O solute isotope effects on the quantities in question, were calculated. The enthalpies of solution of water H/D isotopologues were found to be positive by sign and substantially increasing in magnitude on going from ACN and PC to NM, whereas the corresponding positive solute H/D isotope effect changes in a consequence: NM > ACN > PC. The qualitative interrelations between the enthalpy-isotopic effect of dissolution (solvation) of water and the electron-accepting/donating ability of aprotic dipolar solvent (within a series considered) were found.
Structures and dynamics in a two-dimensional dipolar dust particle system
Hou, X. N.; Liu, Y. H.; Kravchenko, O. V.; Lapushkina, T. A.; Azarova, O. A.; Chen, Z. Y.; Huang, F.
2018-05-01
The effects of electric dipole moment, the number of dipolar particles, and system temperature on the structures and dynamics of a dipolar dust particle system are studied by molecular dynamics simulations. The results show that the larger electric dipole moment is favorable for the formation of a long-chain structure, the larger number of dipolar dust particles promotes the formation of the multi-chain structure, and the higher system temperature can cause higher rotation frequency. The trajectories, mean square displacement (MSD), and the corresponding spectrum functions of the MSDs are also calculated to illustrate the dynamics of the dipolar dust particle system, which is also closely related to the growth of dust particles. Some simulations are qualitatively in agreement with our experiments and can provide a guide for the study on dust growth, especially on the large-sized particles.
Thermal entanglement and teleportation in a dipolar interacting system
Energy Technology Data Exchange (ETDEWEB)
Castro, C.S., E-mail: ccastro@if.uff.br [Instituto de Física, Universidade Federal Fluminense, Av. Gal. Milton Tavares de Souza s/n, Gragoatá, 24210-346 Niterói, RJ (Brazil); Centro de Formação de Professores, Universidade Federal do Recôncavo da Bahia, Av. Nestor de Mello Pita, n. 535, 45.300-000 Amargosa, BA (Brazil); Duarte, O.S.; Pires, D.P.; Soares-Pinto, D.O. [Instituto de Física de São Carlos, Universidade de São Paulo, P.O. Box 369, São Carlos, 13560-970 SP (Brazil); Reis, M.S. [Instituto de Física, Universidade Federal Fluminense, Av. Gal. Milton Tavares de Souza s/n, Gragoatá, 24210-346 Niterói, RJ (Brazil)
2016-04-22
Quantum teleportation, which depends on entangled states, is a fascinating subject and an important branch of quantum information processing. The present work reports the use of a dipolar spin thermal system as a noisy quantum channel to perform quantum teleportation. Non-locality, tested by violation of Bell's inequality and thermal entanglement, measured by negativity, shows that for the present model all entangled states, even those that do not violate Bell's inequality, are useful for teleportation. - Highlights: • The effects of a dipolar interaction between two spins on their degree of entanglement and non-locality is reported. • The model presents some degree of non-locality and entanglement at a given coupling parameters. • It is shown how the magnetic anisotropies can influence the fidelity of teleportation.
Longitudinal expansion of field line dipolarization
Saka, O.; Hayashi, K.
2017-11-01
We examine the substorm expansions that started at 1155 UT 10 August 1994 in the midnight sector focusing on the longitudinal (eastward) expansion of field line dipolarization in the auroral zone. Eastward expansion of the dipolarization region was observed in all of the H, D, and Z components. The dipolarization that started at 1155 UT (0027 MLT) from 260° of geomagnetic longitude (CMO) expanded to 351°(PBQ) in about 48 min. The expansion velocity was 0.03-0.04°/s, or 1.9 km/s at 62°N of geomagnetic latitude. The dipolarization region expanding to the east was accompanied by a bipolar event at the leading edge of the expansion in latitudes equatorward of the westward electrojet (WEJ). In the midnight sector at the onset meridian, the Magnetospheric Plasma Analyzer (MAP) on board geosynchronous satellite L9 measured electrons and ions between 10 eV and 40 keV. We conclude from the satellite observations that this dipolarization was characterized by the evolution of temperature anisotropies, an increase of the electron and ion temperatures, and a rapid change in the symmetry axis of the temperature tensor. The field line dipolarization and its longitudinal expansion were interpreted in terms of the slow MHD mode triggered by the current disruption. We propose a new magnetosphere-ionosphere coupling (MI-coupling) mechanism based on the scenario that transmitted westward electric fields from the magnetosphere in association with expanding dipolarization produced electrostatic potential (negative) in the ionosphere through differences in the mobility of collisional ions and collisionless electrons. The field-aligned currents that emerged from the negative potential region are arranged in a concentric pattern around the negative potential region, upward toward the center and downward on the peripheral.
The phase transition in the anisotropic Heisenberg model with long range dipolar interactions
International Nuclear Information System (INIS)
Mól, L.A.S.; Costa, B.V.
2014-01-01
In this work we have used extensive Monte Carlo calculations to study the planar to paramagnetic phase transition in the two-dimensional anisotropic Heisenberg model with dipolar interactions (AHd) considering the true long-range character of the dipolar interactions by means of the Ewald summation. Our results are consistent with an order–disorder phase transition with unusual critical exponents in agreement with our previous results for the Planar Rotator model with dipolar interactions. Nevertheless, our results disagree with the Renormalization Group results of Maier and Schwabl [Phys. Rev. B, 70, 134430 (2004)] [13] and the results of Rapini et al. [Phys. Rev. B, 75, 014425 (2007)] [12], where the AHd was studied using a cut-off in the evaluation of the dipolar interactions. We argue that besides the long-range character of dipolar interactions their anisotropic character may have a deeper effect in the system than previously believed. Besides, our results show that the use of a cut-off radius in the evaluation of dipolar interactions must be avoided when analyzing the critical behavior of magnetic systems, since it may lead to erroneous results. - Highlights: • The anisotropic Heisenberg model with dipolar interactions is studied. • True long-range interactions were considered by means of Ewald summation. • We found an order–disorder phase transition with unusual critical exponents. • Previous results show a different behavior when a cut-off radius is introduced. • The use of a cut-off radius must be avoided when dealing with dipolar systems
Dipolar modulation of Large-Scale Structure
Yoon, Mijin
For the last two decades, we have seen a drastic development of modern cosmology based on various observations such as the cosmic microwave background (CMB), type Ia supernovae, and baryonic acoustic oscillations (BAO). These observational evidences have led us to a great deal of consensus on the cosmological model so-called LambdaCDM and tight constraints on cosmological parameters consisting the model. On the other hand, the advancement in cosmology relies on the cosmological principle: the universe is isotropic and homogeneous on large scales. Testing these fundamental assumptions is crucial and will soon become possible given the planned observations ahead. Dipolar modulation is the largest angular anisotropy of the sky, which is quantified by its direction and amplitude. We measured a huge dipolar modulation in CMB, which mainly originated from our solar system's motion relative to CMB rest frame. However, we have not yet acquired consistent measurements of dipolar modulations in large-scale structure (LSS), as they require large sky coverage and a number of well-identified objects. In this thesis, we explore measurement of dipolar modulation in number counts of LSS objects as a test of statistical isotropy. This thesis is based on two papers that were published in peer-reviewed journals. In Chapter 2 [Yoon et al., 2014], we measured a dipolar modulation in number counts of WISE matched with 2MASS sources. In Chapter 3 [Yoon & Huterer, 2015], we investigated requirements for detection of kinematic dipole in future surveys.
Aghamohammadi, Mahdieh; Rödel, Reinhold; Zschieschang, Ute; Ocal, Carmen; Boschker, Hans; Weitz, R Thomas; Barrena, Esther; Klauk, Hagen
2015-10-21
The mechanisms behind the threshold-voltage shift in organic transistors due to functionalizing of the gate dielectric with self-assembled monolayers (SAMs) are still under debate. We address the mechanisms by which SAMs determine the threshold voltage, by analyzing whether the threshold voltage depends on the gate-dielectric capacitance. We have investigated transistors based on five oxide thicknesses and two SAMs with rather diverse chemical properties, using the benchmark organic semiconductor dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene. Unlike several previous studies, we have found that the dependence of the threshold voltage on the gate-dielectric capacitance is completely different for the two SAMs. In transistors with an alkyl SAM, the threshold voltage does not depend on the gate-dielectric capacitance and is determined mainly by the dipolar character of the SAM, whereas in transistors with a fluoroalkyl SAM the threshold voltages exhibit a linear dependence on the inverse of the gate-dielectric capacitance. Kelvin probe force microscopy measurements indicate this behavior is attributed to an electronic coupling between the fluoroalkyl SAM and the organic semiconductor.
Ultracold Dipolar Gases in Optical Lattices
Trefzger, C.; Menotti, C.; Capogrosso-Sansone, B.; Lewenstein, M.
2011-01-01
This tutorial is a theoretical work, in which we study the physics of ultra-cold dipolar bosonic gases in optical lattices. Such gases consist of bosonic atoms or molecules that interact via dipolar forces, and that are cooled below the quantum degeneracy temperature, typically in the nK range. When such a degenerate quantum gas is loaded into an optical lattice produced by standing waves of laser light, new kinds of physical phenomena occur. These systems realize then extended Hubbard-type m...
Dipolar interaction in arrays of magnetic nanotubes
International Nuclear Information System (INIS)
Velázquez-Galván, Y; Martínez-Huerta, J M; Encinas, A; De La Torre Medina, J; Danlée, Y; Piraux, L
2014-01-01
The dipolar interaction field in arrays of nickel nanotubes has been investigated on the basis of expressions derived from the effective demagnetizing field of the assembly as well as magnetometry measurements. The model incorporates explicitly the wall thickness and aspect ratio, as well as the spatial order of the nanotubes. The model and experiment show that the interaction field in nanotubes is smaller than that in solid nanowires due to the packing fraction reduction in tubes related to their inner cavity. Finally, good agreement between the model and experiment is found for the variation of the interaction field as a function of the tube wall thickness. (paper)
Synchronization of spin torque nano-oscillators through dipolar interactions
International Nuclear Information System (INIS)
Chen, Hao-Hsuan; Wu, Jong-Ching; Horng, Lance; Lee, Ching-Ming; Chang, Ching-Ray; Chang, Jui-Hang
2014-01-01
In an array of spin-torque nano-oscillators (STNOs) that combine a perpendicular polarized fixed layer with strong in-plane anisotropy in the free layers, magnetic dipolar interactions can effectively phase-lock the array, thus further enhancing the power of the output microwave signals. We perform a qualitative analysis of the synchronization of an array based on the Landau-Lifshitz-Gilbert equation, with a spin-transfer torque that assumes strong in-plane anisotropy. Finally, we present the numerical results for four coupled STNOs to provide further evidence for the proposed theory
Synchronization of spin torque nano-oscillators through dipolar interactions
Energy Technology Data Exchange (ETDEWEB)
Chen, Hao-Hsuan, E-mail: d95222014@ntu.edu.tw; Wu, Jong-Ching, E-mail: phjcwu@cc.ncue.edu.tw; Horng, Lance [Department of Physics, National Changhua University of Education, Changhua 500, Taiwan (China); Lee, Ching-Ming [Graduate School of Materials Science, National Yunlin University of Science and Technology, Douliou, 64002, Taiwan (China); Chang, Ching-Ray, E-mail: crchang@phys.ntu.edu.tw; Chang, Jui-Hang [Department of Physics and Center for Quantum Sciences and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)
2014-04-07
In an array of spin-torque nano-oscillators (STNOs) that combine a perpendicular polarized fixed layer with strong in-plane anisotropy in the free layers, magnetic dipolar interactions can effectively phase-lock the array, thus further enhancing the power of the output microwave signals. We perform a qualitative analysis of the synchronization of an array based on the Landau-Lifshitz-Gilbert equation, with a spin-transfer torque that assumes strong in-plane anisotropy. Finally, we present the numerical results for four coupled STNOs to provide further evidence for the proposed theory.
Evidence for several dipolar quasi-invariants in liquid crystals
Bonin, C. J.; González, C. E.; Segnorile, H. H.; Zamar, R. C.
2013-10-01
The quasi-equilibrium states of an observed quantum system involve as many constants of motion as the dimension of the operator basis which spans the blocks of all the degenerate eigenvalues of the Hamiltonian that drives the system dynamics, however, the possibility of observing such quasi-invariants in solid-like spin systems in Nuclear Magnetic Resonance (NMR) is not a strictly exact prediction. The aim of this work is to provide experimental evidence of several quasi-invariants, in the proton NMR of small spin clusters, like nematic liquid crystal molecules, in which the use of thermodynamic arguments is not justified. We explore the spin states prepared with the Jeener-Broekaert pulse sequence by analyzing the time-domain signals yielded by this sequence as a function of the preparation times, in a variety of dipolar networks, solids, and liquid crystals. We observe that the signals can be explained with two dipolar quasi-invariants only within a range of short preparation times, however at longer times liquid crystal signals show an echo-like behaviour whose description requires assuming more quasi-invariants. We study the multiple quantum coherence content of such signals on a basis orthogonal to the z-basis and see that such states involve a significant number of correlated spins. Therefore, we show that the NMR signals within the whole preparation time-scale can only be reconstructed by assuming the occurrence of multiple quasi-invariants which we experimentally isolate.
Finite-size corrections in simulation of dipolar fluids
Belloni, Luc; Puibasset, Joël
2017-12-01
Monte Carlo simulations of dipolar fluids are performed at different numbers of particles N = 100-4000. For each size of the cubic cell, the non-spherically symmetric pair distribution function g(r,Ω) is accumulated in terms of projections gmnl(r) onto rotational invariants. The observed N dependence is in very good agreement with the theoretical predictions for the finite-size corrections of different origins: the explicit corrections due to the absence of fluctuations in the number of particles within the canonical simulation and the implicit corrections due to the coupling between the environment around a given particle and that around its images in the neighboring cells. The latter dominates in fluids of strong dipolar coupling characterized by low compressibility and high dielectric constant. The ability to clean with great precision the simulation data from these corrections combined with the use of very powerful anisotropic integral equation techniques means that exact correlation functions both in real and Fourier spaces, Kirkwood-Buff integrals, and bridge functions can be derived from box sizes as small as N ≈ 100, even with existing long-range tails. In the presence of dielectric discontinuity with the external medium surrounding the central box and its replica within the Ewald treatment of the Coulombic interactions, the 1/N dependence of the gmnl(r) is shown to disagree with the, yet well-accepted, prediction of the literature.
The structure of the interface in the solvent mediated interaction of dipolar surfaces
International Nuclear Information System (INIS)
Dzhavakhidze, P.G.; Levadny, V.G.
1987-08-01
Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dipolar layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note we discuss the role of solvation of surface dipolar groups. We propose an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance if the surface dipolar groups are immersed deep enough in the solvent and how the long-range oscillative mode disappears when the surface is but weakly solvated. (author). 35 refs, 5 figs
International Nuclear Information System (INIS)
Fries, P.
1978-01-01
In order to study the intermolecular relaxation due to magnetic dipolar interactions, we calculate the spectral densities resulting from random translational and rotational motions of spherical molecules carrying off-centre spins. The relative translational motion is treated in the frame-work of a general diffusion equation (the Smoluchowski equation) which takes into account the existence of effective forces between the molecules. This model implies a pair correlation function. i.e. a non unifom relative distribution of the molecules. The analytical calculations are carried out by taking correctly into account the hard sphere boundary conditions for the molecules. Explicit numerical calculations of the spectral densities are performed using finite difference methods and the pair correlation function of Verlet and Weiss obtained by computer experiments. The resulting calculations allow one to interpret the relaxation exhibited by benzene and some of its monohalogen derivatives which has been measured by Jonas et al. at various pressures. The effects of pair correlation and eccentricity contribute to a noticeable enhancement of the spectral densities, especially as the frequency increases. The translational correlation times calculated from the Stokes formula and those deduced from intermolecular relaxation studies are compared. It is shown that in order to distinguish which of the dynamical models is appropriate, measurements must be made as a function of frequency [fr
Heterogeneous dipolar theory of the exponential pile
International Nuclear Information System (INIS)
Mastrangelo, P.V.
1981-01-01
We present a heterogeneous theory of the exponential pile, closely related to NORDHEIM-SCALETTAR's. It is well adapted to lattice whose pitch is relatively large (D-2O, grahpite) and the dimensions of whose channels are not negligible. The anisotropy of neutron diffusion is taken into account by the introduction of dipolar parameters. We express the contribution of each channel to the total flux in the moderator by means of multipolar coefficients. In order to be able to apply conditions of continuity between the flux and their derivatives, on the side of the moderator, we develop in a Fourier series the fluxes found at the periphery of each channel. Using Wronski's relations of Bessel's functions, we express the multipolar coefficients of the surfaces of each channel, on the side of the moderator, by means of the harmonics of each flux and their derivatives. We retain only monopolar (A 0 sub(g)) and dipolar (A 1 sub(g)) coefficients; those of a higher order are ignored. We deduce from these coefficients the systems of homogeneous equations of the exponential pile with monopoles on their own and monopoles plus dipoles. It should be noted that the systems of homogeneous equations of the critical pile are contained in those of the exponential pile. In another article, we develop the calculation of monopolar and dipolar heterogeneous parameters. (orig.)
Dipolar Antiferromagnetism and Quantum Criticality in LiErF4
International Nuclear Information System (INIS)
Kraemer, Conradin; Nikseresht, Neda; Piatek, Julian; Tsyrulin, Nikolay; Piazza, Bastien; Kiefer, Klaus; Klemke, Bastian; Rosenbaum, Thomas; Aeppli, Gabriel; Gannarelli, Che; Prokes, Karel; Straessle, Thierry; Keller, Lukas; Zaharko, Oksana; Kraemer, Karl; Ronnow, Henrik
2012-01-01
Magnetism has been predicted to occur in systems in which dipolar interactions dominate exchange. We present neutron scattering, specific heat, and magnetic susceptibility data for LiErF 4 , establishing it as a model dipolar-coupled antiferromagnet with planar spin-anisotropy and a quantum phase transition in applied field H c# parallel# = 4.0 ± 0.1 kilo-oersteds. We discovered non-mean-field critical scaling for the classical phase transition at the antiferromagnetic transition temperature that is consistent with the two-dimensional XY/h 4 universality class; in accord with this, the quantum phase transition at H c exhibits three-dimensional classical behavior. The effective dimensional reduction may be a consequence of the intrinsic frustrated nature of the dipolar interaction, which strengthens the role of fluctuations.
McGrath, Nicholas A.
2012-01-01
Diazo compounds, which can be accessed directly from azides by deimidogenation, are shown to be extremely versatile dipoles in 1,3-dipolar cycloaddition reactions with a cyclooctyne. The reactivity of a diazo compound can be much greater or much less than its azide analog, and is enhanced markedly in polar-protic solvents. These reactivities are predictable from frontier molecular orbital energies. The most reactive diazo compound exhibited the highest known second-order rate constant to date for a dipolar cycloaddition with a cycloalkyne. These data provide a new modality for effecting chemoselective reactions in a biological context. PMID:23227302
Existence of solitary waves in dipolar quantum gases
Antonelli, Paolo; Sparber, Christof
2011-01-01
We study a nonlinear Schrdinger equation arising in the mean field description of dipolar quantum gases. Under the assumption of sufficiently strong dipolar interactions, the existence of standing waves, and hence solitons, is proved together with some of their properties. This gives a rigorous argument for the possible existence of solitary waves in BoseEinstein condensates, which originate solely due to the dipolar interaction between the particles. © 2010 Elsevier B.V. All rights reserved.
Existence of solitary waves in dipolar quantum gases
Antonelli, Paolo
2011-02-01
We study a nonlinear Schrdinger equation arising in the mean field description of dipolar quantum gases. Under the assumption of sufficiently strong dipolar interactions, the existence of standing waves, and hence solitons, is proved together with some of their properties. This gives a rigorous argument for the possible existence of solitary waves in BoseEinstein condensates, which originate solely due to the dipolar interaction between the particles. © 2010 Elsevier B.V. All rights reserved.
Wang, Kaiti; Lin, Ching-Huei; Wang, Lu-Yin; Hada, Tohru; Nishimura, Yukitoshi; Turner, Drew L.; Angelopoulos, Vassilis
2014-12-01
Changes in pitch angle distributions of electrons with energies from a few eV to 1 MeV at dipolarization sites in Earth's magnetotail are investigated statistically to determine the extent to which adiabatic acceleration may contribute to these changes. Forty-two dipolarization events from 2008 and 2009 observed by Time History of Events and Macroscale Interactions during Substorms probes covering the inner plasma sheet from 8 RE to 12 RE during geomagnetic activity identified by the AL index are analyzed. The number of observed events with cigar-type distributions (peaks at 0° and 180°) decreases sharply below 1 keV after dipolarization because in many of these events, electron distributions became more isotropized. From above 1 keV to a few tens of keV, however, the observed number of cigar-type events increases after dipolarization and the number of isotropic events decreases. These changes can be related to the ineffectiveness of Fermi acceleration below 1 keV (at those energies, dipolarization time becomes comparable to electron bounce time). Model-calculated pitch angle distributions after dipolarization with the effect of betatron and Fermi acceleration tested indicate that these adiabatic acceleration mechanisms can explain the observed patterns of event number changes over a large range of energies for cigar events and isotropic events. Other factors still need to be considered to assess the observed increase in cigar events around 2 keV. Indeed, preferential directional increase/loss of electron fluxes, which may contribute to the formation of cigar events, was observed. Nonadiabatic processes to accelerate electrons in a parallel direction may also be important for future study.
Effective capacity of correlated MISO channels
Zhong, Caijun
2011-06-01
This paper presents an analytical performance investigation of the capacity limits of correlated multiple-input single-output (MISO) channels in the presence of quality-of-service (QoS) requirements. Exact closed-form expression for the effective capacity of correlated MISO channels is derived. In addition, simple expressions are obtained at the asymptotic high and low signal-to-noise ratio (SNR) regimes, which provide insights into the impact of various system parameters on the effective capacity of the system. Also, a complete characterization of the impact of spatial correlation on the effective capacity is provided with the aid of a majorization theory result. The findings suggest that antenna correlation reduce the effective capacity of the channels. Moreover, a stringent QoS requirement causes a significant reduction in the effective capacity but this can be effectively alleviated by increasing the number of antennas. © 2011 IEEE.
Hidden magnetism in periodically modulated one dimensional dipolar fermions
Fazzini, S.; Montorsi, A.; Roncaglia, M.; Barbiero, L.
2017-12-01
The experimental realization of time-dependent ultracold lattice systems has paved the way towards the implementation of new Hubbard-like Hamiltonians. We show that in a one-dimensional two-components lattice dipolar Fermi gas the competition between long range repulsion and correlated hopping induced by periodically modulated on-site interaction allows for the formation of hidden magnetic phases, with degenerate protected edge modes. The magnetism, characterized solely by string-like nonlocal order parameters, manifests in the charge and/or in the spin degrees of freedom. Such behavior is enlighten by employing Luttinger liquid theory and numerical methods. The range of parameters for which hidden magnetism is present can be reached by means of the currently available experimental setups and probes.
Ultracold chromium: a dipolar quantum gas
International Nuclear Information System (INIS)
Pfau, T.; Stuhler, J.; Griesmaier, A.; Fattori, M.; Koch, T.
2005-01-01
We report on our recent achievement of a Bose-Einstein condensate in a gas of chromium atoms. Peculiar electronic and magnetic properties of chromium require the implementation of novel cooling strategies. We observe up to ∼ 10 5 condensed 52 Cr atoms after forced evaporation within a crossed optical dipole trap. Due to its large magnetic moment (6μ B ), the dipole-dipole interaction strength in chromium is comparable with the one of the van der Waals interaction. We prove the anisotropic nature of the dipolar interaction by releasing the condensate from a cigar shaped trap and observe, in time of flight measurements, the change of the aspect-ratio for different in-trap orientations of the atomic dipoles. We also report on the recent observation of 14 Feshbach resonances in elastic collisions between polarized ultra-cold 52 Cr atoms. This is the first Ballistic expansion of a dipolar quantum gas: The anisotropic interaction leads to a different expansion dynamics for the case of the magnetic dipoles aligned with the symmetry axis of the cigar shaped trap as compared with the dipoles oriented perpendicular to the axis of the cigar. The straight lines correspond to the theoretical expectation according to mean field theory without free parameters. observation of collisional Feshbach resonances in an atomic species with more than one valence electron. Moreover, such resonances constitute an important tool towards the realization of a purely dipolar interacting gas because they can be used to change strength and sign of the van der Waals interaction. (author)
Redundant correlation effect on personalized recommendation
Qiu, Tian; Han, Teng-Yue; Zhong, Li-Xin; Zhang, Zi-Ke; Chen, Guang
2014-02-01
The high-order redundant correlation effect is investigated for a hybrid algorithm of heat conduction and mass diffusion (HHM), through both heat conduction biased (HCB) and mass diffusion biased (MDB) correlation redundancy elimination processes. The HCB and MDB algorithms do not introduce any additional tunable parameters, but keep the simple character of the original HHM. Based on two empirical datasets, the Netflix and MovieLens, the HCB and MDB are found to show better recommendation accuracy for both the overall objects and the cold objects than the HHM algorithm. Our work suggests that properly eliminating the high-order redundant correlations can provide a simple and effective approach to accurate recommendation.
Surface correlation effects in two-band strongly correlated slabs.
Esfahani, D Nasr; Covaci, L; Peeters, F M
2014-02-19
Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/center to center/surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials.
Mechanism and regioselectivity of 1,3-dipolar cycloaddition ...
Indian Academy of Sciences (India)
1,3-Dipolar cycloaddition; sulphur-centred 1,3-dipoles; regioselectivity; DFT reactivity indices;. FMO theory. 1. Introduction. Five-membered heterocyclic compounds can be gene- rated by addition of a 1,3-dipole to a dipolarophile under a 1,3-dipolar cycloaddition (1,3-DC) reaction which is well known as pericyclic reaction.
Critical Time Crystals in Dipolar Systems.
Ho, Wen Wei; Choi, Soonwon; Lukin, Mikhail D; Abanin, Dmitry A
2017-07-07
We analyze the quantum dynamics of periodically driven, disordered systems in the presence of long-range interactions. Focusing on the stability of discrete time crystalline (DTC) order in such systems, we use a perturbative procedure to evaluate its lifetime. For 3D systems with dipolar interactions, we show that the corresponding decay is parametrically slow, implying that robust, long-lived DTC order can be obtained. We further predict a sharp crossover from the stable DTC regime into a regime where DTC order is lost, reminiscent of a phase transition. These results are in good agreement with the recent experiments utilizing a dense, dipolar spin ensemble in diamond [Nature (London) 543, 221 (2017)NATUAS0028-083610.1038/nature21426]. They demonstrate the existence of a novel, critical DTC regime that is stabilized not by many-body localization but rather by slow, critical dynamics. Our analysis shows that the DTC response can be used as a sensitive probe of nonequilibrium quantum matter.
Cluster and Double Star observations of dipolarization
Directory of Open Access Journals (Sweden)
R. Nakamura
2005-11-01
Full Text Available We studied two types of dipolarization events with different IMF conditions when Cluster and Double Star (TC-1 were located in the same local time sector: 7 August 2004, 18:00-24:00 UT, during a disturbed southward/northward IMF interval, and 14 August 2004, 21:00-24:00 UT, when the IMF was stably northward. Cluster observed dipolarization as well as fast flows during both intervals, but this was not the case for TC-1. For both events the satellites crossed near the conjugate location of the MIRACLE stations. By using multi-point analysis techniques, the direction/speed of the propagation is determined using Cluster and is then compared with the disturbances at TC-1 to discuss its spatial/temporal scale. The propagation direction of the B_{Z} disturbance at Cluster was mainly dawnward with a tailward component for 7 August and with a significant Earthward component for 14 August associated with fast flows. We suggest that the role of the midtail fast flows can be quite different in the dissipation process depending on the condition of the IMF and resultant configuration of the tail.
Nonlinear localized modes in dipolar Bose–Einstein condensates in two-dimensional optical lattices
International Nuclear Information System (INIS)
Rojas-Rojas, Santiago; Naether, Uta; Delgado, Aldo; Vicencio, Rodrigo A.
2016-01-01
Highlights: • We study discrete two-dimensional breathers in dipolar Bose–Einstein Condensates. • Important differences in the properties of three fundamental modes are found. • Norm threshold for existence of 2D breathers varies with dipolar interaction. • The Effective Potential Method is implemented for stability analysis. • Uncommon mobility of 2D discrete solitons is observed. - Abstract: We analyze the existence and properties of discrete localized excitations in a Bose–Einstein condensate loaded into a periodic two-dimensional optical lattice, when a dipolar interaction between atoms is present. The dependence of the Number of Atoms (Norm) on the energy of solutions is studied, along with their stability. Two important features of the system are shown, namely, the absence of the Norm threshold required for localized solutions to exist in finite 2D systems, and the existence of regions in the parameter space where two fundamental solutions are simultaneously unstable. This feature enables mobility of localized solutions, which is an uncommon feature in 2D discrete nonlinear systems. With attractive dipolar interaction, a non-trivial behavior of the Norm dependence is obtained, which is well described by an analytical model.
Nonlinear localized modes in dipolar Bose–Einstein condensates in two-dimensional optical lattices
Energy Technology Data Exchange (ETDEWEB)
Rojas-Rojas, Santiago, E-mail: srojas@cefop.cl [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Naether, Uta [Instituto de Ciencia de Materiales de Aragón and Departamento de Física de la Materia Condensada, CSIC-Universidad de Zaragoza, 50009 Zaragoza (Spain); Delgado, Aldo [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Vicencio, Rodrigo A. [Center for Optics and Photonics and MSI-Nucleus on Advanced Optics, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile)
2016-09-16
Highlights: • We study discrete two-dimensional breathers in dipolar Bose–Einstein Condensates. • Important differences in the properties of three fundamental modes are found. • Norm threshold for existence of 2D breathers varies with dipolar interaction. • The Effective Potential Method is implemented for stability analysis. • Uncommon mobility of 2D discrete solitons is observed. - Abstract: We analyze the existence and properties of discrete localized excitations in a Bose–Einstein condensate loaded into a periodic two-dimensional optical lattice, when a dipolar interaction between atoms is present. The dependence of the Number of Atoms (Norm) on the energy of solutions is studied, along with their stability. Two important features of the system are shown, namely, the absence of the Norm threshold required for localized solutions to exist in finite 2D systems, and the existence of regions in the parameter space where two fundamental solutions are simultaneously unstable. This feature enables mobility of localized solutions, which is an uncommon feature in 2D discrete nonlinear systems. With attractive dipolar interaction, a non-trivial behavior of the Norm dependence is obtained, which is well described by an analytical model.
The structure of the interface in the solvent-mediated interaction of dipolar surfaces
International Nuclear Information System (INIS)
Dzhavakhidze, P.G.; Kornyshev, A.A.; Levadny, V.G.
1988-01-01
Interaction of two dipolar surfaces separated by a polar medium is considered within the framework of nonlocal electrostatics. The dipolar-surface layers are modelled as regular lattices with fixed orientation of dipoles which are immersed into the solvent; solvent response is characterized by nonlocal dielectric function. The model is elaborated in order to reveal the role of the dypolar-layer discreteness in the electric field produced by one surface and the interaction between two surfaces (which gives rise to the so-called ''hydration'' or ''structural'' force acting between mineral surfaces and phospholipid bilayers). The discreteness effects are present only for commensurate lattices. Their special mutual arrangement then may lead to considerable reduction of structural forces, viz. the usual repulsion regime may change at short distances to attraction. Conditions are considered when repulsion is entirely replaced by attraction, i.e. the ''hydration barrier'' disappears. In appended note it is discussed the role of solvation of surface dipolar groups. It is proposed an explanation of why two modes of decay (one with oscillative fine structure) may be present in the dependence of the force upon distance, if the surface dipolar groups are immersed deep enough in the solvent, and how the long-range oscillative mode disappears when the surface is but weakly solvated
International Nuclear Information System (INIS)
Dahlke Ojennus, Deanna; Mitton-Fry, Rachel M.; Wuttke, Deborah S.
1999-01-01
Large residual 15 N- 1 H dipolar couplings have been measured in a Src homology II domain aligned at Pf1 bacteriophage concentrations an order of magnitude lower than used for induction of a similar degree of alignment of nucleic acids and highly acidic proteins. An increase in 1 H and 15 N protein linewidths and a decrease in T 2 and T 1 ρ relaxation time constants implicates a binding interaction between the protein and phage as the mechanism of alignment. However, the associated increased linewidth does not preclude the accurate measurement of large dipolar couplings in the aligned protein. A good correlation is observed between measured dipolar couplings and predicted values based on the high resolution NMR structure of the SH2 domain. The observation of binding-induced protein alignment promises to broaden the scope of alignment techniques by extending their applicability to proteins that are able to interact weakly with the alignment medium
Quantum simulation and quantum information processing with molecular dipolar crystals
International Nuclear Information System (INIS)
Ortner, M.
2011-01-01
In this thesis interactions between dipolar crystals and neutral atoms or separated molecules have been investigated. They were motivated to realize new kinds of lattice models in mixtures of atoms and polar molecules where an MDC functions as an underlying periodic lattice structure for the second species. Such models bring out the peculiar features of MDC's, that include a controllable, potentially sub-optical wavelength periodicity and strong particle phonon interactions. Only stable collisional configurations have been investigated, excluding chemical reactions between the substituents, and crystal distortions beyond the scope of perturbation theory. The system was treated in the polaron picture where particles of the second species are dressed by surrounding crystal phonons. To describe the competition between coherent and incoherent dynamics of the polarons, a master equation in the Brownian motion limit was used with phonons treated as a thermal heat bath. It was shown analytically that in a wide range of realistic parameters the corrections to the coherent time evolution are small, and that the dynamics of the dressed particles can be described by an effective extended Hubbard model with controllable system parameters. The last chapter of this thesis contains a proposal for QIP with cold polar molecules that, in contrast to previous works, uses an MDC as a quantum register. It was motivated by the unique features of dipolar molecules and to exploit the peculiar physical conditions in dipolar crystals. In this proposal the molecular dipole moments were tailored by non-local fields to include a small, switchable, state-dependent dipole moment in addition to the large internal state independent moment that stabilizes the crystal. It was shown analytically that a controllable, non-trivial phonon-mediated interaction can be generated that exceeds non-trivial, direct dipole-dipole couplings. The addressability problem due to high crystal densities was overcome by
Acousto-exciton interaction in a gas of 2D indirect dipolar excitons in the presence of disorder
Energy Technology Data Exchange (ETDEWEB)
Kovalev, V. M.; Chaplik, A. V., E-mail: chaplik@isp.nsc.ru [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation)
2016-03-15
A theory for the linear and quadratic responses of a 2D gas of indirect dipolar excitons to an external surface acoustic wave perturbation in the presence of a static random potential is considered. The theory is constructed both for high temperatures, definitely greater than the exciton gas condensation temperature, and at zero temperature by taking into account the Bose–Einstein condensation effects. The particle Green functions, the density–density correlation function, and the quadratic response function are calculated by the “cross” diagram technique. The results obtained are used to calculate the absorption of Rayleigh surface waves and the acoustic exciton gas drag by a Rayleigh wave. The damping of Bogoliubov excitations in an exciton condensate due to theirs scattering by a random potential has also been determined.
Layers of Cold Dipolar Molecules in the Harmonic Approximation
DEFF Research Database (Denmark)
R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.
2012-01-01
We consider the N-body problem in a layered geometry containing cold polar molecules with dipole moments that are polarized perpendicular to the layers. A harmonic approximation is used to simplify the hamiltonian and bound state properties of the two-body inter-layer dipolar potential are used...... to adjust this effective interaction. To model the intra-layer repulsion of the polar molecules, we introduce a repulsive inter-molecule potential that can be parametrically varied. Single chains containing one molecule in each layer, as well as multi-chain structures in many layers are discussed...... and their energies and radii determined. We extract the normal modes of the various systems as measures of their volatility and eventually of instability, and compare our findings to the excitations in crystals. We find modes that can be classified as either chains vibrating in phase or as layers vibrating against...
Synthesis of Spiroisoxazolines by 1,3-Dipolar Cycloaddition
Directory of Open Access Journals (Sweden)
Peter Ertl
1997-04-01
Full Text Available The cycloaddition of the chiral nitrile oxide 1 to 1-R-substituted 3,3-methylene-5,5-dimethyl-2-pyrrolidinones 2 (where R is H, n-butyl-, 1,1-dimethylethoxycarbonyl-, 1-methylethenyl- and acetyl- proceeds regioselectively under the formation of spiroisoxazolines, namely 7-R-substituted-6-oxo-8,8-dimethyl-1-oxa-2,7-diazaspiro[4,4]non-2-enes 5 and 6. The asymmetric induction expected by the a-chiral centre of the nitrile oxide 1 was not very effective, diastereoisomers 5 and 6 were formed in an approximate 50:50 ratio. The stereoselectivity of the 1,3-dipolar cycloaddition of the arylnitrile oxide 7 with the chiral lactam 3 and the achiral lactone 4 are investigated. The attack of the 1,3-dipole occurred from the less hindered face of the dipolarophile 3 and 4, giving the major isomer 8 and 10, respectively.
Nuclear dipolar magnetism around one microkelvin in calciumhydroxide
International Nuclear Information System (INIS)
Marks, J.
1985-01-01
This thesis is devoted to a study of dipolar magnetism of the proton spins in Ca(OH) 2 . First, cooling techniques are described. The energy of different spin configurations are calculated in the Weiss-field approximation. Crystallographic characteristics of Ca(OH) 2 are described, as well as a method to produce monocrystals and a method for crystal doping using 1.5 MeV electron beams. It is shown that the polarization mechanism of the proton spins in Ca(OH) 2 doped with O 2 - centra is the 'Solid Effect'. Susceptibility measurements are presented as a function of the polarization. Results imply that both at positive and at negative temperatures state ordering sets in, characterized by a plateau in the susceptibility. (Auth/G.J.P.)
Global study of quadrupole correlation effects
International Nuclear Information System (INIS)
Bender, M.; Bertsch, G.F.; Heenen, P.-H.
2006-01-01
We discuss the systematics of ground-state quadrupole correlations of binding energies and mean-square charge radii for all even-even nuclei, from 16 O up to the superheavies, for which data are available. To that aim we calculate their correlated J=0 ground state by means of the angular-momentum and particle-number projected generator coordinate method, using the axial mass quadrupole moment as the generator coordinate and self-consistent mean-field states restricted only by axial, parity, and time-reversal symmetries. The calculation is performed within the framework of a nonrelativistic self-consistent mean-field model by use of the same Skyrme interaction SLy4 and to a density-dependent pairing force to generate the mean-field configurations and to mix them. These are the main conclusions of our study: (i) The quadrupole correlation energy varies between a few 100 keV and about 5.5 MeV. It is affected by shell closures, but varies only slightly with mass and asymmetry. (ii) Projection on angular momentum J=0 provides the major part of the energy gain of up to about 4 MeV; all nuclei in the study, including doubly magic ones, gain energy by deformation. (iii) The mixing of projected states with different intrinsic axial deformations adds a few 100 keV up to 1.5 MeV to the correlation energy. (iv) Typically nuclei below mass A≤60 have a larger correlation energy than static deformation energy whereas the heavier deformed nuclei have larger static deformation energy than correlation energy. (v) Inclusion of the quadrupole correlation energy improves the description of mass systematics, particularly around shell closures, and of differential quantities, namely two-nucleon separation energies and two-nucleon gaps. The correlation energy provides an explanation of 'mutually enhanced magicity'. (vi) The correlation energy tends to decrease the shell effect on binding energies around magic numbers, but the magnitude of the suppression is not large enough to explain
Dipolar vortex structures in magnetized rotating plasma
International Nuclear Information System (INIS)
Liu Jixing
1990-01-01
Dipolar solitary vortices of both electrostatic and electromagnetic character in low-β, in homogeneous rotating plasma confined in a constant external magnetic field were systematically presented. The main stimulus to this investigation is the expectation to apply this coherent structure as a candidate constituent of plasma turbulance to understand the anomalous transport phenomena in confined plasma. The electrostatic vortices have similar structure and properties as the Rossby vortices in rotating fluids, the electromagnetic vortices obtained here have no analogy in hydrodynamics and hence are intrinsic to magnetized plasma. It is valuably remarked that the intrinsic electromagnetic vortices presented here have no discontinuity of perturbed magnetic field δB and parallel current j(parallel) on the border of vortex core. The existence region of the new type of vortex is found much narrower than the Rossby type one. (M.T.)
Characterizing Ion Flows Across a Dipolarization Front
Arnold, H.; Drake, J. F.; Swisdak, M.
2017-12-01
In light of the Magnetospheric Multiscale Mission (MMS) moving to study predominately symmetric magnetic reconnection in the Earth's magnetotail, it is of interest to investigate various methods for determining the relative location of the satellites with respect to the x line or a dipolarization front. We use a 2.5 dimensional PIC simulation to explore the dependence of various characteristics of a front, or flux bundle, on the width of the front in the dawn-dusk direction. In particular, we characterize the ion flow in the x-GSM direction across the front. We find a linear relationship between the width of a front, w, and the maximum velocity of the ion flow in the x-GSM direction, Vxi, for small widths: Vxi/VA=w/di*1/2*(mVA2)/Ti*Bz/Bxwhere m, VA, di, Ti, Bz, and Bx are the ion mass, upstream Alfven speed, ion inertial length, ion temperature, and magnetic fields in the z-GSM and x-GSM directions respectively. However, once the width reaches around 5 di, the relationship gradually approaches the well-known theoretical limit for ion flows, the upstream Alfven speed. Furthermore, we note that there is a reversal in the Hall magnetic field near the current sheet on the positive y-GSM side of the front. This reversal is most likely due to conservation of momentum in the y-GSM direction as the ions accelerate towards the x-GSM direction. This indicates that while the ions are primarily energized in the x-GSM direction by the front, they transfer energy to the electromagnetic fields in the y-GSM direction. The former energy transfer is greater than the latter, but the reversal of the Hall magnetic field drags the frozen-in electrons along with it outside of the front. These simulations should better able researchers to determine the relative location of a satellite crossing a dipolarization front.
Effective capacity of correlated MISO channels
Zhong, Caijun; Ratnarajah, Tharm; Wong, Kaikit; Alouini, Mohamed-Slim
2011-01-01
This paper presents an analytical performance investigation of the capacity limits of correlated multiple-input single-output (MISO) channels in the presence of quality-of-service (QoS) requirements. Exact closed-form expression for the effective
The role of magnetic field fluctuations in nonadiabatic acceleration of ions during dipolarization
Ono, Y.; Nosé, M.; Christon, S. P.; Lui, A. T. Y.
2009-05-01
We statistically examine changes in the composition of two different ion species, proton and oxygen ions, in the near-Earth plasma sheet (X = -16 R E ˜ -6 R E ) during substorm-associated dipolarization. We use 10 years of energetic (9-212 keV/e) ion data obtained by the suprathermal ion composition spectrometer (STICS) sensor of the energetic particles and ion composition (EPIC) instrument on board the Geotail spacecraft. The results are as follows: (1) Although the percentage increase in the energy density of O+ ions before and after a dipolarization exceeds that of H+ ions in the low-energy range (9-36 keV/e), this property is not evident in the high-energy range (56-212 keV/e); (2) the energy spectrum of H+ and that of O+ become harder after dipolarization in almost all events; and (3) in some events the energy spectrum of O+ becomes harder than that of H+ as reported by previous studies, and, importantly, in other events, the spectrum of H+ becomes harder than that of O+. In order to investigate what mechanism causes these observational results, we focus on magnetic field fluctuations during dipolarization. It is found that the increase of the spectrum slope is positively correlated with the power of waves whose frequencies are close to the gyrofrequency of H+ or O+, respectively (the correlation coefficient is 0.48 for H+ and 0.68 for O+). In conclusion, ions are nonadiabatically accelerated by the electric field induced by the magnetic field fluctuations whose frequencies are close to their gyrofrequencies.
Exact solutions for chemical bond orientations from residual dipolar couplings
International Nuclear Information System (INIS)
Wedemeyer, William J.; Rohl, Carol A.; Scheraga, Harold A.
2002-01-01
New methods for determining chemical structures from residual dipolar couplings are presented. The fundamental dipolar coupling equation is converted to an elliptical equation in the principal alignment frame. This elliptical equation is then combined with other angular or dipolar coupling constraints to form simple polynomial equations that define discrete solutions for the unit vector(s). The methods are illustrated with residual dipolar coupling data on ubiquitin taken in a single anisotropic medium. The protein backbone is divided into its rigid groups (namely, its peptide planes and C α frames), which may be solved for independently. A simple procedure for recombining these independent solutions results in backbone dihedral angles φ and ψ that resemble those of the known native structure. Subsequent refinement of these φ-ψ angles by the ROSETTA program produces a structure of ubiquitin that agrees with the known native structure to 1.1 A C α rmsd
Liu, Yu; Begin-Colin, Sylvie; Pichon, Benoît P; Leuvrey, Cedric; Ihiawakrim, Dris; Rastei, Mircea; Schmerber, Guy; Vomir, Mircea; Bigot, Jean Yves
2014-10-21
The dimensionality of assembled nanoparticles plays an important role in their optical and magnetic properties, via dipolar effects and the interaction with their environment. In this work we develop a methodology for distinguishing between two (2D) and three (3D) dimensional collective interactions on the surface plasmon resonance of assembled metal nanoparticles. Towards that goal, we elaborate different sets of Au and Ag nanoparticles as suspensions, random 3D arrangements and well organized 2D arrays. Then we model their scattering cross-section using effective field methods in dimension n, including interparticle as well as particle-substrate dipolar interactions. For this modelling, two effective field medium approaches are employed, taking into account the filling factors of the assemblies. Our results are important for realizing photonic amplifier devices.
A new dipolar potential for numerical simulations of polar fluids on the 4D hypersphere
International Nuclear Information System (INIS)
Caillol, Jean-Michel; Trulsson, Martin
2014-01-01
We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three-dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The point dipoles are constrained to remain tangent to the sphere and their interactions are derived from the basic laws of electrostatics in this geometry. The dipole-dipole potential has two singularities which correspond to the following boundary conditions: when a dipole leaves the northern hemisphere at some point of the equator, it reappears at the antipodal point bearing the same dipole moment. We derive all the formal expressions needed to obtain the thermodynamic and structural properties of a polar liquid at thermal equilibrium in actual numerical simulation. We notably establish the expression of the static dielectric constant of the fluid as well as the behavior of the pair correlation at large distances. We report and discuss the results of extensive numerical Monte Carlo simulations for two reference states of a fluid of dipolar hard spheres and compare these results with previous methods with a special emphasis on finite size effects
Asymptotic behavior of local dipolar fields in thin films
Energy Technology Data Exchange (ETDEWEB)
Bowden, G.J., E-mail: gjb@phys.soton.ac.uk [School of Physics and Astronomy, University of Southampton, SO17 1BJ (United Kingdom); Stenning, G.B.G., E-mail: Gerrit.vanderlaan@diamond.ac.uk [Magnetic Spectroscopy Group, Diamond Light Source, Didcot OX11 0DE (United Kingdom); Laan, G. van der, E-mail: gavin.stenning@stfc.ac.uk [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom)
2016-10-15
A simple method, based on layer by layer direct summation, is used to determine the local dipolar fields in uniformly magnetized thin films. The results show that the dipolar constants converge ~1/m where the number of spins in a square film is given by (2m+1){sup 2}. Dipolar field results for sc, bcc, fcc, and hexagonal lattices are presented and discussed. The results can be used to calculate local dipolar fields in films with either ferromagnetic, antiferromagnetic, spiral, exponential decay behavior, provided the magnetic order only changes normal to the film. Differences between the atomistic (local fields) and macroscopic fields (Maxwellian) are also examined. For the latter, the macro B-field inside the film is uniform and falls to zero sharply outside, in accord with Maxwell boundary conditions. In contrast, the local field for the atomistic point dipole model is highly non-linear inside and falls to zero at about three lattice spacing outside the film. Finally, it is argued that the continuum field B (used by the micromagnetic community) and the local field B{sub loc}(r) (used by the FMR community) will lead to differing values for the overall demagnetization energy. - Highlights: • Point-dipolar fields in uniformly magnetized thin films are characterized by just three numbers. • Maxwell's boundary condition is partially violated in the point-dipole approximation. • Asymptotic values of point dipolar fields in circular monolayers scale as π/r.
Energy Technology Data Exchange (ETDEWEB)
Li, Hai-ming; Liu, Shao-bin, E-mail: lsb@nuaa.edu.cn; Liu, Si-yuan; Ding, Guo-wen; Yang, Hua; Yu, Zhi-yang; Zhang, Hai-feng [Key Laboratory of Radar Imaging and Microwave Photonics, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016 (China); Wang, Shen-yun [Research Center of Applied Electromagnetic, Nanjing University of Information Science and Technology, Nanjing, 210044 (China)
2015-02-23
In this paper, a low-loss and high transmission analogy of electromagnetically induced transparency based on electric toroidal dipolar response is numerically and experimentally demonstrated. It is obtained by the excitation of the low-loss electric toroidal dipolar response, which confines the magnetic field inside a dielectric substrate with toroidal geometry. The metamaterial electromagnetically induced transparency (EIT) structure is composed of the cut wire and asymmetric split-ring resonators. The transmission level is as high as 0.88, and the radiation loss is greatly suppressed, which can be proved by the surface currents distributions, the magnetic field distributions, and the imaginary parts of the effective permeability and permittivity. It offers an effective way to produce low-loss and high transmission metamaterial EIT.
Dipolar particles in a double-trap confinement: Response to tilting the dipolar orientation
Bjerlin, J.; Bengtsson, J.; Deuretzbacher, F.; Kristinsdóttir, L. H.; Reimann, S. M.
2018-02-01
We analyze the microscopic few-body properties of dipolar particles confined in two parallel quasi-one-dimensional harmonic traps. In particular, we show that an adiabatic rotation of the dipole orientation about the trap axes can drive an initially nonlocalized few-fermion state into a localized state with strong intertrap pairing. With an instant, nonadiabatic rotation, however, localization is inhibited and a highly excited state is reached. This state may be interpreted as the few-body analog of a super-Tonks-Girardeau state, known from one-dimensional systems with contact interactions.
Dipolar dark matter with massive bigravity
International Nuclear Information System (INIS)
Blanchet, Luc; Heisenberg, Lavinia
2015-01-01
Massive gravity theories have been developed as viable IR modifications of gravity motivated by dark energy and the problem of the cosmological constant. On the other hand, modified gravity and modified dark matter theories were developed with the aim of solving the problems of standard cold dark matter at galactic scales. Here we propose to adapt the framework of ghost-free massive bigravity theories to reformulate the problem of dark matter at galactic scales. We investigate a promising alternative to dark matter called dipolar dark matter (DDM) in which two different species of dark matter are separately coupled to the two metrics of bigravity and are linked together by an internal vector field. We show that this model successfully reproduces the phenomenology of dark matter at galactic scales (i.e. MOND) as a result of a mechanism of gravitational polarisation. The model is safe in the gravitational sector, but because of the particular couplings of the matter fields and vector field to the metrics, a ghost in the decoupling limit is present in the dark matter sector. However, it might be possible to push the mass of the ghost beyond the strong coupling scale by an appropriate choice of the parameters of the model. Crucial questions to address in future work are the exact mass of the ghost, and the cosmological implications of the model
On nonlinear dynamics of a dipolar exciton BEC in two-layer graphene
International Nuclear Information System (INIS)
Berman, O.L.; Kezerashvili, R.Ya.; Kolmakov, G.V.
2012-01-01
The nonlinear dynamics of a Bose–Einstein condensate (BEC) of dipolar excitons in two-layer graphene is studied. It is demonstrated that a steady turbulent state is formed in this system. A comparison between the dynamics of the exciton BEC in two-layer graphene and those in GaAs/AlGaAs coupled quantum wells shows that turbulence is a general effect in a BEC.
Observation of plasmonic dipolar anti-bonding mode in silver nanoring structures
International Nuclear Information System (INIS)
Ye Jian; Van Dorpe, Pol; Lagae, Liesbet; Borghs, Gustaaf; Maes, Guido
2009-01-01
We report on a clear experimental observation of the plasmonic dipolar anti-bonding resonance in silver nanorings. The data can be explained effectively by the plasmon hybridization model, which is confirmed by the numerical calculations of the electromagnetic field and surface charge distribution profiles. The experimental demonstration of the plasmon hybridization model indicates its usefulness as a valuable tool to understand, design and predict optical properties of metallic nanostructures.
Observation of plasmonic dipolar anti-bonding mode in silver nanoring structures
Energy Technology Data Exchange (ETDEWEB)
Ye Jian; Van Dorpe, Pol; Lagae, Liesbet; Borghs, Gustaaf [Interuniversity Microelectronics Center (IMEC), Kapeldreef 75, B-3001 Leuven (Belgium); Maes, Guido, E-mail: Jian.Ye@imec.b [Chemistry Department, Katholieke Universiteit Leuven, Celestijnenlaan 200 F, B-3001 Leuven (Belgium)
2009-11-18
We report on a clear experimental observation of the plasmonic dipolar anti-bonding resonance in silver nanorings. The data can be explained effectively by the plasmon hybridization model, which is confirmed by the numerical calculations of the electromagnetic field and surface charge distribution profiles. The experimental demonstration of the plasmon hybridization model indicates its usefulness as a valuable tool to understand, design and predict optical properties of metallic nanostructures.
Observation of plasmonic dipolar anti-bonding mode in silver nanoring structures
Ye, Jian; Van Dorpe, Pol; Lagae, Liesbet; Maes, Guido; Borghs, Gustaaf
2009-11-01
We report on a clear experimental observation of the plasmonic dipolar anti-bonding resonance in silver nanorings. The data can be explained effectively by the plasmon hybridization model, which is confirmed by the numerical calculations of the electromagnetic field and surface charge distribution profiles. The experimental demonstration of the plasmon hybridization model indicates its usefulness as a valuable tool to understand, design and predict optical properties of metallic nanostructures.
Correlation effects in the iron pnictides
International Nuclear Information System (INIS)
Si Qimiao; Abrahams, Elihu; Dai Jianhui; Zhu Jianxin
2009-01-01
One of the central questions about the iron pnictides concerns the extent to which their electrons are strongly correlated. Here, we address this issue through the phenomenology of the charge transport and dynamics, the single-electron excitation spectrum, and magnetic ordering and dynamics. We outline the evidence that the parent compounds, while metallic, have electron interactions that are sufficiently strong to produce incipient Mott physics. In other words, in terms of the strength of electron correlations compared with the kinetic energy, the iron pnictides are closer to intermediately coupled systems lying at the boundary between itinerancy and localization, such as V 2 O 3 or Se-doped NiS 2 , rather than to simple antiferromagnetic metals like Cr. This level of electronic correlations produces a new small parameter for controlled theoretical analysis, namely the fraction of the single-electron spectral weight that lies in the coherent part of the excitation spectrum. Using this expansion parameter, we construct the effective low-energy Hamiltonian and discuss its implications for the magnetic order and magnetic quantum criticality. Finally, this approach sharpens the notion of magnetic frustration for such a metallic system, and brings about a multiband matrix t-J 1 -J 2 model for the carrier-doped iron pnictides.
Correlation effects in superconducting quantum dot systems
Pokorný, Vladislav; Žonda, Martin
2018-05-01
We study the effect of electron correlations on a system consisting of a single-level quantum dot with local Coulomb interaction attached to two superconducting leads. We use the single-impurity Anderson model with BCS superconducting baths to study the interplay between the proximity induced electron pairing and the local Coulomb interaction. We show how to solve the model using the continuous-time hybridization-expansion quantum Monte Carlo method. The results obtained for experimentally relevant parameters are compared with results of self-consistent second order perturbation theory as well as with the numerical renormalization group method.
International Nuclear Information System (INIS)
Giesen, Alexander W.; Homans, Steve W.; Brown, Jonathan Miles
2003-01-01
We report the determination of the global fold of human ubiquitin using protein backbone NMR residual dipolar coupling and long-range nuclear Overhauser effect (NOE) data as conformational restraints. Specifically, by use of a maximum of three backbone residual dipolar couplings per residue (N i -H N i , N i -C' i-1 , H N i - C' i-1 ) in two tensor frames and only backbone H N -H N NOEs, a global fold of ubiquitin can be derived with a backbone root-mean-square deviation of 1.4 A with respect to the crystal structure. This degree of accuracy is more than adequate for use in databases of structural motifs, and suggests a general approach for the determination of protein global folds using conformational restraints derived only from backbone atoms
Energy Technology Data Exchange (ETDEWEB)
Meier, Roland
2009-07-01
In the present work the impact of lateral patterning of ultrathin ferromagnetic films down to the nanometer range on the magnetic phase transition has been investigated. In this respect on the one hand a size effect on the Curie temperature and, referring to that, the relevance of dipolar coupling were a matter of particular interest. On the other hand the characteristics of the critical behavior itself, becoming apparent by the accurate evaluation of the curvature shape of the magnetization as a function of temperature at T{sub c}, were analyzed with regard to potential and expected size effects. The investigation of similar nanostructures with respect to an effect on Curie temperature respectively phase transition may draw up a correlation. Therefore more than hundred samples were fabricated for this work extensively by means of MBE (Molecular Beam Epitaxy) and ESL (Electron Beam Epitaxy) methods, measured by MOKE (Magneto-Optical Kerr Effect) technique and systematically evaluated. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Hou, Guangjin, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu; Lu, Xingyu, E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Vega, Alexander J., E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Polenova, Tatyana, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu [Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA and Pittsburgh Center for HIV Protein Interactions, University of Pittsburgh School of Medicine, 1051 Biomedical Science Tower 3, 3501 Fifth Ave., Pittsburgh, Pennsylvania 15261 (United States)
2014-09-14
We report a Phase-Alternating R-Symmetry (PARS) dipolar recoupling scheme for accurate measurement of heteronuclear {sup 1}H-X (X = {sup 13}C, {sup 15}N, {sup 31}P, etc.) dipolar couplings in MAS NMR experiments. It is an improvement of conventional C- and R-symmetry type DIPSHIFT experiments where, in addition to the dipolar interaction, the {sup 1}H CSA interaction persists and thereby introduces considerable errors in the dipolar measurements. In PARS, phase-shifted RN symmetry pulse blocks applied on the {sup 1}H spins combined with π pulses applied on the X spins at the end of each RN block efficiently suppress the effect from {sup 1}H chemical shift anisotropy, while keeping the {sup 1}H-X dipolar couplings intact. Another advantage over conventional DIPSHIFT experiments, which require the signal to be detected in the form of a reduced-intensity Hahn echo, is that the series of π pulses refocuses the X chemical shift and avoids the necessity of echo formation. PARS permits determination of accurate dipolar couplings in a single experiment; it is suitable for a wide range of MAS conditions including both slow and fast MAS frequencies; and it assures dipolar truncation from the remote protons. The performance of PARS is tested on two model systems, [{sup 15}N]-N-acetyl-valine and [U-{sup 13}C,{sup 15}N]-N-formyl-Met-Leu-Phe tripeptide. The application of PARS for site-resolved measurement of accurate {sup 1}H-{sup 15}N dipolar couplings in the context of 3D experiments is presented on U-{sup 13}C,{sup 15}N-enriched dynein light chain protein LC8.
Jet Dipolarity: Top Tagging with Color Flow
Energy Technology Data Exchange (ETDEWEB)
Hook, Anson; Jankowiak, Martin; /SLAC /Stanford U., Phys. Dept.; Wacker, Jay G.; /SLAC
2011-08-12
A new jet observable, dipolarity, is introduced that can distinguish whether a pair of subjets arises from a color singlet source. This observable is incorporated into the HEPTopTagger and is shown to improve discrimination between top jets and QCD jets for moderate to high p{sub T}. The impressive resolution of the ATLAS and CMS detectors means that a typical QCD jet at the LHC deposits energy in {Omicron}(10-100) calorimeter cells. Such fine-grained calorimetry allows for jets to be studied in much greater detail than previously, with sophisticated versions of current techniques making it possible to measure more than just the bulk properties of jets (e.g. event jet multiplicities or jet masses). One goal of the LHC is to employ these techniques to extend the amount of information available from each jet, allowing for a broader probe of the properties of QCD. The past several years have seen significant progress in developing such jet substructure techniques. A number of general purpose tools have been developed, including: (i) top-tagging algorithms designed for use at both lower and higher p{sub T} as well as (ii) jet grooming techniques such as filtering, pruning, and trimming, which are designed to improve jet mass resolution. Jet substructure techniques have also been studied in the context of specific particle searches, where they have been shown to substantially extend the reach of traditional search techniques in a wide variety of scenarios, including for example boosted Higgses, neutral spin-one resonances, searches for supersymmetry, and many others. Despite these many successes, however, there is every reason to expect that there remains room for refinement of jet substructure techniques.
Cluster Observations of Multiple Dipolarization Fronts
Hwang, Kyoung-Joo; Goldstein, Melvyn L.; Lee, Ensang; Pickett, Jolene S.
2011-01-01
We present Cluster observations of a series of dipolarization fronts (DF 1 to 6) at the central current sheet in Earth's magnetotail. The velocities of fast earthward flow following behind each DF 1-3, are comparable to the Alfven velocity, indicating that the flow bursts might have been generated by bursty reconnection that occurred tailward of the spacecraft. Based on multi-spacecraft timing analysis, DF normals are found to propagate mainly earthward at $160-335$ km/s with a thickness of 900-1500 km, which corresponds to the ion inertial length or gyroradius scale. Each DF is followed by significant fluctuations in the $x$ and $y$ components of the magnetic field whose peaks are found 1-2 minutes after the DF passage. These $(B_{x},B_{y} )$-fluctuations propagate dawnward (mainly) and earthward. Strongly enhanced field-aligned beams are observed coincidently with $(B_{x},B_{y})$ fluctuations, while an enhancement of cross-tail currents is associated with the DFs. From the observed pressure imbalance and flux-tube entropy changes between the two regions separated by the DF, we speculate that interchange instability destabilizes the DFs and causes the deformation of the mid-tail magnetic topology. This process generates significant field-aligned currents, and might power the auroral brightening in the ionosphere. However, this event is neither associated with the main substorm auroral breakup nor the poleward expansion, which might indicate that the observed multiple DFs have been dissipated before they reach the inner plasma sheet boundary.
Directory of Open Access Journals (Sweden)
Thoraya A. Farghaly
2017-05-01
Full Text Available An efficient synthesis of new derivatives of 1,5-benzothiazepine has been developed by the reaction of various chalcones (1,3-diaryl-2-propenones with 2-amino-thiophenol in the presence of H-ferrierite zeolite as acidic catalyst without solvent. In addition, 1,3-dipolar cycloaddition of hydrazonoyl chlorides on CN bond of 1,5-benzothiazepines in water in the presence of Na2CO3/THAC as a base catalyst afforded 1,2,4-triazolo[3,4-d][1,5]benzothiazepines. The structure of all the newly synthesized compounds was established on the basis of spectral data (Mass, IR, 1H NMR, 13C NMR and elemental analysis.
Correlation effects in electron-atom collisions
International Nuclear Information System (INIS)
Water, W. van de.
1981-01-01
This thesis deals with correlation effects occurring in the outer region of configuration space after an ionising collision. The motion of both escaping electrons in the external region is then fully determined by the long-range Coulomb forces. Firstly the threshold ionisation of hydrogen-like targets is studied. In that case two slow electrons attempt to escape from the Coulomb attraction of the residual ion. Secondly ionising collisions, with the formation of an autoionising state as an intermediate step, are considered. Such an autoionising state is in fact a quasi bound state of the neutral atom which lies imbedded in the ionisation continuum. The state decays after a certain lifetime by emission of an electron. Of all states to be formed in the reaction region only the autoionising state(s) under consideration is then relevant for this type of ionisation process. The energy positions of autoionising states usually are such that the electron to be ionised is ejected with a rather large velocity. The correlation in the outer region of configuration space then consists of the interaction of a fast ejected electron and, in case of threshold excitation of the autoionising state, a slow scattered electron. (Auth.)
Topological defect formation in rotating binary dipolar Bose–Einstein condensate
International Nuclear Information System (INIS)
Zhang, Xiao-Fei; Han, Wei; Jiang, Hai-Feng; Liu, Wu-Ming; Saito, Hiroki; Zhang, Shou-Gang
2016-01-01
We investigate the topological defects and spin structures of a rotating binary Bose–Einstein condensate, which consists of both dipolar and scalar bosonic atoms confined in spin-dependent optical lattices, for an arbitrary orientation of the dipoles with respect to their plane of motion. Our results show that the tunable dipolar interaction, especially the orientation of the dipoles, can be used to control the direction of stripe phase and its related half-vortex sheets. In addition, it can also be used to obtain a regular arrangement of various topological spin textures, such as meron, circular and cross disgyration spin structures. We point out that such topological defects and regular arrangement of spin structures arise primarily from the long-range and anisotropic nature of dipolar interaction and its competition with the spin-dependent optical lattices and rotation. - Highlights: • Effects of both strength and orientation of the dipoles are discussed. • Various topological defects can be formed in different parameter regions. • Present one possible way to obtain regular arrangements of spin textures.
Quasi-parallel whistler mode waves observed by THEMIS during near-earth dipolarizations
Le Contel, O.; Roux, A.; Jacquey, C.; Robert, P.; Berthomier, M.; Chust, T.; Grison, B.; Angelopoulos, V.; Sibeck, D.; Chaston, C. C.; Cully, C. M.; Ergun, B.; Glassmeier, K.-H.; Auster, U.; McFadden, J.; Carlson, C.; Larson, D.; Bonnell, J. W.; Mende, S.; Russell, C. T.; Donovan, E.; Mann, I.; Singer, H.
2009-06-01
We report on quasi-parallel whistler emissions detected by the near-earth satellites of the THEMIS mission before, during, and after local dipolarization. These emissions are associated with an electron temperature anisotropy α=T⊥e/T||e>1 consistent with the linear theory of whistler mode anisotropy instability. When the whistler mode emissions are observed the measured electron anisotropy varies inversely with β||e (the ratio of the electron parallel pressure to the magnetic pressure) as predicted by Gary and Wang (1996). Narrow band whistler emissions correspond to the small α existing before dipolarization whereas the broad band emissions correspond to large α observed during and after dipolarization. The energy in the whistler mode is leaving the current sheet and is propagating along the background magnetic field, towards the Earth. A simple time-independent description based on the Liouville's theorem indicates that the electron temperature anisotropy decreases with the distance along the magnetic field from the equator. Once this variation of α is taken into account, the linear theory predicts an equatorial origin for the whistler mode. The linear theory is also consistent with the observed bandwidth of wave emissions. Yet, the anisotropy required to be fully consistent with the observations is somewhat larger than the measured one. Although the discrepancy remains within the instrumental error bars, this could be due to time-dependent effects which have been neglected. The possible role of the whistler waves in the substorm process is discussed.
Quasi-parallel whistler mode waves observed by THEMIS during near-earth dipolarizations
Directory of Open Access Journals (Sweden)
O. Le Contel
2009-06-01
Full Text Available We report on quasi-parallel whistler emissions detected by the near-earth satellites of the THEMIS mission before, during, and after local dipolarization. These emissions are associated with an electron temperature anisotropy α=T⊥e/T||e>1 consistent with the linear theory of whistler mode anisotropy instability. When the whistler mode emissions are observed the measured electron anisotropy varies inversely with β||e (the ratio of the electron parallel pressure to the magnetic pressure as predicted by Gary and Wang (1996. Narrow band whistler emissions correspond to the small α existing before dipolarization whereas the broad band emissions correspond to large α observed during and after dipolarization. The energy in the whistler mode is leaving the current sheet and is propagating along the background magnetic field, towards the Earth. A simple time-independent description based on the Liouville's theorem indicates that the electron temperature anisotropy decreases with the distance along the magnetic field from the equator. Once this variation of α is taken into account, the linear theory predicts an equatorial origin for the whistler mode. The linear theory is also consistent with the observed bandwidth of wave emissions. Yet, the anisotropy required to be fully consistent with the observations is somewhat larger than the measured one. Although the discrepancy remains within the instrumental error bars, this could be due to time-dependent effects which have been neglected. The possible role of the whistler waves in the substorm process is discussed.
Bose-Einstein condensation and study of inelastic collisions due to dipolar interactions
International Nuclear Information System (INIS)
Beaufils, Q.
2009-01-01
Its large magnetic moment in the ground state makes chromium a good candidate for the study of dipolar interactions in a degenerate gas. We have built an experimental setup for trapping and cooling atoms of "5"2Cr down to Bose-Einstein condensation (BEC). Evaporative cooling takes place in a purely optical trap, which is loaded from the magneto-optical trap using a novel process of continuous accumulation of metastable states. We produce a condensate of typically 15000 atoms in a time of 15 s. We have studied the possibility to bring all the Zeeman substates of a chromium BEC to degeneracy in a non-zero static magnetic field, using a radiofrequency (rf) magnetic field, and demonstrated a new process of rf-assisted dipolar relaxation. We have also studied a narrow Feshbach resonance induced by dipolar interaction, which implies a d-wave collisional channel. We analyzed this resonance in the presence of a rf magnetic field and we reinterpreted rf association of molecules as a mere Feshbach resonance between rf dressed states. Finally, we have set up an optical lattice in the perspective of studying the effects of dipole-dipole interactions in reduced dimension. (author)
Rivas Rojas, P. C.; Tancredi, P.; Moscoso Londoño, O.; Knobel, M.; Socolovsky, L. M.
2018-04-01
Single and fixed size core, core-shell nanoparticles of iron oxides coated with a silica layer of tunable thickness were prepared by chemical routes, aiming to generate a frame of study of magnetic nanoparticles with controlled dipolar interactions. The batch of iron oxides nanoparticles of 4.5 nm radii, were employed as cores for all the coated samples. The latter was obtained via thermal decomposition of organic precursors, resulting on nanoparticles covered with an organic layer that was subsequently used to promote the ligand exchange in the inverse microemulsion process, employed to coat each nanoparticle with silica. The amount of precursor and times of reaction was varied to obtain different silica shell thicknesses, ranging from 0.5 nm to 19 nm. The formation of the desired structures was corroborated by TEM and SAXS measurements, the core single-phase spinel structure was confirmed by XRD, and superparamagnetic features with gradual change related to dipolar interaction effects were obtained by the study of the applied field and temperature dependence of the magnetization. To illustrate that dipolar interactions are consistently controlled, the main magnetic properties are presented and analyzed as a function of center to center minimum distance between the magnetic cores.
Classical and quantum phases of low-dimensional dipolar systems
Energy Technology Data Exchange (ETDEWEB)
Cartarius, Florian
2016-09-22
In this thesis we present a detailed study of the phase diagram of ultracold bosonic atoms confined along a tight atomic wave guide, along which they experience an optical lattice potential. In this quasi-one dimensional model we analyse the interplay between interactions and quantum fluctuations in (i) determining the non-equilibrium steady state after a quench and (ii) giving rise to novel equilibrium phases, when the interactions combine the s-wave contact interaction and the anisotropic long range dipole-dipole interactions. In detail, in the first part of the thesis we study the depinning of a gas of impenetrable bosons following the sudden switch of of the optical lattice. By means of a Bose-Fermi mapping we infer the exact quantum dynamical evolution and show that in the thermodynamic limit the system is in a non-equilibrium steady state without quasi-long range order. In the second part of the thesis, we study the effect of quantum fluctuations on the linear-zigzag instability in the ground state of ultracold dipolar bosons, as a function of the strength of the transverse confinement. We first analyse the linear-zigzag instability in the classical regime, and then use our results to develop a multi-mode Bose-Hubbard model for the system. We then develop several numerical methods, to determine the ground state.
Scissors Mode of Dipolar Quantum Droplets of Dysprosium Atoms
Ferrier-Barbut, Igor; Wenzel, Matthias; Böttcher, Fabian; Langen, Tim; Isoard, Mathieu; Stringari, Sandro; Pfau, Tilman
2018-04-01
We report on the observation of the scissors mode of a single dipolar quantum droplet. The existence of this mode is due to the breaking of the rotational symmetry by the dipole-dipole interaction, which is fixed along an external homogeneous magnetic field. By modulating the orientation of this magnetic field, we introduce a new spectroscopic technique for studying dipolar quantum droplets. This provides a precise probe for interactions in the system, allowing us to extract a background scattering length for 164Dy of 69 (4 )a0 . Our results establish an analogy between quantum droplets and atomic nuclei, where the existence of the scissors mode is also only due to internal interactions. They further open the possibility to explore physics beyond the available theoretical models for strongly dipolar quantum gases.
Quantum states with topological properties via dipolar interactions
Energy Technology Data Exchange (ETDEWEB)
Peter, David
2015-06-25
This thesis proposes conceptually new ways to realize materials with topological properties by using dipole-dipole interactions. First, we study a system of ultracold dipolar fermions, where the relaxation mechanism of dipolar spins can be used to reach the quantum Hall regime. Second, in a system of polar molecules in an optical lattice, dipole-dipole interactions induce spin-orbit coupling terms for the rotational excitations. In combination with time-reversal symmetry breaking this leads to topological bands with Chern numbers greater than one.
Physical correlation effects in the lattice gas
International Nuclear Information System (INIS)
Murch, G.E.; Thorn, R.J.
1979-01-01
The circumstances of the existence of the physical correlation factor in the Nernst--Einstein relation are discussed. Use is then made of the linear phenomenological equations of irreversible thermodynamics to show that the physical correlation factor must also be present in the Darken equation. Computer simulation results in the nearest neighbor interacting lattice gas are then presented to verify this finding
Harmonically trapped dipolar fermions in a two-dimensional square lattice
DEFF Research Database (Denmark)
Larsen, Anne-Louise G.; Bruun, Georg
2012-01-01
We consider dipolar fermions in a two-dimensional square lattice and a harmonic trapping potential. The anisotropy of the dipolar interaction combined with the lattice leads to transitions between phases with density order of different symmetries. We show that the attractive part of the dipolar...
Correlation effects in diffusion: a new approach
International Nuclear Information System (INIS)
Benoist, Pierre; Lafore, Pierre; Bocquet, J.-L.
1975-11-01
All the methods used up to now to solve the correlation problems are approximate: they do not allow the defect causing the migration to walk to infinity in the crystal. The new method of the present study enables to solve rigorously the correlation problems with the use of double Laplace-Fourier transforms. The method yields both: a compact formulation of all the problems previously treated by other investigators; a solution for problems still unresolved (influence of vacancy concentration on the correlation factor for self diffusion) or too much sophisticated to be treated by the previous methods (dissociated interstitial...) [fr
Electron dynamics during substorm dipolarization in Mercury's magnetosphere
Directory of Open Access Journals (Sweden)
D. C. Delcourt
2005-11-01
Full Text Available We examine the nonlinear dynamics of electrons during the expansion phase of substorms at Mercury using test particle simulations. A simple model of magnetic field line dipolarization is designed by rescaling a magnetic field model of the Earth's magnetosphere. The results of the simulations demonstrate that electrons may be subjected to significant energization on the time scale (several seconds of the magnetic field reconfiguration. In a similar manner to ions in the near-Earth's magnetosphere, it is shown that low-energy (up to several tens of eV electrons may not conserve the second adiabatic invariant during dipolarization, which leads to clusters of bouncing particles in the innermost magnetotail. On the other hand, it is found that, because of the stretching of the magnetic field lines, high-energy electrons (several keVs and above do not behave adiabatically and possibly experience meandering (Speiser-type motion around the midplane. We show that dipolarization of the magnetic field lines may be responsible for significant, though transient, (a few seconds precipitation of energetic (several keVs electrons onto the planet's surface. Prominent injections of energetic trapped electrons toward the planet are also obtained as a result of dipolarization. These injections, however, do not exhibit short-lived temporal modulations, as observed by Mariner-10, which thus appear to follow from a different mechanism than a simple convection surge.
Functionalization of Graphene via 1,3-Dipolar Cycloaddition
Quintana, Mildred; Spyrou, Konstantinos; Grzelczak, Marek; Browne, Wesley R.; Rudolf, Petra; Prato, Maurizio
Few-layer graphenes (FLG) produced by dispersion and exfoliation of graphite in N-methylpyrrolidone were successfully functionalized using the 1,3-dipolar cycloaddition of azomethine ylides. The amino functional groups attached to graphene sheets were quantified by the Kaiser test. These amino
Dipolar fluid-wall systems. Beyond the image potential
International Nuclear Information System (INIS)
Boudh-hir, M.E.
1989-02-01
The case of dipolar fluid in front of an ideal wall is examined. The surface-fluid system is introduced as a limit case of a binary mixture Using the diagrammatic development, the expansion of the one-particle distribution function is given. 16 refs
Effective field theories for correlated electrons
International Nuclear Information System (INIS)
Wallington, J.P.
1999-10-01
In this thesis, techniques of functional integration are applied to the construction of effective field theories for models of strongly correlated electrons. This is accomplished by means of the Hubbard-Stratonovic transformation which maps a system of interacting fermions onto one of free fermions interacting, not with each other, but with bosonic fields representing the collective modes of the system. Different choices of transformation are investigated throughout the thesis. It is shown that there exists a new group of discrete symmetries and transformations of the Hubbard model. Using this new group, the problem of choosing a Hubbard-Stratonovic decomposition of the Hubbard interaction term is solved. In the context of the exotic doped barium bismuthates, an extended Hubbard model with on-site attraction and nearest neighbour repulsion is studied. Mean field and renormalisation group analyses show a 'pseudospin-flop' from charge density wave to superconductivity as a function of filling. The nearest neighbour attractive Hubbard model on a quasi-2D lattice is studied as a simple phenomenological model for the high-T c cuprates. Mean field theory shows a transition from pure d-wave to pure s-wave superconductivity, via a mixed symmetry s + id state. Using Gaussian fluctuations, the BCS-Bose crossover is examined and suggestions are made about the origin of the angle dependence of the pseudogap. The continuum delta-shell potential model is introduced for anisotropic superconductors. Its mean field phases are studied and found to have some unusual properties. The BCS-Bose crossover is examined and the results are compared with those of the lattice model. Quasi-2D (highly anisotropic 3D) systems are considered. The critical properties of a Bose gas are investigated as the degree of anisotropy is varied. A new 2D Bose condensate state is found. A renormalisation group analysis is used to investigate the crossover from 2D to 3D. (author)
Acceleration and Precipitation of Electrons during Substorm Dipolarization Events
Ashour-Abdalla, Maha; Richard, Robert; Donovan, Eric; Zhou, Meng; Goldstein, Mevlyn; El-Alaoui, Mostafa; Schriver, David; Walker, Raymond
Observations and modeling have established that during geomagnetically disturbed times the Earth’s magnetotail goes through large scale changes that result in enhanced electron precipitation into the ionosphere and earthward propagating dipolarization fronts that contain highly energized plasma. Such events originate near reconnection regions in the magnetotail at about 20-30 R_E down tail. As the dipolarization fronts propagate earthward, strong acceleration of both ions and electrons occurs due to a combination of non-adiabatic and adiabatic (betatron and Fermi) acceleration, with particle energies reaching up to 100 keV within the dipolarization front. One consequence of the plasma transport that occurs during these events is direct electron precipitation into the ionosphere, which form auroral precipitation. Using global kinetic simulations along with spacecraft and ground-based data, causes of electron precipitation are determined during well-documented, disturbed events. It is found that precipitation of keV electrons in the pre-midnight sector at latitudes around 70(°) occur due to two distinct physical processes: (1) higher latitude (≥72(°) ) precipitation due to electrons that undergo relatively rapid non-adiabatic pitch angle scattering into the loss cone just earthward of the reconnection region at around 20 R_E downtail, and (2) lower latitude (≤72(°) ) precipitation due to electrons that are more gradually accelerated primarily parallel to the geomagnetic field during its bounce motion by Fermi acceleration and enter the loss cone much closer to the Earth at 10-15 R_E, somewhat tailward of the dipolarization front. As the dipolarization fronts propagate earthward, the electron precipitation shifts to lower latitudes and occurs over a wider region in the auroral ionosphere. Our results show a direct connection between electron acceleration in the magnetotail and electron precipitation in the ionosphere during disturbed times. The electron
Effective correlator for RadioAstron project
Sergeev, Sergey
This paper presents the implementation of programme FX-correlator for Very Long Baseline Interferometry, adapted for the project "RadioAstron". Software correlator implemented for heterogeneous computing systems using graphics accelerators. It is shown that for the task interferometry implementation of the graphics hardware has a high efficiency. The host processor of heterogeneous computing system, performs the function of forming the data flow for graphics accelerators, the number of which corresponds to the number of frequency channels. So, for the Radioastron project, such channels is seven. Each accelerator is perform correlation matrix for all bases for a single frequency channel. Initial data is converted to the floating-point format, is correction for the corresponding delay function and computes the entire correlation matrix simultaneously. Calculation of the correlation matrix is performed using the sliding Fourier transform. Thus, thanks to the compliance of a solved problem for architecture graphics accelerators, managed to get a performance for one processor platform Kepler, which corresponds to the performance of this task, the computing cluster platforms Intel on four nodes. This task successfully scaled not only on a large number of graphics accelerators, but also on a large number of nodes with multiple accelerators.
Anisotropic properties of phase separation in two-component dipolar Bose-Einstein condensates
Wang, Wei; Li, Jinbin
2018-03-01
Using Crank-Nicolson method, we calculate ground state wave functions of two-component dipolar Bose-Einstein condensates (BECs) and show that, due to dipole-dipole interaction (DDI), the condensate mixture displays anisotropic phase separation. The effects of DDI, inter-component s-wave scattering, strength of trap potential and particle numbers on the density profiles are investigated. Three types of two-component profiles are present, first cigar, along z-axis and concentric torus, second pancake (or blood cell), in xy-plane, and two non-uniform ellipsoid, separated by the pancake and third two dumbbell shapes.
Effects of Structural Correlations on Electronic Properties
International Nuclear Information System (INIS)
Pastawski, H.M.; Weisz, J.F.
1984-01-01
A one dimensional alloy model is treated in the nearest neighbour tight binding approximation in which the correlation of the atoms can be adjusted. The correlation can be changed from a situation in which there is a tendency for atoms to alternate to a situation in which the atoms are randomly located, consistent with a fixed concentration c for A c B 1-c . The results show that when there is short range order, at certain energies there is a tendency for localized states and formation of structure induced minimum in the density of states. The results for the ordered case are similar to those of Charge Density Wave (CDW). A smooth transition is carried out between this case and the randomly disordered case which behaves like the Anderson model for uncorrelated disorder. (M.W.O.) [pt
Ultrafast responses of dipolar and octupolar compounds with dipicolinate as an electron acceptor
Energy Technology Data Exchange (ETDEWEB)
Wang, Yaochuan, E-mail: ycwang@dlmu.edu.cn [Department of Physics, Dalian Maritime University, Dalian 116026 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Liu, Siyuan; Liu, Dajun; Wang, Guiqiu [Department of Physics, Dalian Maritime University, Dalian 116026 (China); Xiao, Haibo [Department of Chemistry, Shanghai Normal University, Shanghai 200234 (China)
2016-11-01
Two dipolar compounds with dipicolinate as electron acceptor group named trans-dimethyl-4-[4’-(N,N-dimethylamino)-styry1]-pyridin-2,6-dicarboxylate (M-1), trans-dimethyl-4-[4'-(N,N-diphenylamino)-styry1]-pyridin-2,6-dicarboxylate (P-1) as well as a P-1 based multi-branched octupolar compound {4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl) vinyl]}-N,N-bis{4-[(E)-2-(2,6-dimethoxycarbonylpyridin-4-yl)vinylphenyl]} aniline (P-3) with intense two-photon fluorescence emission properties are systematically investigated by using steady-state absorption and fluorescence spectroscopy, Z-scan, and two-photon excited fluorescence (TPF) method. The two-photon absorption cross section of octupolar compound P-3 in THF solution is determined to be 376 GM, which is approximately 12 times greater than that of dipolar counterpart P-1 (32 GM). Transient absorption spectroscopy is employed to investigate the excited state dynamics of the dipolar and octupolar compounds. The formation and relaxation lifetimes of the intra-molecular charge transfer (ICT) state are determined to be in the ranges of several picoseconds and several-hundreds of picoseconds, respectively, for all the three compounds in THF solutions. An extended π-conjugated system and increased intra-molecular cooperative effect are responsible for the observed large two-photon absorption character. - Highlights: • Octupolar compound gain 12-fold enhancement of two photon absorption. • Dynamic properties of intra-molecular charge transfer state are determined. • Cooperative effect is responsible for great increase of two photon character.
Dipolar magnetism in ordered and disordered low-dimensional nanoparticle assemblies
DEFF Research Database (Denmark)
Varón, M.; Beleggia, M; Kasama, T
2013-01-01
order at ambient temperature in assemblies of closely-spaced nanoparticles with magnetic moments of ≥ 100 μ(B). Here we use electron holography with sub-particle resolution to reveal the correlation between particle arrangement and magnetic order in self-assembled 1D and quasi-2D arrangements of 15 nm...... cobalt nanoparticles. In the initial states, we observe dipolar ferromagnetism, antiferromagnetism and local flux closure, depending on the particle arrangement. Surprisingly, after magnetic saturation, measurements and numerical simulations show that overall ferromagnetic order exists in the present...... nanoparticle assemblies even when their arrangement is completely disordered. Such direct quantification of the correlation between topological and magnetic order is essential for the technological exploitation of magnetic quasi-2D nanoparticle assemblies....
Effects of Perfectly Correlated and Anti-Correlated Noise in a Logistic Growth Model
International Nuclear Information System (INIS)
Zhang Li; Cao Li
2011-01-01
The logistic growth model with correlated additive and multiplicative Gaussian white noise is used to analyze tumor cell population. The effects of perfectly correlated and anti-correlated noise on the stationary properties of tumor cell population are studied. As in both cases the diffusion coefficient has zero point in real number field, some special features of the system are arisen. It is found that in both cases, the increase of the multiplicative noise intensity cause tumor cell extinction. In the perfectly anti-correlated case, the stationary probability distribution as a function of tumor cell population exhibit two extrema. (general)
Quasi-parallel whistler mode waves observed by THEMIS during near-earth dipolarizations
Directory of Open Access Journals (Sweden)
O. Le Contel
2009-06-01
Full Text Available We report on quasi-parallel whistler emissions detected by the near-earth satellites of the THEMIS mission before, during, and after local dipolarization. These emissions are associated with an electron temperature anisotropy α=T_{⊥e}/T_{||e}>1 consistent with the linear theory of whistler mode anisotropy instability. When the whistler mode emissions are observed the measured electron anisotropy varies inversely with β_{||e} (the ratio of the electron parallel pressure to the magnetic pressure as predicted by Gary and Wang (1996. Narrow band whistler emissions correspond to the small α existing before dipolarization whereas the broad band emissions correspond to large α observed during and after dipolarization. The energy in the whistler mode is leaving the current sheet and is propagating along the background magnetic field, towards the Earth. A simple time-independent description based on the Liouville's theorem indicates that the electron temperature anisotropy decreases with the distance along the magnetic field from the equator. Once this variation of α is taken into account, the linear theory predicts an equatorial origin for the whistler mode. The linear theory is also consistent with the observed bandwidth of wave emissions. Yet, the anisotropy required to be fully consistent with the observations is somewhat larger than the measured one. Although the discrepancy remains within the instrumental error bars, this could be due to time-dependent effects which have been neglected. The possible role of the whistler waves in the substorm process is discussed.
Coherent manipulation of dipolar coupled spins in an anisotropic environment
Baibekov, E. I.; Gafurov, M. R.; Zverev, D. G.; Kurkin, I. N.; Malkin, B. Z.; Barbara, B.
2014-11-01
We study coherent dynamics in a system of dipolar coupled spin qubits diluted in a solid and subjected to a driving microwave field. In the case of rare earth ions, an anisotropic crystal background results in anisotropic g tensor and thus modifies the dipolar coupling. We develop a microscopic theory of spin relaxation in a transient regime for the frequently encountered case of axially symmetric crystal field. The calculated decoherence rate is nonlinear in the Rabi frequency. We show that the direction of a static magnetic field that corresponds to the highest spin g factor is preferable in order to obtain a higher number of coherent qubit operations. The results of calculations are in excellent agreement with our experimental data on Rabi oscillations recorded for a series of CaW O4 crystals with different concentrations of N d3 + ions.
Quantum phases of dipolar rotors on two-dimensional lattices.
Abolins, B P; Zillich, R E; Whaley, K B
2018-03-14
The quantum phase transitions of dipoles confined to the vertices of two-dimensional lattices of square and triangular geometry is studied using path integral ground state quantum Monte Carlo. We analyze the phase diagram as a function of the strength of both the dipolar interaction and a transverse electric field. The study reveals the existence of a class of orientational phases of quantum dipolar rotors whose properties are determined by the ratios between the strength of the anisotropic dipole-dipole interaction, the strength of the applied transverse field, and the rotational constant. For the triangular lattice, the generic orientationally disordered phase found at zero and weak values of both dipolar interaction strength and applied field is found to show a transition to a phase characterized by net polarization in the lattice plane as the strength of the dipole-dipole interaction is increased, independent of the strength of the applied transverse field, in addition to the expected transition to a transverse polarized phase as the electric field strength increases. The square lattice is also found to exhibit a transition from a disordered phase to an ordered phase as the dipole-dipole interaction strength is increased, as well as the expected transition to a transverse polarized phase as the electric field strength increases. In contrast to the situation with a triangular lattice, on square lattices, the ordered phase at high dipole-dipole interaction strength possesses a striped ordering. The properties of these quantum dipolar rotor phases are dominated by the anisotropy of the interaction and provide useful models for developing quantum phases beyond the well-known paradigms of spin Hamiltonian models, implementing in particular a novel physical realization of a quantum rotor-like Hamiltonian that possesses an anisotropic long range interaction.
Dipolar and quadrupolar defects in a transport line
International Nuclear Information System (INIS)
Leleux, G.; Nghiem, P.
1991-01-01
The defects on a transport line of linear accelerator are studied. A transport line where the elements are influenced by the design or position defects is analyzed. Only dipolar and quadrupolar defects are considered, and the coupling betwen transversal motions are excluded. The data from the literature and those calculated by transfer matrices are compared. The defects on a line are considered from an analytical point of view. Closed optical structures are also studied [fr
Quantum phases of dipolar rotors on two-dimensional lattices
Abolins, B. P.; Zillich, R. E.; Whaley, K. B.
2018-03-01
The quantum phase transitions of dipoles confined to the vertices of two-dimensional lattices of square and triangular geometry is studied using path integral ground state quantum Monte Carlo. We analyze the phase diagram as a function of the strength of both the dipolar interaction and a transverse electric field. The study reveals the existence of a class of orientational phases of quantum dipolar rotors whose properties are determined by the ratios between the strength of the anisotropic dipole-dipole interaction, the strength of the applied transverse field, and the rotational constant. For the triangular lattice, the generic orientationally disordered phase found at zero and weak values of both dipolar interaction strength and applied field is found to show a transition to a phase characterized by net polarization in the lattice plane as the strength of the dipole-dipole interaction is increased, independent of the strength of the applied transverse field, in addition to the expected transition to a transverse polarized phase as the electric field strength increases. The square lattice is also found to exhibit a transition from a disordered phase to an ordered phase as the dipole-dipole interaction strength is increased, as well as the expected transition to a transverse polarized phase as the electric field strength increases. In contrast to the situation with a triangular lattice, on square lattices, the ordered phase at high dipole-dipole interaction strength possesses a striped ordering. The properties of these quantum dipolar rotor phases are dominated by the anisotropy of the interaction and provide useful models for developing quantum phases beyond the well-known paradigms of spin Hamiltonian models, implementing in particular a novel physical realization of a quantum rotor-like Hamiltonian that possesses an anisotropic long range interaction.
Jurd, Andrew P S; Titman, Jeremy J
2009-08-28
Solid-state NMR experiments can be used to determine conformational parameters, such as interatomic distances and torsion angles. The latter can be obtained from measurements of the relative orientation of two chemical shift tensors, if the orientation of these with respect to the surrounding bonds is known. In this paper, a new rotor-synchronized magic angle spinning (MAS) dipolar correlation experiment is described which can be used in this way. Because the experiment requires slow MAS rates, a novel recoupling sequence, designed using symmetry principles, is incorporated into the mixing period. This recoupling sequence is based in turn on a new composite cyclic pulse referred to as COAST (for combined offset and anisotropy stabilization). The new COAST-C7(2)(1) sequence is shown to give good theoretical and experimental recoupling efficiency, even when the CSA far exceeds the MAS rate. In this regime, previous recoupling sequences, such as POST-C7(2)(1), exhibit poor recoupling performance. The effectiveness of the new method has been explored by a study of the dipeptide L-phenylalanyl-L-phenylalanine.
Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy
International Nuclear Information System (INIS)
León, H.
2013-01-01
The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112 ¯ ] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: ► Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. ► Numerical results are presented for distorted fcc [001] structures. ► The lowest energy of a system depends on how the tetragonal distortion is achieved. ► A striped phase with magnetization in the [112 ¯ ] direction is the ground state. ► In multidomain NiO and MnO films it is eightfold degenerate.
Correlation between enzymes inhibitory effects and antioxidant ...
African Journals Online (AJOL)
... and phytochemical content of fractions was investigated. The n-butanol fraction showed significant α-glucosidase and α-amylase inhibitory effects (IC50 values 15.1 and 39.42 μg/ml, respectively) along with the remarkable antioxidant activity when compared to the other fractions. High performance liquid chromatography ...
Energy Technology Data Exchange (ETDEWEB)
Jensen, Pernille Rose; Axelsen, Jacob Bock [University of Copenhagen, Institute of Molecular Biology (Denmark); Lerche, Mathilde Hauge [Amersham Health (Sweden); Poulsen, Flemming M. [University of Copenhagen, Institute of Molecular Biology (Denmark)], E-mail: fmp@apk.molbio.ku.dk
2004-01-15
We have examined how the hydrogen bond geometry in three different proteins is affected when structural restraints based on measurements of residual dipolar couplings are included in the structure calculations. The study shows, that including restraints based solely on {sup 1}H{sup N}-{sup 15}N residual dipolar couplings has pronounced impact on the backbone rmsd and Ramachandran plot but does not improve the hydrogen bond geometry. In the case of chymotrypsin inhibitor 2 the addition of {sup 13}CO-{sup 13}C{sup {alpha}} and {sup 15}N-{sup 13}CO one bond dipolar couplings as restraints in the structure calculations improved the hydrogen bond geometry to a quality comparable to that obtained in the 1.8 A resolution X-ray structure of this protein. A systematic restraint study was performed, in which four types of restraints, residual dipolar couplings, hydrogen bonds, TALOS angles and NOEs, were allowed in two states. This study revealed the importance of using several types of residual dipolar couplings to get good hydrogen bond geometry. The study also showed that using a small set of NOEs derived only from the amide protons, together with a full set of residual dipolar couplings resulted in structures of very high quality. When reducing the NOE set, it is mainly the side-chain to side-chain NOEs that are removed. Despite of this the effect on the side-chain packing is very small when a reduced NOE set is used, which implies that the over all fold of a protein structure is mainly determined by correct folding of the backbone.
Breastfeeding: patterns, correlates, and fertility effects.
Jain, A K; Bongaarts, J
1981-03-01
Paper based on data generated by the World Fertility Survey in 8 countries: Bangladesh, Indonesia, Sri Lanka, Jordan, Peru, Guyana, Colombia, and Panama. The authors address the following issues, among others: the prevalence and duration of breastfeeding; variations in the duration of breastfeeding among different subgroups, classified by age, parity, woman's education, etc,; the key determinants of breastfeeding; and the effect of breastfeeding on fertility. The large majority of women in all the countries breastfed their last 2 children, the number who did not ranging from 2 to 18%. Duration ranged from 9 months (Panama) to 29 months (Bangladesh). Key determinants were women's education, place of residence, husband's occupation, and survival status of the child--consistent for all 8 countries. Women with more education and those living in urban areas breastfeed for shorter periods. Sex of child, age and parity of mother, and mother's work experience showed no independent effect on duration of breastfeeding. Although breastfeeding is not used for family limitation, the possibility that it is used to prolong birth intervals cannot be ruled out. Average length of last closed birth interval increased with prolonged breastfeeding in all 8 countries. 1 month of breastfeeding adds an average of 0.4 months to the birth interval, although there was considerable variation among the countries. To what extent these variations may be due to differences in reporting errors or to other factors could not be determined.
Density functional theory investigation of two-dimensional dipolar fermions in a harmonic trap
International Nuclear Information System (INIS)
Ustunel, Hande; Abedinpour, Saeed H; Tanatar, B
2014-01-01
We investigate the behavior of polarized dipolar fermions in a two-dimensional harmonic trap in the framework of the density functional theory (DFT) formalism using the local density approximation. We treat only a few particles interacting moderately. Important results were deduced concerning key characteristics of the system such as total energy and particle density. Our results indicate that, at variance with Coulombic systems, the exchange- correlation component was found to provide a large contribution to the total energy for a large range of interaction strengths and particle numbers. In addition, the density profiles of the dipoles are shown to display important features around the origin that is not possible to capture by earlier, simpler treatments of such systems
A new approach for applying residual dipolar couplings as restraints in structure elucidation
International Nuclear Information System (INIS)
Meiler, Jens; Blomberg, Niklas; Nilges, Michael; Griesinger, Christian
2000-01-01
Residual dipolar couplings are useful global structural restraints. The dipolar couplings define the orientation of a vector with respect to the alignment tensor. Although the size of the alignment tensor can be derived from the distribution of the experimental dipolar couplings, its orientation with respect to the coordinate system of the molecule is unknown at the beginning of structure determination. This causes convergence problems in the simulated annealing process. We therefore propose a protocol that translates dipolar couplings into intervector projection angles, which are independent of the orientation of the alignment tensor with respect to the molecule. These restraints can be used during the whole simulated annealing protocol
Dipolar local field in homogeneously magnetized quasi-two-dimensional crystals
International Nuclear Information System (INIS)
Leon, H; Estevez-Rams, E
2009-01-01
A formalism to calculate the dipolar local field in homogeneously magnetized quasi-two-dimensional (Q2D) crystals is comprehensively presented. Two fundamental tests for this formalism are accomplished: the transition from the Q2D quantities to the corresponding 3D ones; and the recovering of the macroscopic quantities of the 3D continuum theory. The additive separation between lattice and shape contributions to the local field allows an unambiguous interpretation of the respective effects. Calculated demagnetization tensors for square and circular lateral geometries of dipole layers show that for a single crystal layer an extremely thin film, but still with a finite thickness, is a better physical representation than a strictly 2D plane. Distinct close-packed structures are simulated and calculations of the local field at the nodes of the stacked 2D lattices allow one to establish the number of significantly coupled dipole layers, depending on the ratio between the interlayer distance and the 2D lattice constant. The conclusions drawn are of interest for the study of the dipolar interaction in magnetic ultrathin films and other nanostructured materials, where magnetic nanoparticles are embedded in non-magnetic matrices.
Disorder effects in strongly correlated uranium compounds
International Nuclear Information System (INIS)
Suellow, S.; Maple, M.B.; Tomuta, D.; Nieuwenhuys, G.J.; Menovsky, A.A.; Mydosh, J.A.; Chau, R.
2001-01-01
Moderate levels of crystallographic disorder can dramatically affect the ground-state properties of heavy fermion compounds. In particular, the role of disorder close to a quantum critical point has been investigated in detail. However, crystallographic disorder is equally effective in altering the properties of magnetically ordered heavy fermion compounds like URh 2 Ge 2 , where disorder-induced spin-glass behavior has been observed. In this system, moreover, the magnetic ground state can be tuned from a spin-glass to a long-range ordered antiferromagnetic one by means of an annealing treatment. The transformation of the magnetic state is accompanied by a transition in the transport properties from 'quasi-insulating' (dρ/dT 2 Ge 2 will be discussed. Of particular interest is the resistivity of as-grown URh 2 Ge 2 , which resembles the Non-Fermi-liquid system UCu 4 Pd, suggesting that a common mechanism - the crystallographic disorder - controls the transport properties of these materials
Effect of Correlated Noises in a Genetic Model
International Nuclear Information System (INIS)
Li, Zhang; Li, Cao
2010-01-01
The Stratonovich stochastic differential equation is used to analyze genotype selection in the presence of correlated Gaussian white noises. We study the steady state properties of the genotype selection and discuss the effects of the correlated noises. It is found that the degree of correlation of the noises can be used to select one type of genes from another type of mixing genes. The strong selection of genes caused by a large value of multiplicative noise intensity can be weakened by the intensive negative correlation. (general)
International Nuclear Information System (INIS)
Pérez Alcázar, G.A.; Zamora, L.E.; Tabares, J.A.; Piamba, J.F.; González, J.M.; Greneche, J.M.; Martinez, A.; Romero, J.J.; Marco, J.F.
2013-01-01
Powders of melted disordered Fe 50 Mn 10 Al 40 alloy were separated at different mean particle sizes as well as magnetically and structurally characterized. All the samples are BCC and show the same nanostructure. Particles larger than 250 μm showed a lamellar shape compared to smaller particles, which exhibited a more regular form. All the samples are ferromagnetic at room temperature and showed reentrant spin-glass (RSG) and superparamagnetic (SP)-like behaviors between 30 and 60 K and 265 and > 280 K, respectively, as a function of frequency and particle size. The freezing temperature increases with increasing particle size while the blocking one decreases with particle size. The origin of these magnetic phenomena relies in the internal disordered character of samples and the competitive interaction of Fe and Mn atoms. The increase of their critical freezing temperature with increasing mean particle size is due to the increase of the magnetic dipolar interaction between the magnetic moment of each particle with the field produced by the other magnetic moments of their surrounding particles. - Highlights: ► The effect of particle size in microsized powders of Fe 50 Mn 10 Al 40 melted disordered alloy is studied. ► Dipolar magnetic interaction between particles exists and this changes with the particle size. ► For all the particle sizes the reentrant spin- glass and the superparamagnetic-like phases exist. ► RSG and SP critical temperatures increase with increasing the dipolar magnetic interaction (the mean particle size).
Accounting for Missing Correlation Coefficients in Fixed-Effects MASEM.
Jak, Suzanne; Cheung, Mike W-L
2018-01-01
Meta-analytic structural equation modeling (MASEM) is increasingly applied to advance theories by synthesizing existing findings. MASEM essentially consists of two stages. In Stage 1, a pooled correlation matrix is estimated based on the reported correlation coefficients in the individual studies. In Stage 2, a structural model (such as a path model) is fitted to explain the pooled correlations. Frequently, the individual studies do not provide all the correlation coefficients between the research variables. In this study, we modify the currently optimal MASEM-method to deal with missing correlation coefficients, and compare its performance with existing methods. This study is the first to evaluate the performance of fixed-effects MASEM methods under different levels of missing correlation coefficients. We found that the often used univariate methods performed very poorly, while the multivariate methods performed well overall.
Magnetic holes in the dipolarized magnetotail: ion and electron anisotropies
Shustov, P.; Artemyev, A.; Zhang, X. J.; Yushkov, E.; Petrukovich, A. A.
2017-12-01
We conduct statistics on magnetic holes observed by THEMIS spacecraft in the near-Earth magnetotail. Groups of holes are detected after dipolarizations in the quiet, equatorial plasma sheet. Magnetic holes are characterized by significant magnetic field depressions (up to 50%) and strong electron currents ( 10-50 nA/m2), with spatial scales much smaller than the ion gyroradius. These magnetic holes are populated by hot (>10 keV), transversely anisotropic electrons supporting the pressure balance. We present statistical properties of these sub-ion scale magnetic holes and discuss possible mechanisms on the hole formation.
Spreading dynamics of 2D dipolar Langmuir monolayer phases.
Heinig, P; Wurlitzer, S; Fischer, Th M
2004-07-01
We study the spreading of a liquid 2D dipolar droplet in a Langmuir monolayer. Interfacial tensions (line tensions) and microscopic contact angles depend on the scale on which they are probed and obey a scaling law. Assuming rapid equilibration of the microscopic contact angle and ideal slippage of the 2D solid/liquid and solid/gas boundary, the driving force of spreading is merely expressed by the shape-dependent long-range interaction integrals. We obtain good agreement between experiment and numerical simulations using this theory.
Effective capacity of multiple antenna channels: Correlation and keyhole
Zhong, Caijun; Ratnarajah, Tharm; Wong, Kaikit; Alouini, Mohamed-Slim
2012-01-01
In this study, the authors derive the effective capacity limits for multiple antenna channels which quantify the maximum achievable rate with consideration of link-layer delay-bound violation probability. Both correlated multiple-input single
Correlation effects driven by reduced dimensionality in magnetic ...
Indian Academy of Sciences (India)
2015-06-02
Jun 2, 2015 ... Keywords. Magnetic surface alloys; electronic structure; surface reconstructions; correlation ..... While atomic multiplet effects are not directly visible as fine structure, they ..... [19] W L O' Brien, J Zhang and B P Tonner, J. Phys.
String effects on Fermi-Dirac correlation measurements
International Nuclear Information System (INIS)
Duran Delgado, R.M.; Gustafson, G.; Loennblad, L.
2007-01-01
We investigate some recent measurements of Fermi-Dirac correlations by the LEP collaborations indicating surprisingly small source radii for the production of baryons in e + e - annihilation at the Z 0 peak. In hadronization models there is besides the Fermi-Dirac correlation effect also a strong dynamical (anti-) correlation. We demonstrate that the extraction of the pure FD effect is highly dependent on a realistic Monte Carlo event generator, both for separation of those dynamical correlations that are not related to Fermi-Dirac statistics, and for corrections of the data and background subtractions. Although the model can be tuned to well reproduce single particle distributions, there are large model uncertainties when it comes to correlations between identical baryons. We therefore, unfortunately, have to conclude that it is at present not possible to draw any firm conclusion about the source radii relevant for baryon production at LEP. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Spizzo, F., E-mail: spizzo@fe.infn.it [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy); Tamisari, M. [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy); Dipartimento di Fisica e Geologia and CNISM, Università di Perugia, I-06123 Perugia (Italy); Chinni, F.; Bonfiglioli, E. [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy); Gerardino, A. [Istituto di Fotonica e Nanotecnologie, CNR, I-00156 Roma (Italy); Barucca, G. [Dipartimento SIMAU, Università Politecnica delle Marche, I-60131 Ancona (Italy); Bisero, D.; Fin, S.; Del Bianco, L. [Dipartimento di Fisica e Scienze della Terra and CNISM, Università di Ferrara, I-44122 Ferrara (Italy)
2016-02-15
We studied the exchange bias effect in an array of IrMn(3 nm)/NiFe(3 nm) circular dots (size ~140 nm and center-to-center distance ~200 nm, as revealed by microscopy analyses), prepared on a large area (3×3 mm{sup 2}) by electron beam lithography and lift-off, using dc sputtering deposition. Hysteresis loops were measured by SQUID magnetometer at increasing values of temperature T (in the 5–300 K range) after cooling from 300 K down to 5 K in zero field (ZFC mode) and in a saturating magnetic field (FC mode). The exchange bias effect disappears above T~200 K and, at each temperature, the exchange field H{sub EX} measured in ZFC is substantially lower than the FC one. Micromagnetic calculations indicate that, at room temperature, each dot is in high-remanence ground state, but magnetic dipolar interactions establish a low-remanence configuration of the array as a whole. Hence, at low temperature, following the ZFC procedure, the exchange anisotropy in the dot array is averaged out, tending to zero. However, even the FC values of H{sub EX} and of the coercivity H{sub C} are definitely smaller compared to those measured in a reference continuous film with the same stack configuration (at T=5 K, H{sub EX}~90 Oe and H{sub C}~180 Oe in the dots and H{sub EX}~1270 Oe and H{sub C}~860 Oe in the film). Our explanation is based on the proven glassy magnetic nature of the ultrathin IrMn layer, implying the existence of magnetic correlations among the spins, culminating in a collective freezing below T~100 K. We propose, also by the light of micromagnetic simulations, that the small dot size imposes a spatial constraint on the magnetic correlation length among the IrMn spins so that, even at the lowest temperature, their thermal stability, especially at the dot border, is compromised. - Highlights: • Exchange bias in 140 nm-sized IrMn(3 nm)/NiFe(3 nm) dots much weaker than in a film. • Glassy magnetic nature of the IrMn phase and collective spin freezing at T<100 K
International Nuclear Information System (INIS)
Spizzo, F.; Tamisari, M.; Chinni, F.; Bonfiglioli, E.; Gerardino, A.; Barucca, G.; Bisero, D.; Fin, S.; Del Bianco, L.
2016-01-01
We studied the exchange bias effect in an array of IrMn(3 nm)/NiFe(3 nm) circular dots (size ~140 nm and center-to-center distance ~200 nm, as revealed by microscopy analyses), prepared on a large area (3×3 mm"2) by electron beam lithography and lift-off, using dc sputtering deposition. Hysteresis loops were measured by SQUID magnetometer at increasing values of temperature T (in the 5–300 K range) after cooling from 300 K down to 5 K in zero field (ZFC mode) and in a saturating magnetic field (FC mode). The exchange bias effect disappears above T~200 K and, at each temperature, the exchange field H_E_X measured in ZFC is substantially lower than the FC one. Micromagnetic calculations indicate that, at room temperature, each dot is in high-remanence ground state, but magnetic dipolar interactions establish a low-remanence configuration of the array as a whole. Hence, at low temperature, following the ZFC procedure, the exchange anisotropy in the dot array is averaged out, tending to zero. However, even the FC values of H_E_X and of the coercivity H_C are definitely smaller compared to those measured in a reference continuous film with the same stack configuration (at T=5 K, H_E_X~90 Oe and H_C~180 Oe in the dots and H_E_X~1270 Oe and H_C~860 Oe in the film). Our explanation is based on the proven glassy magnetic nature of the ultrathin IrMn layer, implying the existence of magnetic correlations among the spins, culminating in a collective freezing below T~100 K. We propose, also by the light of micromagnetic simulations, that the small dot size imposes a spatial constraint on the magnetic correlation length among the IrMn spins so that, even at the lowest temperature, their thermal stability, especially at the dot border, is compromised. - Highlights: • Exchange bias in 140 nm-sized IrMn(3 nm)/NiFe(3 nm) dots much weaker than in a film. • Glassy magnetic nature of the IrMn phase and collective spin freezing at T<100 K • Confinement of IrMn magnetic
Effects of degree correlation on scale-free gradient networks
International Nuclear Information System (INIS)
Pan Guijun; Yan Xiaoqing; Ma Weichuan; Luo Yihui; Huang Zhongbing
2010-01-01
We have studied the effects of degree correlation on congestion pressure in scale-free gradient networks. It is observed that the jamming coefficient J is insensitive to the degree correlation coefficient r for assortative and strongly disassortative scale-free networks, and J markedly decreases with an increase in r for weakly disassortative scale-free networks. We have also investigated the effects of degree correlation on the topology structure of scale-free gradient networks, and discussed the relation between the topology structure properties and transport efficiency of gradient networks.
Realized Bond-Stock Correlation: Macroeconomic Announcement Effects
DEFF Research Database (Denmark)
Christiansen, Charlotte; Ranaldo, Angelo
2005-01-01
We investigate the effects of macroeconomic announcements on the realized correlation between bond and stock returns. Our results deliver insights into the dominating drivers of bond-stock comovements. We find that it is not so much the surprise component of the announcement, but the mere fact...... that an announcement occurs that influences the realized bond-stock correlation. The impact of macroeconomic announcements varies across the business cycle. Announcement effects are highly dependent on the sign of the realized bond-stock correlation which has recently gone from positive to negative. Macroeconomic...
Correlation effects in a discrete quantum random walk
International Nuclear Information System (INIS)
Stang, J B; Rezakhani, A T; Sanders, B C
2009-01-01
We introduce memory-dependent discrete-time quantum random walk models by adding uncorrelated memory terms and also by modifying the Hamiltonian of the walker to include couplings with memory-keeping agents. We next study numerically the correlation effects in these models. We also propose a correlation exponent as a relevant and promising tool for investigation of correlation or memory (hence non-Markovian) effects. Our analysis can easily be applied to more realistic models in which different regimes may emerge because of competition between different underlying physical mechanisms
Östman, Erik; Arnalds, Unnar; Kapaklis, Vassilios; Hjörvarsson, Björgvin
2015-09-01
For a small island of a magnetic material the magnetic state of the island is mainly determined by the exchange interaction and the shape anisotropy. Two or more islands placed in close proximity will interact through dipolar interactions. The state of a large system will thus be dictated by interactions at both these length scales. Enabling internal thermal fluctuations, e.g. by the choice of material, of the individual islands allows for the study of thermal ordering in extended nano-patterned magnetic arrays [1,2]. As a result nano-magnetic arrays represent an ideal playground for the study of physical model systems. Here we present three different studies all having used magneto-optical imaging techniques to observe, in real space, the order of the systems. The first study is done on a square lattice of circular islands. The remanent magnetic state of each island is a magnetic vortex structure and we can study the temperature dependence of the vortex nucleation and annihilation fields [3]. The second are long chains of dipolar coupled elongated islands where the magnetization direction in each island only can point in one of two possible directions. This creates a system which in many ways mimics the Ising model [4] and we can relate the correlation length to the temperature. The third one is a spin ice system where elongated islands are placed in a square lattice. Thermal excitations in such systems resemble magnetic monopoles [2] and we can investigate their properties as a function of temperature and lattice parameters. [1] V. Kapaklis et al., New J. Phys. 14, 035009 (2012) [2] V. Kapaklis et al., Nature Nanotech 9, 514(2014) [3] E. Östman et al.,New J. Phys. 16, 053002 (2014) [4] E. Östman et al.,Thermal ordering in mesoscopic Ising chains, In manuscript.
Visualization of magnetic dipolar interaction based on scanning transmission X-ray microscopy
International Nuclear Information System (INIS)
Ohtori, Hiroyuki; Iwano, Kaoru; Takeichi, Yasuo; Ono, Kanta; Mitsumata, Chiharu; Yano, Masao; Kato, Akira; Miyamoto, Noritaka; Shoji, Tetsuya; Manabe, Akira
2014-01-01
Using scanning transmission X-ray microscopy (STXM), in this report we visualized the magnetic dipolar interactions in nanocrystalline Nd-Fe-B magnets and imaged their magnetization distributions at various applied fields. We calculated the magnetic dipolar interaction by analyzing the interaction between the magnetization at each point and those at the other points on the STXM image.
Observation of roton mode population in a dipolar quantum gas
Chomaz, L.; van Bijnen, R. M. W.; Petter, D.; Faraoni, G.; Baier, S.; Becher, J. H.; Mark, M. J.; Wächtler, F.; Santos, L.; Ferlaino, F.
2018-05-01
The concept of a roton, a special kind of elementary excitation forming a minimum of energy at finite momentum, has been essential for the understanding of the properties of superfluid 4He (ref. 1). In quantum liquids, rotons arise from the strong interparticle interactions, whose microscopic description remains debated2. In the realm of highly controllable quantum gases, a roton mode has been predicted to emerge due to magnetic dipole-dipole interactions despite their weakly interacting character3. This prospect has raised considerable interest4-12; yet roton modes in dipolar quantum gases have remained elusive to observations. Here we report experimental and theoretical studies of the momentum distribution in Bose-Einstein condensates of highly magnetic erbium atoms, revealing the existence of the long-sought roton mode. Following an interaction quench, the roton mode manifests itself with the appearance of symmetric peaks at well-defined finite momentum. The roton momentum follows the predicted geometrical scaling with the inverse of the confinement length along the magnetization axis. From the growth of the roton population, we probe the roton softening of the excitation spectrum in time and extract the corresponding imaginary roton gap. Our results provide a further step in the quest towards supersolidity in dipolar quantum gases13.
Effective capacity of multiple antenna channels: Correlation and keyhole
Zhong, Caijun
2012-01-01
In this study, the authors derive the effective capacity limits for multiple antenna channels which quantify the maximum achievable rate with consideration of link-layer delay-bound violation probability. Both correlated multiple-input single-output and multiple-input multiple-output keyhole channels are studied. Based on the closed-form exact expressions for the effective capacity of both channels, the authors look into the asymptotic high and low signal-to-noise ratio regimes, and derive simple expressions to gain more insights. The impact of spatial correlation on effective capacity is also characterised with the aid of a majorisation theory result. It is revealed that antenna correlation reduces the effective capacity of the channels and a stringent quality-of-service requirement causes a severe reduction in the effective capacity but can be alleviated by increasing the number of antennas. © 2012 The Institution of Engineering and Technology.
Yuan, Wen-Kui; Cui, Tao; Liu, Wei; Wen, Li-Rong; Li, Ming
2018-03-16
A new CuI/1,10-phen-catalyzed reaction for the synthesis of 3-ylideneoxindoles from readily available isatins and ethyl isocyanoacetate, in which ethyl isocyanoacetate acts as a latent two-carbon donor like the Wittig reagent, is reported. A tandem procedure including 1,3-dipolar cycloaddition/inverse 1,3-dipolar ring opening/olefination allows the preparation of 3-ylideneoxindoles with broad functional group tolerance.
Effects of Exponential Trends on Correlations of Stock Markets
Directory of Open Access Journals (Sweden)
Ai-Jing Lin
2014-01-01
Full Text Available Detrended fluctuation analysis (DFA is a scaling analysis method used to estimate long-range power-law correlation exponents in time series. In this paper, DFA is employed to discuss the long-range correlations of stock market. The effects of exponential trends on correlations of Hang Seng Index (HSI are investigated with emphasis. We find that the long-range correlations and the positions of the crossovers of lower order DFA appear to have no immunity to the additive exponential trends. Further, our analysis suggests that an increase in the DFA order increases the efficiency of eliminating on exponential trends. In addition, the empirical study shows that the correlations and crossovers are associated with DFA order and magnitude of exponential trends.
Long-range transverse Ising model built with dipolar condensates in two-well arrays
International Nuclear Information System (INIS)
Li, Yongyao; Pang, Wei; Xu, Jun; Lee, Chaohong; Malomed, Boris A; Santos, Luis
2017-01-01
Dipolar Bose–Einstein condensates in an array of double-well potentials realize an effective transverse Ising model with peculiar inter-layer interactions, that may result under proper conditions in an anomalous first-order ferromagnetic–antiferromagnetic phase transition, and non-trivial phases due to frustration. The considered setup allows as well for the study of Kibble–Zurek defect formation, whose kink statistics follows that expected from the universality class of the mean-field one-dimensional transverse Ising model. Furthermore, random occupation of each layer of the stack leads to random effective Ising interactions and local transverse fields, that may lead to the Anderson-like localization of imbalance perturbations. (paper)
Finite-correlation-time effects in the kinematic dynamo problem
International Nuclear Information System (INIS)
Schekochihin, Alexander A.; Kulsrud, Russell M.
2001-01-01
Most of the theoretical results on the kinematic amplification of small-scale magnetic fluctuations by turbulence have been confined to the model of white-noise-like (δ-correlated in time) advecting turbulent velocity field. In this work, the statistics of the passive magnetic field in the diffusion-free regime are considered for the case when the advecting flow is finite-time correlated. A new method is developed that allows one to systematically construct the correlation-time expansion for statistical characteristics of the field such as its probability density function or the complete set of its moments. The expansion is valid provided the velocity correlation time is smaller than the characteristic growth time of the magnetic fluctuations. This expansion is carried out up to first order in the general case of a d-dimensional arbitrarily compressible advecting flow. The growth rates for all moments of the magnetic-field strength are derived. The effect of the first-order corrections due to the finite correlation time is to reduce these growth rates. It is shown that introducing a finite correlation time leads to the loss of the small-scale statistical universality, which was present in the limit of the δ-correlated velocity field. Namely, the shape of the velocity time-correlation profile and the large-scale spatial structure of the flow become important. The latter is a new effect, that implies, in particular, that the approximation of a locally-linear shear flow does not fully capture the effect of nonvanishing correlation time. Physical applications of this theory include the small-scale kinematic dynamo in the interstellar medium and protogalactic plasmas
Selection effects on GRB spectral-energy correlations
International Nuclear Information System (INIS)
Nava, Lara; Ghirlanda, Giancarlo; Ghisellini, Gabriele
2009-01-01
Instrumental selection effects can act upon the estimates of the peak energy E peak obs , the fluence F and the peak flux P of GRBs. If this were the case, then the correlations involving the corresponding rest frame quantities (i.e. E peak , E obs and the peak luminosity L iso ) would be questioned. We estimated, as a function of E peak obs , the minimum peak flux necessary to trigger a GRB and the minimum fluence a burst must have to determine the value of E peak obs by considering different instruments (BATSE, Swift, BeppoSAX). We find that the latter dominates over the former. We then study the E peak obs -fluence (and flux) correlation in the observer plane. GRBs with redshift show well defined E peak obs -F and E peak obs -P correlations: in this planes the selection effects are present, but do not determine the found correlations. This is not true for Swift GRBs with redshift, for which the spectral analysis threshold does affect their distribution in the observer planes. Extending the sample to GRBs without z, we still find a significant E peak obs -F correlation, although with a larger scatter than that defined by GRBs with redshift. We find that 6% are outliers of the Amati correlation. The E peak obs -P correlation of GRBs with or without redshift is the same and no outlier is found among bursts without redshift.
Strong correlation effects on surfaces of topological insulators via holography
Seo, Yunseok; Song, Geunho; Sin, Sang-Jin
2017-07-01
We investigate the effects of strong correlation on the surface state of a topological insulator (TI). We argue that electrons in the regime of crossover from weak antilocalization to weak localization are strongly correlated, and calculate the magnetotransport coefficients of TIs using the gauge-gravity principle. Then, we examine the magnetoconductivity (MC) formula and find excellent agreement with the data of chrome-doped Bi2Te3 in the crossover regime. We also find that the cusplike peak in MC at low doping is absent, which is natural since quasiparticles disappear due to the strong correlation.
Instanton effects on CP-violating gluonic correlators
Mori, Shingo; Frison, Julien; Kitano, Ryuichiro; Matsufuru, Hideo; Yamada, Norikazu
2018-03-01
In order to better understand the role played by instantons behind nonperturbative dynamics, we investigate the instanton contributions to the gluonic two point correlation functions in the SU(2) YM theory. Pseudoscalar-scalar gluonic correlation functions are calculated on the lattice at various temperatures and compared with the instanton calculus. We discuss how the instanton effects emerge or disappear with temperature and try to provide the interpretation behind it.
Effects of correlations and disorder in quantum wires
International Nuclear Information System (INIS)
Neilson, D.; Thakur, J.S.
1998-01-01
We calculate electron-electron correlation effects in a one-dimensional electron liquid at low densities using the self-consistent scheme of Singwi, Tosi, Land and Sjolander (STLS). We determine the static structure factor S(q) and plasmon dispersion for different electron densities. We also include the effects of disorder and calculate the dependence of correlation effects on the electron scattering rate off disorder. Using the scattering rate 7 we determine transport properties like the mean-free path, the peak mobility and the boundary between weak and strong localisation phases. We note a relation between the peak mobility and this boundary. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)
Srivastava, Madhur; Freed, Jack H
2017-11-16
Regularization is often utilized to elicit the desired physical results from experimental data. The recent development of a denoising procedure yielding about 2 orders of magnitude in improvement in SNR obviates the need for regularization, which achieves a compromise between canceling effects of noise and obtaining an estimate of the desired physical results. We show how singular value decomposition (SVD) can be employed directly on the denoised data, using pulse dipolar electron spin resonance experiments as an example. Such experiments are useful in measuring distances and their distributions, P(r) between spin labels on proteins. In noise-free model cases exact results are obtained, but even a small amount of noise (e.g., SNR = 850 after denoising) corrupts the solution. We develop criteria that precisely determine an optimum approximate solution, which can readily be automated. This method is applicable to any signal that is currently processed with regularization of its SVD analysis.
International Nuclear Information System (INIS)
Hauke, Philipp; Cucchietti, Fernando M; Lewenstein, Maciej; Mueller-Hermes, Alexander; Banuls, Mari-Carmen; Ignacio Cirac, J
2010-01-01
Systems with long-range interactions show a variety of intriguing properties: they typically accommodate many metastable states, they can give rise to spontaneous formation of supersolids, and they can lead to counterintuitive thermodynamic behavior. However, the increased complexity that comes with long-range interactions strongly hinders theoretical studies. This makes a quantum simulator for long-range models highly desirable. Here, we show that a chain of trapped ions can be used to quantum simulate a one-dimensional (1D) model of hard-core bosons with dipolar off-site interaction and tunneling, equivalent to a dipolar XXZ spin-1/2 chain. We explore the rich phase diagram of this model in detail, employing perturbative mean-field theory, exact diagonalization and quasi-exact numerical techniques (density-matrix renormalization group and infinite time-evolving block decimation). We find that the complete devil's staircase-an infinite sequence of crystal states existing at vanishing tunneling-spreads to a succession of lobes similar to the Mott lobes found in Bose-Hubbard models. Investigating the melting of these crystal states at increased tunneling, we do not find (contrary to similar 2D models) clear indications of supersolid behavior in the region around the melting transition. However, we find that inside the insulating lobes there are quasi-long-range (algebraic) correlations, as opposed to models with nearest-neighbor tunneling, that show exponential decay of correlations.
Temporal correlations and structural memory effects in break junction measurements
DEFF Research Database (Denmark)
Magyarkuti, A.; Lauritzen, Kasper Primdal; Balogh, Zoltan Imre
2017-01-01
that correlations between the opening and subsequent closing traces may indicate structural memory effects in atomic-sized metallic and molecular junctions. Applying these methods on measured and simulated gold metallic contacts as a test system, we show that the surface diffusion induced flattening of the broken......-molecule junctions, we demonstrate pronounced contact memory effects and recovery of the molecule for junctions breaking before atomic chains are formed. However, if chains are pulled the random relaxation of the chain and molecule after rupture prevents opening-closing correlations....
Correlation theory of crystal field and anisotropic exchange effects
DEFF Research Database (Denmark)
Lindgård, Per-Anker
1985-01-01
A general theory for including correlation effects in static and dynamic properties is presented in terms of Raccah or Stevens operators. It is explicitly developed for general crystal fields and anisotropic interactions and systems with several sublattices, like the rare earth compounds....... The theory gives explicitly a temperature dependent renormalization of both the crystal field and the interactions, and a damping of the excitations and in addition a central park component. The general theory is illustrated by a discussion of the singlet-doublet system. The correlation effects...
Electron Jet Detected by MMS at Dipolarization Front
Liu, C. M.; Fu, H. S.; Vaivads, A.; Khotyaintsev, Y. V.; Gershman, D. J.; Hwang, K.-J.; Chen, Z. Z.; Cao, D.; Xu, Y.; Yang, J.; Peng, F. Z.; Huang, S. Y.; Burch, J. L.; Giles, B. L.; Ergun, R. E.; Russell, C. T.; Lindqvist, P.-A.; Le Contel, O.
2018-01-01
Using MMS high-resolution measurements, we present the first observation of fast electron jet (Ve 2,000 km/s) at a dipolarization front (DF) in the magnetotail plasma sheet. This jet, with scale comparable to the DF thickness ( 0.9 di), is primarily in the tangential plane to the DF current sheet and mainly undergoes the E × B drift motion; it contributes significantly to the current system at the DF, including a localized ring-current that can modify the DF topology. Associated with this fast jet, we observed a persistent normal electric field, strong lower hybrid drift waves, and strong energy conversion at the DF. Such strong energy conversion is primarily attributed to the electron-jet-driven current (E ṡ je ≈ 2 E ṡ ji), rather than the ion current suggested in previous studies.
Parthasarathy, Venkatakrishnan; Fery-Forgues, Suzanne; Campioli, Elisa; Recher, Gaëlle; Terenziani, Francesca; Blanchard-Desce, Mireille
2011-11-18
Two related triphenylamine-based dipolar and octupolar fluorophores are used to prepare aqueous suspensions of fluorescent organic nanoparticles (FONs) via the reprecipitation method. The obtained spherical nanoparticles (30-40 nm in diameter) are fluorescent in aqueous solution (up to 15% fluorescence quantum yield) and exhibit extremely high one- and two-photon brightness, superior to those obtained for quantum dots. Despite the two chromophores showing similar fluorescence in solution, the fluorescence of FONs made from the octupolar derivative is significantly red-shifted compared to that generated by the dipolar FONs. In addition, the maximum two-photon absorption cross section of the FONs made from the octupolar derivative is 55% larger than that of the dipolar derivative FONs. The experimental observations provide evidence that the different molecular shape (rodlike versus three-branched) and charge distribution (dipolar versus octupolar) of the two chromophores strongly affect the packing inside the nanoparticles as well as their spectroscopic properties and colloidal stability in pure water. The use of these FONs as probes for biphotonic in-vivo imaging is investigated on Xenopus laevis tadpoles to test their utilization for angiography. When using FONs made from the octupolar dye, the formation of microagglomerates (2-5 μm scale) is observed in vivo, with subsequent lethal occlusion of the blood vessels. Conversely, the nanoparticles of the dipolar dye allow acute imaging of blood vessels thanks to their suitable size and brightness, while no toxic effect is observed. Such a goal cannot be achieved with the dissolved dye, which permeates the vessel walls. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Equilibrium phases of dipolar lattice bosons in the presence of random diagonal disorder
Zhang, C.; Safavi-Naini, A.; Capogrosso-Sansone, B.
2018-01-01
Ultracold gases offer an unprecedented opportunity to engineer disorder and interactions in a controlled manner. In an effort to understand the interplay between disorder, dipolar interactions, and quantum degeneracy, we study two-dimensional hard-core dipolar lattice bosons in the presence of on-site bound disorder. Our results are based on large-scale path-integral quantum Monte Carlo simulations by the worm algorithm. We study the ground-state phase diagram at a fixed half-integer filling factor for which the clean system is either a superfluid at a lower dipolar interaction strength or a checkerboard solid at a larger dipolar interaction strength. We find that, even for weak dipolar interactions, superfluidity is destroyed in favor of a Bose glass at a relatively low disorder strength. Interestingly, in the presence of disorder, superfluidity persists for values of the dipolar interaction strength for which the clean system is a checkerboard solid. At a fixed disorder strength, as the dipolar interaction is increased, superfluidity is destroyed in favor of a Bose glass. As the interaction is further increased, the system eventually develops extended checkerboard patterns in the density distribution. Due to the presence of disorder, though, grain boundaries and defects, responsible for a finite residual compressibility, are present in the density distribution. Finally, we study the robustness of the superfluid phase against thermal fluctuations.
Modeling Correlation Effects in Nickelates with Slave Particles
Georgescu, Alexandru Bogdan; Ismail-Beigi, Sohrab
Nickelate interfaces display interesting electronic properties including orbital ordering similar to that of cuprate superconductors and thickness dependent metal-insulator transitions. One-particle band theory calculations do not include dynamic localized correlation effects on the nickel sites and thus often incorrectly predict metallic systems or incorrect ARPES spectra. Building on two previous successful slave-particle treatments of local correlations, we present a generalized slave-particle method that includes prior models and allows us to produce new intermediate models. The computational efficiency of these slave-boson methods means that one can readily study correlation effects in complex heterostructures. We show some predictions of these methods for the electronic structure of bulk and thin film nickelates. Work supported by NSF Grant MRSEC DMR-1119826.
Particle-in-cell Simulation of Dipolarization Front Associated Whistlers
Lin, D.; Scales, W.; Ganguli, G.; Crabtree, C. E.
2017-12-01
Dipolarization fronts (DFs) are dipolarized magnetic field embedded in the Earthward propagating bursty bulk flows (BBFs), which separates the hot, tenuous high-speed flow from the cold, dense, and slowly convecting surrounding plasma [Runov et al. 2011]. Broadband fluctuations have been observed at DFs including the electromagnetic whistler waves and electrostatic lower hybrid waves in the Very Low Frequency (VLF) range [e.g., Zhou et al. 2009, Deng et al. 2010]. There waves are suggested to be able heat electrons and play a critical role in the plasma sheet dynamics [Chaston et al., 2012, Angelopoulos et al., 2013]. However, their generation mechanism and role in the energy conversion are still under debate. The gradient scale of magnetic field, plasma density at DFs in the near-Earth magnetotail is comparable to or lower than the ion gyro radius [Runov et al., 2011, Fu et al., 2012, Breuillard et al., 2016]. Such strongly inhomogeneous configuration could be unstable to the electron-ion hybrid (EIH) instability, which arises from strongly sheared transverse flow and is in the VLF range [Ganguli et al. 1988, Ganguli et al. 2014]. The equilibrium of the EIH theory implies an anisotropy of electron temperature, which are likely to drive the whistler waves observed in DFs [Deng et al., 2010, Gary et al., 2011]. In order to better understand how the whistler waves are generated in DFs and whether the EIH theory is applicable, a fully electromagnetic particle-in-cell (EMPIC) model is used to simulate the EIH instability with similar equilibrium configurations in DF observations. The EMPIC model deals with three dimensions in the velocity space and two dimensions in the configuration space, which is quite ready to include the third configuration dimension. Simulation results will be shown in this presentation.
The Effect of Error Correlation on Interfactor Correlation in Psychometric Measurement
Westfall, Peter H.; Henning, Kevin S. S.; Howell, Roy D.
2012-01-01
This article shows how interfactor correlation is affected by error correlations. Theoretical and practical justifications for error correlations are given, and a new equivalence class of models is presented to explain the relationship between interfactor correlation and error correlations. The class allows simple, parsimonious modeling of error…
Energetic Electron Acceleration and Injection During Dipolarization Events in Mercury's Magnetotail
Dewey, Ryan M.; Slavin, James A.; Raines, Jim M.; Baker, Daniel N.; Lawrence, David J.
2017-12-01
Energetic particle bursts associated with dipolarization events within Mercury's magnetosphere were first observed by Mariner 10. The events appear analogous to particle injections accompanying dipolarization events at Earth. The Energetic Particle Spectrometer (3 s resolution) aboard MESSENGER determined the particle bursts are composed entirely of electrons with energies ≳ 300 keV. Here we use the Gamma-Ray Spectrometer high-time-resolution (10 ms) energetic electron measurements to examine the relationship between energetic electron injections and magnetic field dipolarization in Mercury's magnetotail. Between March 2013 and April 2015, we identify 2,976 electron burst events within Mercury's magnetotail, 538 of which are closely associated with dipolarization events. These dipolarizations are detected on the basis of their rapid ( 2 s) increase in the northward component of the tail magnetic field (ΔBz 30 nT), which typically persists for 10 s. Similar to those at Earth, we find that these dipolarizations appear to be low-entropy, depleted flux tubes convecting planetward following the collapse of the inner magnetotail. We find that electrons experience brief, yet intense, betatron and Fermi acceleration during these dipolarizations, reaching energies 130 keV and contributing to nightside precipitation. Thermal protons experience only modest betatron acceleration. While only 25% of energetic electron events in Mercury's magnetotail are directly associated with dipolarization, the remaining events are consistent with the Near-Mercury Neutral Line model of magnetotail injection and eastward drift about Mercury, finding that electrons may participate in Shabansky-like closed drifts about the planet. Magnetotail dipolarization may be the dominant source of energetic electron acceleration in Mercury's magnetosphere.
Stacking of purines in water: the role of dipolar interactions in caffeine.
Tavagnacco, L; Di Fonzo, S; D'Amico, F; Masciovecchio, C; Brady, J W; Cesàro, A
2016-05-11
During the last few decades it has been ascertained that base stacking is one of the major contributions stabilizing nucleic acid conformations. However, the understanding of the nature of the interactions involved in the stacking process remains under debate and it is a subject of theoretical and experimental studies. Structural similarity between purine bases (guanine and adenine) in DNA and the caffeine molecule makes caffeine an excellent model for the purine bases. The present study clearly shows that dipolar interactions play a fundamental role in determining stacking of purine molecules in solution. In order to reach this achievement, polarized ultraviolet Raman resonant scattering experiments have been carried out on caffeine aqueous solutions as a function of concentration and temperature. The investigation pointed out at the aggregation and solvation properties, particularly at elevated temperatures. Kubo-Anderson theory was used as a framework to investigate the non-coincidence effect (NCE) occurring in the totally symmetric breathing modes of the purine rings, and in the bending modes of the methyl groups of caffeine. The NCE concentration dependence shows that caffeine aggregation at 80 °C occurs by planar stacking of the hydrophobic faces. The data clearly indicate that dipolar interactions determine the reorientational motion of the molecules in solution and are the driving force for the stacking of caffeine. In parallel, the observed dephasing times imply a change in caffeine interactions as a function of temperature and concentration. A decrease, at low water content, of the dephasing time for the ring breathing vibration mode indicates that self-association alters the solvation structure that is detectable at low concentration. These results are in agreement with simulation predictions and serve as an important validation of the models used in those calculations.
Nuclear magnetic relaxation by the dipolar EMOR mechanism: Multi-spin systems
Chang, Zhiwei; Halle, Bertil
2017-08-01
In aqueous systems with immobilized macromolecules, including biological tissues, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have previously developed a rigorous EMOR relaxation theory for dipole-coupled two-spin and three-spin systems. Here, we extend the stochastic Liouville theory to four-spin systems and use these exact results as a guide for constructing an approximate multi-spin theory, valid for spin systems of arbitrary size. This so-called generalized stochastic Redfield equation (GSRE) theory includes the effects of longitudinal-transverse cross-mode relaxation, which gives rise to an inverted step in the relaxation dispersion profile, and coherent spin mode transfer among solid-like spins, which may be regarded as generalized spin diffusion. The GSRE theory is compared to an existing theory, based on the extended Solomon equations, which does not incorporate these phenomena. Relaxation dispersion profiles are computed from the GSRE theory for systems of up to 16 protons, taken from protein crystal structures. These profiles span the range from the motional narrowing limit, where the coherent mode transfer plays a major role, to the ultra-slow motion limit, where the zero-field rate is closely related to the strong-collision limit of the dipolar relaxation rate. Although a quantitative analysis of experimental data is beyond the scope of this work, it is clear from the magnitude of the predicted relaxation rate and the shape of the relaxation dispersion profile that the dipolar EMOR mechanism is the principal cause of water-1H low-field longitudinal relaxation in aqueous systems of immobilized macromolecules, including soft biological tissues. The relaxation theory developed here therefore provides a basis for molecular-level interpretation of endogenous soft
Low temperature structural transitions in dipolar hard spheres: The influence on magnetic properties
International Nuclear Information System (INIS)
Ivanov, A.O.; Kantorovich, S.S.; Rovigatti, L.; Tavares, J.M.; Sciortino, F.
2015-01-01
We investigate the structural chain-to-ring transition at low temperature in a gas of dipolar hard spheres (DHS). Due to the weakening of entropic contribution, ring formation becomes noticeable when the effective dipole–dipole magnetic interaction increases. It results in the redistribution of particles from usually observed flexible chains into flexible rings. The concentration (ρ) of DHS plays a crucial part in this transition: at a very low ρ only chains and rings are observed, whereas even a slight increase of the volume fraction leads to the formation of branched or defect structures. As a result, the fraction of DHS aggregated in defect-free rings turns out to be a non-monotonic function of ρ. The average ring size is found to be a slower increasing function of ρ when compared to that of chains. Both theory and computer simulations confirm the dramatic influence of the ring formation on the ρ-dependence of the initial magnetic susceptibility (χ) when the temperature decreases. The rings due to their zero total dipole moment are irresponsive to a weak magnetic field and drive to the strong decrease of the initial magnetic susceptibility. - Highlights: • Found structural chain-to-ring transition at low temperature sheds the light on the no-man's-land of the phase diagram of dipolar hard sphere gas. • Particle concentration plays a crucial part: at high dilution only chains and rings are observed, otherwise different branched structures occur. • The dramatic influence of the ring formation on the concentration dependence of the initial magnetic susceptibility when temperature decreases
Final state interaction effect on correlations in narrow particles pairs
International Nuclear Information System (INIS)
Lednicky, R.; Lyuboshitz, V.L.
1990-01-01
In this paper the dependence of the two-particle correlation function on the space-time dimensions of the particle production region is discussed. The basic formulae, taking into account he effects of quantum statistics and final state interaction, and the conditions of their applicability are given
Correlation effects in the Ising model in an external field
International Nuclear Information System (INIS)
Borges, H.E.; Silva, P.R.
1983-01-01
The thermodynamic properties of the spin-1/2 Ising Model in an external field are evaluated through the use of the exponential differential operator method and Callen's exact relations. The correlations effects are treated in a phenomenological approach and the results are compared with other treatments. (Author) [pt
Kinetic description of the total photoabsorption cross section: correlation effects
International Nuclear Information System (INIS)
Ferreira Filho, L.G.; Nemes, M.C.
1986-02-01
It is shown that the inclusion of correlation effects in describing the nuclear photoabsorption cross section leads to a Breit-Wigner type curve with energy dependent width. It is also shown that a very slow energy dependence is enough to reproduce the data up to ∼ 139 MeV. (Author) [pt
Chiral-glass transition in a diluted dipolar-interaction Heisenberg system
International Nuclear Information System (INIS)
Zhang Kaicheng; Liu Guibin; Zhu Yan
2011-01-01
Recently, numerical simulations reveal that a spin-glass transition can occur in the three-dimensional diluted dipolar system. By defining the chirality of triple spins in a diluted dipolar Heisenberg spin glass, we study the chiral ordering in the system using parallel tempering algorithm and heat bath method. The finite-size scaling analysis reveals that the system undergoes a chiral-glass transition at finite temperature. - Highlights: → We define the chirality in a diluted dipolar Heisenberg system. → The system undergoes a chiral-glass transition at finite temperature. → We extract the critical exponents of the chiral-glass transition.
Expansion effects on back-to-back correlations
Energy Technology Data Exchange (ETDEWEB)
Padula, S.S.; Krein, G. [Instituto de Fisica Teorica (IFT), Sao Paulo, SP (Brazil)]. E-mail: padula@ift.unesp.br; Csoerg, T.; Panda, P.K. [Central Research Institute for Physics (KFKI), Budapest (Hungary). Research Institute for Particle and Nuclear Physics (RMKI); Hama, Y. [Santa Catarina Univ., Florianopolis, SC (Brazil). Centro de Ciencias Fisicas e Matematicas. Dept. de Fisica
2004-07-01
The back-to-back correlations (BBC) of particle-antiparticle pairs, signalling in-medium mass modification, are studied in a finite size thermalized medium. The width of BBC function is explicitly evaluated in the case of a nonrelativistic spherically symmetric expanding fireball. The effect of the flow is to reduce the BBC signal as compared to the case of non flow. Nevertheless, a significant signal survives finite-time emission plus expansion effects. (author)
Expansion effects on back-to-back correlations
International Nuclear Information System (INIS)
Padula, S.S.; Krein, G.; Csoerg, T.; Panda, P.K.; Hama, Y.
2004-01-01
The back-to-back correlations (BBC) of particle-antiparticle pairs, signalling in-medium mass modification, are studied in a finite size thermalized medium. The width of BBC function is explicitly evaluated in the case of a nonrelativistic spherically symmetric expanding fireball. The effect of the flow is to reduce the BBC signal as compared to the case of non flow. Nevertheless, a significant signal survives finite-time emission plus expansion effects. (author)
Expansion Effects on Back-to-Back Correlations
International Nuclear Information System (INIS)
Padula, S.S.; Krein, G.; Csoergo, T.; Hama, Y.; Panda, P.K.
2004-01-01
The back-to-back correlations (BBC) of particle-antiparticle pairs, signalling in-medium mass modification, are studied in a finite size thermalized medium. The width of BBC function is explicitly evaluated in the case of a nonrelativistic spherically symmetric expanding fireball. The effect of the flow is to reduce the BBC signal as compared to the case of non flow. Nevertheless, a significant signal survives finite-time emission plus expansion effects
Genomic Model with Correlation Between Additive and Dominance Effects.
Xiang, Tao; Christensen, Ole Fredslund; Vitezica, Zulma Gladis; Legarra, Andres
2018-05-09
Dominance genetic effects are rarely included in pedigree-based genetic evaluation. With the availability of single nucleotide polymorphism markers and the development of genomic evaluation, estimates of dominance genetic effects have become feasible using genomic best linear unbiased prediction (GBLUP). Usually, studies involving additive and dominance genetic effects ignore possible relationships between them. It has been often suggested that the magnitude of functional additive and dominance effects at the quantitative trait loci are related, but there is no existing GBLUP-like approach accounting for such correlation. Wellmann and Bennewitz showed two ways of considering directional relationships between additive and dominance effects, which they estimated in a Bayesian framework. However, these relationships cannot be fitted at the level of individuals instead of loci in a mixed model and are not compatible with standard animal or plant breeding software. This comes from a fundamental ambiguity in assigning the reference allele at a given locus. We show that, if there has been selection, assigning the most frequent as the reference allele orients the correlation between functional additive and dominance effects. As a consequence, the most frequent reference allele is expected to have a positive value. We also demonstrate that selection creates negative covariance between genotypic additive and dominance genetic values. For parameter estimation, it is possible to use a combined additive and dominance relationship matrix computed from marker genotypes, and to use standard restricted maximum likelihood (REML) algorithms based on an equivalent model. Through a simulation study, we show that such correlations can easily be estimated by mixed model software and accuracy of prediction for genetic values is slightly improved if such correlations are used in GBLUP. However, a model assuming uncorrelated effects and fitting orthogonal breeding values and dominant
Mao, Zhuo-Ya; Liu, Yi-Wen; Han, Pan; Dong, Han-Qing; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang
2018-02-16
An efficient and step-economical approach to access functionalized pyrrolizidine derivatives by a one-pot tandem sequence, including an aldol condensation and subsequent 1,3-dipolar cycloaddition process, has been developed, starting from acetone, aldehyde, and proline. A number of substituted aromatic aldehydes were amenable to this transformation, and the desired products, racemic 7a-7w and chiral 9a-9m, were obtained with excellent regioselectivities and outstanding diastereoselectivities. Moreover, in situ NMR studies revealed MgSO 4 could effectively promote the aldol condensation pathway in this tandem process.
International Nuclear Information System (INIS)
Deville, G.
1976-01-01
Anisotropic nuclear relaxation times have been measured in solid 3 He samples grown at constant pressure, in the Larmor frequency range 1.5MHz-5MHz where the main relaxation mechanism is the modulation of the dipolar interaction by exchange or by motion of the vacancies. The second order calculation made by Harris for the exchange induced relaxation regime is extended to the regime where vacancy motion dominates. The theory is further refined by considering the fourth moment anisotropy effect on the spectral densities. This latter calculation yields a frequency dependent anisotropic contribution to T 1 which agrees qualitatively with the data, unlike the simpler results by Harris [fr
Gamma-ray Burst Prompt Correlations: Selection and Instrumental Effects
Dainotti, M. G.; Amati, L.
2018-05-01
The prompt emission mechanism of gamma-ray bursts (GRB) even after several decades remains a mystery. However, it is believed that correlations between observable GRB properties, given their huge luminosity/radiated energy and redshift distribution extending up to at least z ≈ 9, are promising possible cosmological tools. They also may help to discriminate among the most plausible theoretical models. Nowadays, the objective is to make GRBs standard candles, similar to supernovae (SNe) Ia, through well-established and robust correlations. However, differently from SNe Ia, GRBs span over several order of magnitude in their energetics, hence they cannot yet be considered standard candles. Additionally, being observed at very large distances, their physical properties are affected by selection biases, the so-called Malmquist bias or Eddington effect. We describe the state of the art on how GRB prompt correlations are corrected for these selection biases to employ them as redshift estimators and cosmological tools. We stress that only after an appropriate evaluation and correction for these effects, GRB correlations can be used to discriminate among the theoretical models of prompt emission, to estimate the cosmological parameters and to serve as distance indicators via redshift estimation.
Regio- and stereochemistry of 1,3-dipolar cycloaddition of nitrile oxides to alkenes
International Nuclear Information System (INIS)
Litvinovskaya, Raisa P; Khripach, Vladimir A
2001-01-01
The published data on the chemistry of intermolecular 1,3-dipolar cycloaddition of nitrile oxides to different types of alkene derivatives are systematised. Various aspects of stereo- and regiochemistry of this reaction are considered. The bibliography includes 182 references.
Cluster-cluster aggregation of Ising dipolar particles under thermal noise
Suzuki, Masaru; Kun, Ferenc; Ito, Nobuyasu
2009-01-01
The cluster-cluster aggregation processes of Ising dipolar particles under thermal noise are investigated in the dilute condition. As the temperature increases, changes in the typical structures of clusters are observed from chainlike (D1
Statistical mechanics of molecular fluids. The RHNC theory applied to hard dipolar spheres
International Nuclear Information System (INIS)
Lombardero, M.; Lado, F.; Abascal, J.L.F.; Lago, S.; Enciso, E.
1988-01-01
The RHNC (reference hipernetted chain) equation, together with an optimization criterion which extremalizes the Helmholtz free energy, is used to obtain structural, thermodynamic, and dielectric properties of a system made up of hard dipolar spheres. The comparison with simulation results is made in the same boundary conditions and then the properties of an infinite system are evaluated for a variaty of states at different densities and dipolar moments. (Author)
Energetic electron injections and dipolarization events in Mercury's magnetotail: Substorm dynamics
Dewey, R. M.; Slavin, J. A.; Raines, J. M.; Imber, S.; Baker, D. N.; Lawrence, D. J.
2017-12-01
Despite its small size, Mercury's terrestrial-like magnetosphere experiences brief, yet intense, substorm intervals characterized by features similar to at Earth: loading/unloading of the tail lobes with open magnetic flux, dipolarization of the magnetic field at the inner edge of the plasma sheet, and, the focus of this presentation, energetic electron injection. We use the Gamma-Ray Spectrometer's high-time resolution (10 ms) energetic electron measurements to determine the relationship between substorm activity and energetic electron injections coincident with dipolarization fronts in the magnetotail. These dipolarizations were detected on the basis of their rapid ( 2 s) increase in the northward component of the tail magnetic field (ΔBz 30 nT), which typically persists for 10 s. We estimate the typical flow channel to be 0.15 RM, planetary convection speed of 750 km/s, cross-tail potential drop of 7 kV, and flux transport of 0.08 MWb for each dipolarization event, suggesting multiple simultaneous and sequential dipolarizations are required to unload the >1 MWb of magnetic flux typically returned to the dayside magnetosphere during a substorm interval. Indeed, while we observe most dipolarization-injections to be isolated or in small chains of events (i.e., 1-3 events), intervals of sawtooth-like injections with >20 sequential events are also present. The typical separation between dipolarization-injection events is 10 s. Magnetotail dipolarization, in addition to being a powerful source of electron acceleration, also plays a significant role in the substorm process at Mercury.
Quantum dust magnetosonic waves with spin and exchange correlation effects
Energy Technology Data Exchange (ETDEWEB)
Maroof, R.; Qamar, A. [Department of Physics, University of Peshawar, Peshawar 25000 (Pakistan); Mushtaq, A. [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); National Center for Physics, Shahdra Valley Road, Islamabad 44000 (Pakistan)
2016-01-15
Dust magnetosonic waves are studied in degenerate dusty plasmas with spin and exchange correlation effects. Using the fluid equations of magnetoplasma with quantum corrections due to the Bohm potential, temperature degeneracy, spin magnetization energy, and exchange correlation, a generalized dispersion relation is derived. Spin effects are incorporated via spin force and macroscopic spin magnetization current. The exchange-correlation potentials are used, based on the adiabatic local-density approximation, and can be described as a function of the electron density. For three different values of angle, the dispersion relation is reduced to three different modes under the low frequency magnetohydrodynamic assumptions. It is found that the effects of quantum corrections in the presence of dust concentration significantly modify the dispersive properties of these modes. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects (e.g., the cores of white dwarf stars and giant planets) and in plasma-assisted nanotechnology (e.g., quantum diodes, quantum free-electron lasers, etc.)
Quantum dust magnetosonic waves with spin and exchange correlation effects
Maroof, R.; Mushtaq, A.; Qamar, A.
2016-01-01
Dust magnetosonic waves are studied in degenerate dusty plasmas with spin and exchange correlation effects. Using the fluid equations of magnetoplasma with quantum corrections due to the Bohm potential, temperature degeneracy, spin magnetization energy, and exchange correlation, a generalized dispersion relation is derived. Spin effects are incorporated via spin force and macroscopic spin magnetization current. The exchange-correlation potentials are used, based on the adiabatic local-density approximation, and can be described as a function of the electron density. For three different values of angle, the dispersion relation is reduced to three different modes under the low frequency magnetohydrodynamic assumptions. It is found that the effects of quantum corrections in the presence of dust concentration significantly modify the dispersive properties of these modes. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects (e.g., the cores of white dwarf stars and giant planets) and in plasma-assisted nanotechnology (e.g., quantum diodes, quantum free-electron lasers, etc.).
AC susceptibility as a tool to probe the dipolar interaction in magnetic nanoparticles
Energy Technology Data Exchange (ETDEWEB)
Landi, Gabriel T., E-mail: gtlandi@gmail.com [Universidade Federal do ABC, 09210-580 Santo André (Brazil); Arantes, Fabiana R. [Universidade Federal do ABC, 09210-580 Santo André (Brazil); Cornejo, Daniel R. [Instituto de Física da Universidade de São Paulo, São Paulo 05508-090 (Brazil); Bakuzis, Andris F. [Instituto de Física, Universidade Federal de Goiás, 74690-900 Goiânia-GO (Brazil); Andreu, Irene; Natividad, Eva [Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC-Universidad de Zaragoza, Zaragoza 50018 (Spain)
2017-01-01
The dipolar interaction is known to substantially affect the properties of magnetic nanoparticles. This is particularly important when the particles are kept in a fluid suspension or packed within nano-carriers. In addition to its usual long-range nature, in these cases the dipolar interaction may also induce the formation of clusters of particles, thereby strongly modifying their magnetic anisotropies. In this paper we show how AC susceptibility may be used to obtain information regarding the influence of the dipolar interaction in a sample. We develop a model which includes both aspects of the dipolar interaction and may be fitted directly to the susceptibility data. The usual long-range nature of the interaction is implemented using a mean-field approximation, whereas the particle-particle aggregation is modeled using a distribution of anisotropy constants. The model is then applied to two samples studied at different concentrations. One consists of spherical magnetite nanoparticles dispersed in oil and the other of cubic magnetite nanoparticles embedded on polymeric nanospheres. We also introduce a simple technique to address the presence of the dipolar interaction in a given sample, based on the height of the AC susceptibility peaks for different driving frequencies. - Highlights: We discuss the importance of the dipolar interaction in magnetic nanoparticle samples. It is shown that AC susceptibility may be used to estimate the extent of this interaction. We develop a model that accounts for particle aggregation. The theoretical model is then fitted to distinct magnetite samples.
Correlation effects in side-coupled quantum dots
International Nuclear Information System (INIS)
Zitko, R; Bonca, J
2007-01-01
Using Wilson's numerical renormalization group (NRG) technique, we compute zero-bias conductance and various correlation functions of a double quantum dot (DQD) system. We present different regimes within a phase diagram of the DQD system. By introducing a negative Hubbard U on one of the quantum dots, we simulate the effect of electron-phonon coupling and explore the properties of the coexisting spin and charge Kondo state. In a triple quantum dot (TQD) system, a multi-stage Kondo effect appears where localized moments on quantum dots are screened successively at exponentially distinct Kondo temperatures
Correlated effective field theory in transition metal compounds
International Nuclear Information System (INIS)
Mukhopadhyay, Subhasis; Chatterjee, Ibha
2004-01-01
Mean field theory is good enough to study the physical properties at higher temperatures and in higher dimensions. It explains the critical phenomena in a restricted sense. Near the critical temperatures, when fluctuations become important, it may not give the correct results. Similarly in low dimensions, the correlations become important and the mean field theory seems to be inadequate to explain the physical phenomena. At low-temperatures too, the quantum correlations become important and these effects are to be treated in an appropriate way. In 1974, Prof. M.E. Lines of Bell Laboratories, developed a theory which goes beyond the mean field theory and is known as the correlated effective field (CEF) theory. It takes into account the fluctuations in a semiempirical way. Lines and his collaborators used this theory to explain the short-range correlations and their anisotropy in the paramagnetic phase. Later Suzuki et al., Chatterjee and Desai, Mukhopadhyay and Chatterjee applied this theory to the magnetically ordered phase and a tremendous success of the theory has been found in real systems. The success of the CEF theory is discussed in this review. In order to highlight the success of this theory, earlier effective field theories and their improvements over mean field theories e.g., Bethe-Peierls-Weiss method, reaction field approximation, etc., are also discussed in this review for completeness. The beauty of the CEF theory is that it is mean field-like, but captures the essential physics of real systems to a great extent. However, this is a weak correlated theory and as a result is inappropriate for the metallic phase when strong correlations become important. In recent times, transition metal oxides become important due to the discovery of the high-temperature superconductivity and the colossal magnetoresistance phenomena. These oxides seem to be Mott insulators and undergo an insulator to metal transition by applying magnetic field, pressure and by changing
Correlation effects on transition probabilities in Mo vi
International Nuclear Information System (INIS)
Froese Fischer, Charlotte
2011-01-01
The effect of correlation on transition probabilities for transitions in Mo vi from 4p 6 4d 2 D and 4p 6 5s 2 S to 4p 6 4f, 4p 6 5p, 4p 6 5f, 4p 5 4d 2 with J = 1/2-7/2 is investigated. Non-relativistic correlation studies show the near degeneracy of 4p 5 4d 2 ( 3 F) 2 F o and 4p 5 4d 2 ( 1 G) 2 F o configuration state functions and their strong interaction with 4p 6 5f 2 F o . The multiconfiguration Dirac-Hartree-Fock method is used to include relativistic effects and correlation simultaneously. Wavefunction composition is compared with other theory and with the least-squares fitted values recently published by Reader (2010 J. Phys. B: At. Mol. Opt. Phys. 43 074024). Transition probability data are provided along with data required for accessing accuracy. Results are compared with other published values.
Effects of solute--solvent attractive forces on hydrophobic correlations
International Nuclear Information System (INIS)
Pratt, L.R.; Chandler, D.
1980-01-01
A theory is presented for the effect of slowly varying attractive forces on correlations between nonpolar solutes in dilute aqueous solution. We find that hydrophobic correlations are sensitive to relatively long range slowly varying interactions. Thus, it is possible to make qualitative changes in these correlations by introducing small changes in the attractive forces. Several model calculations are presented to illustrate these facts. The contributions of the Lennard-Jones attractive forces to the computer simulation results of Pangali, Rao, and Berne are calculated. For this case it is found that the potential of mean force between spherical nonpolar solutes is hardly affected by inclusion of attractive forces. However, the osmotic second virial coefficient is dominated by the contributions of the attractive forces. For spherical solutes which provide a reasonable model for the methane molecule, inclusion of attractive forces produces a qualitative change in the methane--methane potential of mean force. The connection between these effects of slowly varying attractive forces and the enthalpic part of Ben-Naim's deltaA/sup H/I is discussed
Effective Perron-Frobenius eigenvalue for a correlated random map
Pool, Roman R.; Cáceres, Manuel O.
2010-09-01
We investigate the evolution of random positive linear maps with various type of disorder by analytic perturbation and direct simulation. Our theoretical result indicates that the statistics of a random linear map can be successfully described for long time by the mean-value vector state. The growth rate can be characterized by an effective Perron-Frobenius eigenvalue that strongly depends on the type of correlation between the elements of the projection matrix. We apply this approach to an age-structured population dynamics model. We show that the asymptotic mean-value vector state characterizes the population growth rate when the age-structured model has random vital parameters. In this case our approach reveals the nontrivial dependence of the effective growth rate with cross correlations. The problem was reduced to the calculation of the smallest positive root of a secular polynomial, which can be obtained by perturbations in terms of Green’s function diagrammatic technique built with noncommutative cumulants for arbitrary n -point correlations.
New Developments in Spin Labels for Pulsed Dipolar EPR
Directory of Open Access Journals (Sweden)
Alistair J. Fielding
2014-10-01
Full Text Available Spin labelling is a chemical technique that enables the integration of a molecule containing an unpaired electron into another framework for study. Given the need to understand the structure, dynamics, and conformational changes of biomacromolecules, spin labelling provides a relatively non-intrusive technique and has certain advantages over X-ray crystallography; which requires high quality crystals. The technique relies on the design of binding probes that target a functional group, for example, the thiol group of a cysteine residue within a protein. The unpaired electron is typically supplied through a nitroxide radical and sterically shielded to preserve stability. Pulsed electron paramagnetic resonance (EPR techniques allow small magnetic couplings to be measured (e.g., <50 MHz providing information on single label probes or the dipolar coupling between multiple labels. In particular, distances between spin labels pairs can be derived which has led to many protein/enzymes and nucleotides being studied. Here, we summarise recent examples of spin labels used for pulse EPR that serve to illustrate the contribution of chemistry to advancing discoveries in this field.
Testing physical models for dipolar asymmetry with CMB polarization
Contreras, D.; Zibin, J. P.; Scott, D.; Banday, A. J.; Górski, K. M.
2017-12-01
The cosmic microwave background (CMB) temperature anisotropies exhibit a large-scale dipolar power asymmetry. To determine whether this is due to a real, physical modulation or is simply a large statistical fluctuation requires the measurement of new modes. Here we forecast how well CMB polarization data from Planck and future experiments will be able to confirm or constrain physical models for modulation. Fitting several such models to the Planck temperature data allows us to provide predictions for polarization asymmetry. While for some models and parameters Planck polarization will decrease error bars on the modulation amplitude by only a small percentage, we show, importantly, that cosmic-variance-limited (and in some cases even Planck) polarization data can decrease the errors by considerably better than the expectation of √{2 } based on simple ℓ-space arguments. We project that if the primordial fluctuations are truly modulated (with parameters as indicated by Planck temperature data) then Planck will be able to make a 2 σ detection of the modulation model with 20%-75% probability, increasing to 45%-99% when cosmic-variance-limited polarization is considered. We stress that these results are quite model dependent. Cosmic variance in temperature is important: combining statistically isotropic polarization with temperature data will spuriously increase the significance of the temperature signal with 30% probability for Planck.
Phase transitions in random uniaxial systems with dipolar interactions
International Nuclear Information System (INIS)
Schuster, H.G.
1977-01-01
The critical behaviour of random uniaxial ferromagnetic (ferroelectric) systems with both short range and long range dipolar interactions is investigated, using the field theoretic renormalization method of Brezin et al. for the free energy above and below transition point Tsub(c). The randomness is due to externally introduced fluctuations in the short range interactions (quenched case) or (and) magneto-elastic coupling to the lattice (annealed case). Strong deviations in the critical behaviour with respect to the pure systems are found. In the quenched case, e.g., the specific heat C and the coefficient f 2 (of M 3 in the equation of state, where M is the magnetization) change from C proportional to abs ln abs t abs abssup(1/3), f 2 proportional to abs ln abs t abs abs sup(1/3), f 2 proportional to abs ln abs t abs abs -1 in the pure system to C = A+- + C+-exp[-4√ 3 106 abs ln abs t abs abs], f 2 proportional to abs ln abs t abs abs sup(-1/2) (where t = (T-Tsub(c)) / Tsub(c) is the reduced temperature and A+-, C+- are constants) in the random situation. (orig.) [de
Focal mechanism of seismic events with a dipolar component
Directory of Open Access Journals (Sweden)
R. Console
1995-06-01
Full Text Available In this paper we model the geometry of a seismic source as a dislocation occurring on an elemental flat fault in an arbitrary direction with respect to the fault plane. This implies the use of a fourth parameter in addition to the three usual ones describing a simple double couple mechanism. We applied the radiation pattern obtained from the theory to a computer code written for the inversion of the observation data (amplitudes and polarities of the first onsets recorded by a network of stations. It allows the determination of the fault mechanism gener- alized in the above mentioned way. The computer code was verified on synthetic data and then applied to real data recorded by the seismic network operated by the Ente Nazionale per l'Energia Elettrica (ENEL, monitoring the geothermal field of Larderello. The experimental data show that for some events the source mechanism exhibits a significant dipolar component. However, due to the high standard deviation of the amplitude data, F-test applied to the results of the analysis shows that only for two events the confidence level for the general- ized model exceeds 90%.
Patil, S K; Wari, M N; Panicker, C Yohannan; Inamdar, S R
2014-04-05
The absorption and fluorescence spectra of three medium sized dipolar laser dyes: coumarin 478 (C478), coumarin 519 (C519) and coumarin 523 (C523) have been recorded and studied comprehensively in various solvents at room temperature. The absorption and fluorescence spectra of C478, C519 and C523 show a bathochromic and hypsochromic shifts with increasing solvent polarity indicate that the transitions involved are π→π(∗) and n→π(∗). Onsager radii determined from ab initio calculations were used in the determination of dipole moments. The ground and excited state dipole moments were evaluated by using solvatochromic correlations. It is observed that the dipole moment values of excited states (μe) are higher than corresponding ground state values (μg) for the solvents studied. The ground and excited state dipole moments of these probes computed from ab initio calculations and those determined experimentally are compared and the results are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.
Measurement of one-bond 15N-13C' dipolar couplings in medium sized proteins
International Nuclear Information System (INIS)
Chou, James J.; Delaglio, Frank; Bax, Ad
2000-01-01
A simple and accurate method is described for measurement of 1 J C'N splittings in isotopically enriched proteins. The method is of the quantitative J correlation type, and the 1 J C'N splitting is derived from the relative intensity in two 3D TROSY-HNCO spectra with 1 J C'N dephasing intervals of ∼1/(2 1 J C'N ) (reference intensity) and ∼1/ 1 J C'N (residual intensity). If the two spectra are recorded under identical conditions and with the same number of scans, the random error in the 1 J C'N value extracted in this manner is inversely related to the signal-to-noise (S/N) in the reference spectrum. A S/N of 30:1 in the reference spectrum yields random errors of less than 0.2 Hz in the extracted 1 J C'N value. Dipolar couplings obtained from the difference in 1 J C'N splitting in the isotropic and liquid crystalline phase for the C-terminal domain of calmodulin are in excellent agreement with its 1.68-A crystal structure, but agree considerably less with the 2.2-A structure
The neural correlates of endowment effect without economic transaction.
Votinov, Mikhail; Mima, Tatsuya; Aso, Toshihiko; Abe, Mitsunari; Sawamoto, Nobukatsu; Shinozaki, Jun; Fukuyama, Hidenao
2010-09-01
People always concern about what they have and what they might lose even it is just imaginary property. According to Prospect Theory, the losses might be weighted by subjects higher than gain, which would cause the disparity between the willingness to accept (WTA) and willingness to pay (WTP) compensation in economic valuation. Using functional MRI, we investigated neural correlates of this inconsistent value estimation, known as the endowment effect, during a simple pricing task without economic transaction. Brain activation associated with this price discrepancy was observed in the right inferior frontal gyrus (IFG), where voxel-based morphometry of MRI revealed the positive correlation between gray matter concentration and WTA/WTP ratio. These findings suggest the functional relevance of IFG in WTA/WTP discrepancy for pricing without any actual gain and loss, where an integration of loss aversion-related signals from insula and expected value signals may occur. 2010 Elsevier Ireland Ltd and the Japan Neuroscience Society. All rights reserved.
Finite-size effects on current correlation functions
Chen, Shunda; Zhang, Yong; Wang, Jiao; Zhao, Hong
2014-02-01
We study why the calculation of current correlation functions (CCFs) still suffers from finite-size effects even when the periodic boundary condition is taken. Two important one-dimensional, momentum-conserving systems are investigated as examples. Intriguingly, it is found that the state of a system recurs in the sense of microcanonical ensemble average, and such recurrence may result in oscillations in CCFs. Meanwhile, we find that the sound mode collisions induce an extra time decay in a current so that its correlation function decays faster (slower) in a smaller (larger) system. Based on these two unveiled mechanisms, a procedure for correctly evaluating the decay rate of a CCF is proposed, with which our analysis suggests that the global energy CCF decays as ˜t-2/3 in the diatomic hard-core gas model and in a manner close to ˜t-1/2 in the Fermi-Pasta-Ulam-β model.
Imbir, Kamil Konrad; Jarymowicz, Maria Teresa; Spustek, Tomasz; Kuś, Rafał; Żygierewicz, Jarosław
2015-01-01
We distinguish two evaluative systems which evoke automatic and reflective emotions. Automatic emotions are direct reactions to stimuli whereas reflective emotions are always based on verbalized (and often abstract) criteria of evaluation. We conducted an electroencephalography (EEG) study in which 25 women were required to read and respond to emotional words which engaged either the automatic or reflective system. Stimulus words were emotional (positive or negative) and neutral. We found an effect of valence on an early response with dipolar fronto-occipital topography; positive words evoked a higher amplitude response than negative words. We also found that topographically specific differences in the amplitude of the late positive complex were related to the system involved in processing. Emotional stimuli engaging the automatic system were associated with significantly higher amplitudes in the left-parietal region; the response to neutral words was similar regardless of the system engaged. A different pattern of effects was observed in the central region, neutral stimuli engaging the reflective system evoked a higher amplitudes response whereas there was no system effect for emotional stimuli. These differences could not be reduced to effects of differences between the arousing properties and concreteness of the words used as stimuli.
Energy Technology Data Exchange (ETDEWEB)
Kozioł-Rachwał, A. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); National Institute of Advanced Industrial Science and Technology, Spintronics Research Center, Tsukuba, Ibaraki 305-8568 (Japan); Skowroński, W.; Frankowski, M. [AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Chęciński, J. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Ziętek, S.; Rzeszut, P. [AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Ślęzak, M.; Matlak, K.; Ślęzak, T. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); Stobiecki, T. [AGH University of Science and Technology, Department of Electronics, al. Mickiewicza 30, 30-059 Kraków (Poland); Korecki, J. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, ul. Niezapominajek 8, 30-239 Kraków (Poland)
2017-02-15
Fe/MgO/Fe trilayers with a subnanometer MgO tunnel barrier were grown by molecular beam epitaxy. Longitudinal magnetooptic Kerr effect measurements confirmed the existence of the antiferromagnetic interlayer exchange coupling (IEC) between the Fe layers for 2 Å
Zhang, Rongchun; Ramamoorthy, Ayyalusamy
2015-05-01
Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of 1H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of 1H/1H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials.
International Nuclear Information System (INIS)
Zhang, Rongchun; Ramamoorthy, Ayyalusamy
2015-01-01
Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of 1 H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of 1 H/ 1 H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials
International Nuclear Information System (INIS)
Gierster, L.; Ünal, A.A.; Pape, L.; Radu, F.; Kronast, F.
2015-01-01
We investigate laser induced magnetic switching in a ferrimagnetic thin film of Tb_2_2Fe_6_9Co_9 by PEEM. Using a small laser beam with a spot size of 3–5 µm in diameter in combination with high resolution magnetic soft X-ray microscopy we are able to discriminate between different effects that govern the microscopic switching process, namely the influence of the laser heating, of the helicity dependent momentum transfer, and of the dipolar coupling. Applying a sequence of femtosecond laser pulses to a previously saturated TbFeCo film leads to the formation of ring shaped magnetic structures in which all three effects can be observed. Laser helicity assisted switching is only observed in a narrow region within the Gaussian profile of the laser spot. Whereas in the center of the laser spot we find clear evidence for thermal demagnetization and in the outermost areas magnetic switching is determined by dipolar coupling with the surrounding film. Our findings demonstrate that by reducing the laser spot size the influence of dipolar coupling on laser induced switching is becoming increasingly important. - Highlights: • With a new PEEM sample holder a laser spot size of 3–5 µm in diameter is reached. • Spatial resolved imaging of laser induced magnetization reversal. • A single femtosecond laser pulse leads to a multi-domain state in TbFeCo. • A pulse sequence results in a ring-shaped magnetic pattern caused by dipolar fields. • Laser helicity dependent effects appear only in a narrow fluence region.
Charge correlation effects on ionization of weak polyelectrolytes
International Nuclear Information System (INIS)
Panagiotopoulos, A Z
2009-01-01
Ionization curves of weak polyelectrolytes were obtained as a function of the charge coupling strength from Monte Carlo simulations. In contrast to many earlier studies, the present work treats counterions explicitly, thus allowing the investigation of charge correlation effects at strong couplings. For conditions representing typical weak polyelectrolytes in water near room temperature, ionization is suppressed because of interactions between nearby dissociated groups, as also seen in prior work. A novel finding here is that, for stronger couplings, relevant for non-aqueous environments in the absence of added salt, the opposite behavior is observed-ionization is enhanced relative to the behavior of the isolated groups due to ion-counterion correlation effects. The fraction of dissociated groups as a function of position along the chain also behaves non-monotonically. Dissociation is highest near the ends of the chains for aqueous polyelectrolytes and highest at the chain middle segments for non-aqueous environments. At intermediate coupling strengths, dissociable groups appear to behave in a nearly ideal fashion, even though chain dimensions still show strong expansion effects due to ionization. These findings provide physical insights on the impact of competition between acid/base chemical equilibrium and electrostatic attractions in ionizable systems.
Strong correlation effects in theoretical STM studies of magnetic adatoms
Dang, Hung T.; dos Santos Dias, Manuel; Liebsch, Ansgar; Lounis, Samir
2016-03-01
We present a theoretical study for the scanning tunneling microscopy (STM) spectra of surface-supported magnetic nanostructures, incorporating strong correlation effects. As concrete examples, we study Co and Mn adatoms on the Cu(111) surface, which are expected to represent the opposite limits of Kondo physics and local moment behavior, using a combination of density functional theory and both quantum Monte Carlo and exact diagonalization impurity solvers. We examine in detail the effects of temperature T , correlation strength U , and impurity d electron occupancy Nd on the local density of states. We also study the effective coherence energy scale, i.e., the Kondo temperature TK, which can be extracted from the STM spectra. Theoretical STM spectra are computed as a function of STM tip position relative to each adatom. Because of the multiorbital nature of the adatoms, the STM spectra are shown to consist of a complicated superposition of orbital contributions, with different orbital symmetries, self-energies, and Kondo temperatures. For a Mn adatom, which is close to half-filling, the STM spectra are featureless near the Fermi level. On the other hand, the quasiparticle peak for a Co adatom gives rise to strongly position-dependent Fano line shapes.
Electron correlation effects in XUV photoabsorption spectroscopy of atoms
International Nuclear Information System (INIS)
Codling, K.
1976-01-01
Reference is made to sophisticated experiments involving the measurement of the angular distribution of photo-ejected electrons, coincidence electrons and ion spectroscopy, which can only be interpreted in terms of electron correlation effects. After an introductory review of previous work, the lectures fall under the following headings: experimental procedures (light sources, monochromators, absorption cells, limitations on the simple photoasbsorption experiment, and complementary techniques); experimental results (discrete states in the continuum, gross features in the photoionisation continuum (rare gases, alkalis, alkaline earths, rare earths, transition elements)). (U.K.)
Response of energetic particles to local magnetic dipolarization inside geosynchronous orbit
Motoba, T.; Ohtani, S.; Gkioulidou, M.; Takahashi, K.
2017-12-01
Magnetic field dipolarization and energetic particle injections are the most distinct phenomena observed in the inner magnetosphere during the substorm expansion phase. Compared to a wealth of knowledge about the phenomenology of magnetic dipolarizations and particle injections at/outside geosynchronous orbit (GEO), our understanding of them inside GEO remains incomplete because of a very limited number of previous studies. In the present study, we statistically examine the response of 1-1000 keV energetic particles to local magnetic dipolarization by performing a superposed epoch analysis of energetic particle fluxes with the zero epoch defined as the dipolarization onset times. Based on data from the Van Allen Probes tail seasons in 2012-2016, we identified a total of 97 magnetic dipolarization events which occurred closer to the magnetic equator (i.e., BH, which is antiparallel to the Earth's dipole axis, is the dominant component of the local magnetic field at least for 5 min before the onset). For major ion species (hydrogen, helium, and oxygen ions), the relative flux intensity to the pre-onset level increases at > 50 keV and decreases at inverse energy dispersion. For dipolarizations with strong impulsive westward electric fields, the relative electron flux intensity increases up to 5-10 times, in particular most significant at several tens of keV. This result suggests that the impulsive electric field acts as an efficient factor in the rapid energization of the tens-of-keV electrons. We also discuss how the response of energetic particles to dipolarization depends on MLT, radial distance, and pitch angle.
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Rana, Malay Kumar; Chandra, Amalendu, E-mail: amalen@iitk.ac.in [Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208016 (India)
2015-01-21
Atomistic simulations of model nonpolar nanotubes in a Stockmayer liquid are carried out for varying nanotube diameter and nanotube-solvent interactions to investigate solvophobic interactions in generic dipolar solvents. We have considered model armchair type single-walled nonpolar nanotubes with increasing radii from (5,5) to (12,12). The interactions between solute and solvent molecules are modeled by the well-known Lennard-Jones and repulsive Weeks-Chandler-Andersen potentials. We have investigated the density profiles and microscopic arrangement of Stockmayer molecules, orientational profiles of their dipole vectors, time dependence of their occupation, and also the translational and rotational motion of solvent molecules in confined environments of the cylindrical nanopores and also in their external peripheral regions. The present results of structural and dynamical properties of Stockmayer molecules inside and near atomistically rough nonpolar surfaces including their wetting and dewetting behavior for varying interactions provide a more generic picture of solvophobic effects experienced by simple dipolar liquids without any specific interactions such as hydrogen bonds.
Liu, Yizhou; Cohen, Ryan D.; Martin, Gary E.; Williamson, R. Thomas
2018-06-01
Accurate measurement of residual dipolar couplings (RDCs) requires an appropriate degree of alignment in order to optimize data quality. An overly weak alignment yields very small anisotropic data that are susceptible to measurement errors, whereas an overly strong alignment introduces extensive anisotropic effects that severely degrade spectral quality. The ideal alignment amplitude also depends on the specific pulse sequence used for the coupling measurement. In this work, we introduce a practical strategy for the accurate measurement of one-bond 13C-1H RDCs up to a range of ca. -300 to +300 Hz, corresponding to an alignment that is an order of magnitude stronger than typically employed for small molecule structural elucidation. This strong alignment was generated in the mesophase of the commercially available poly-γ-(benzyl-L-glutamate) polymer. The total coupling was measured by the simple and well-studied heteronuclear two-dimensional J-resolved experiment, which performs well in the presence of strong anisotropic effects. In order to unequivocally determine the sign of the total coupling and resolve ambiguities in assigning total couplings in the CH2 group, coupling measurements were conducted at an isotropic condition plus two anisotropic conditions of different alignment amplitudes. Most RDCs could be readily extracted from these measurements whereas more complicated spectral effects resulting from strong homonuclear coupling could be interpreted either theoretically or by simulation. Importantly, measurement of these very large RDCs actually offers significantly improved data quality and utility for the structure determination of small organic molecules.
Neural correlates of the numerical distance effect in children
Directory of Open Access Journals (Sweden)
Christophe eMussolin
2013-10-01
Full Text Available In number comparison tasks, the performance is better when the distance between the two numbers to compare increases. During development this so-called numerical distance effect decreases with age and the neuroanatomical correlates of these age-related changes are poorly known. Using functional magnetic resonance imaging, we recorded the brain activity changes in children aged from 8 to 14 years while they performed a number comparison task on pairs of Arabic digits and a control colour comparison task on non-numerical symbols. On the one hand, we observed developmental changes in the recruitment of frontal regions and the left intraparietal sulcus, with lower activation as the age increased. On the other hand, we found that a behavioural index of selective sensitivity to the numerical distance effect was positively correlated with higher brain activity in a right lateralized occipito-temporo-parietal network including the intraparietal sulcus. This leads us to propose that the left intraparietal sulcus would be engaged in the refinement of cognitive processes involved in number comparison during development, while the right intraparietal sulcus would underlie the semantic representation of numbers and its activation would be mainly affected by the numerical proximity between them.
Correlation and symmetry effects in transport through an artificial molecule
Energy Technology Data Exchange (ETDEWEB)
Ramirez, F. [Posgrado en Fisica de Materiales, Centro de Investigacion Cientifica y de Educacion Superior de Ensenada, Ensenada, Baja California (Mexico); Cota, E. [Centro de Ciencias de la Materia Condensada-UNAM, Ensenada, Baja California (Mexico); Ulloa, S.E. [Department of Physics and Astronomy and Condensed Matter and Surface Sciences Program, Ohio University, Athens, Ohio 45701-2979 (United States)
1999-02-01
Spectral weights and current-voltage characteristics of an artificial diatomic molecule are calculated, considering cases where the dots connected in series are in general different. The spectral weights allow us to understand the effects of correlations, their connection with selection rules for transport, and the role of excited states in the experimental conductance spectra of these coupled double dot systems (DDS). An extended Hubbard Hamiltonian with varying interdot tunneling strength is used as a model, incorporating quantum confinement in the DDS, interdot tunneling as well as intra- and interdot Coulomb interactions. We find that interdot tunneling values determine to a great extent the resulting eigenstates and corresponding spectral weights. Details of the state correlations strongly suppress most of the possible conduction channels, giving rise to effective selection rules for conductance through the molecule. Most states are found to make insignificant contributions to the total current for finite biases. We find also that the symmetry of the structure is reflected in the I-V characteristics, and is in qualitative agreement with experiment. {copyright} {ital 1999} {ital The American Physical Society}
Understanding the anisotropic ion distributions within magnetotail dipolarizing flux bundles
Zhou, X.; Runov, A.; Angelopoulos, V.; Birn, J.
2017-12-01
Dipolarizing flux bundles (DFBs), earthward-propagating structures with enhanced northward magnetic field (Bz) component, are usually believed to carry a different plasma population from that in the ambient magnetotail plasma sheet. The ion distribution functions within the DFB, however, are recently found to be largely controlled by the ion adiabaticity parameter κ in the ambient plasma sheet outside the DFBs. According to these observations, the ambient κ values of 2-3 usually correspond to a strong perpendicular anisotropy of suprathermal ions within the DFBs, whereas for lower κ values the ions inside the DFBs become more isotropic. Here we utilize a simple, test-particle model to explore the nature of the anisotropy and its dependence on the ambient κ values. We find that the ion anisotropy originates from successive ion reflections and reentries to the DFBs, during which the ions can be consecutively accelerated in the perpendicular direction by the DFB-carried electric field. This acceleration process may be interrupted, however, when the magnetic field lines are highly curved in the ambient plasma sheet. In this case, the ion trajectories are most stochastic outside the DFB region, which makes the reflected ions less likely to return to the DFBs for another cycle of acceleration; as a consequence, the perpendicular ion anisotropy does not appear. Given that the DFB ions are a free energy source for instabilities when they are injected towards Earth, our simple model (that reproduces most observational features on the anisotropic DFB ion distributions) may shed new lights on the coupling process between the magnetotail and the inner magneosphere.
Physics of Substorm Growth Phase, Onset, and Dipolarization
Energy Technology Data Exchange (ETDEWEB)
C.Z. Cheng
2003-10-22
A new scenario of substorm growth phase, onset, and depolarization during expansion phase and the corresponding physical processes are presented. During the growth phase, as a result of enhanced plasma convection, the plasma pressure and its gradient are continued to be enhanced over the quiet-time values in the plasma sheet. Toward the late growth phase, a strong cross-tail current sheet is formed in the near-Earth plasma sheet region, where a local magnetic well is formed, the plasma beta can reach a local maximum with value larger than 50 and the cross-tail current density can be enhanced to over 10nA/m{sup 2} as obtained from 3D quasi-static magnetospheric equilibrium solutions for the growth phase. The most unstable kinetic ballooning instabilities (KBI) are expected to be located in the tailward side of the strong cross-tail current sheet region. The field lines in the most unstable KBI region map to the transition region between the region-1 and region-2 currents in the ionosphere, which is consistent with the observed initial brightening location of the breakup arc in the intense proton precipitation region. The KBI explains the AMPTE/CCE observations that a low-frequency instability with a wave period of 50-75 seconds is excited about 2-3 minutes prior to substorm onset and grows exponentially to a large amplitude at the onset of current disruption (or current reduction). At the current disruption onset higher frequency instabilities are excited so that the plasma and electromagnetic field fluctuations form a strong turbulent state. Plasma transport takes place due to the strong turbulence to relax the ambient plasma pressure profile so that the plasma pressure and current density are reduced and the ambient magnetic field intensity increases by more than a factor of 2 in the high-beta(sub)eq region and the field line geometry recovers from tail-like to dipole-like dipolarization.
Physics of Substorm Growth Phase, Onset, and Dipolarization
International Nuclear Information System (INIS)
Cheng, C.Z.
2003-01-01
A new scenario of substorm growth phase, onset, and depolarization during expansion phase and the corresponding physical processes are presented. During the growth phase, as a result of enhanced plasma convection, the plasma pressure and its gradient are continued to be enhanced over the quiet-time values in the plasma sheet. Toward the late growth phase, a strong cross-tail current sheet is formed in the near-Earth plasma sheet region, where a local magnetic well is formed, the plasma beta can reach a local maximum with value larger than 50 and the cross-tail current density can be enhanced to over 10nA/m 2 as obtained from 3D quasi-static magnetospheric equilibrium solutions for the growth phase. The most unstable kinetic ballooning instabilities (KBI) are expected to be located in the tailward side of the strong cross-tail current sheet region. The field lines in the most unstable KBI region map to the transition region between the region-1 and region-2 currents in the ionosphere, which is consistent with the observed initial brightening location of the breakup arc in the intense proton precipitation region. The KBI explains the AMPTE/CCE observations that a low-frequency instability with a wave period of 50-75 seconds is excited about 2-3 minutes prior to substorm onset and grows exponentially to a large amplitude at the onset of current disruption (or current reduction). At the current disruption onset higher frequency instabilities are excited so that the plasma and electromagnetic field fluctuations form a strong turbulent state. Plasma transport takes place due to the strong turbulence to relax the ambient plasma pressure profile so that the plasma pressure and current density are reduced and the ambient magnetic field intensity increases by more than a factor of 2 in the high-beta(sub)eq region and the field line geometry recovers from tail-like to dipole-like dipolarization
Electron correlation effects on the N2--N2 interaction
International Nuclear Information System (INIS)
Hay, P.J.; Pack, R.T.; Martin, R.L.
1984-01-01
Ab initio self-consistent field, configuration interaction, and many-body perturbation theory methods are used to calculate the intermolecular potential between two nitrogen molecules. The emphasis is placed on the repulsive region important at the temperatures and pressures encountered in detonations. In addition, electron gas calculations are employed to fit and extend the ab initio data. We also generate effective spherical potentials which fit dilute gas virial, viscosity, and differential scattering data while being constrained by Hugoniot or ab initio data in the repulsive region. Finally, we discuss the roles of electron correlation and of many-body effects on the N 2 --N 2 interaction. Comparisons are also made to the Ar 2 potential where similar ab initio calculations are compared to an accurate empirical potential
Emergent Gauge Fields and Their Nonperturbative Effects in Correlated Electrons
Kim, Ki-Seok; Tanaka, Akihiro
The history of modern condensed matter physics may be regarded as the competition and reconciliation between Stoner's and Anderson's physical pictures, where the former is based on momentum-space descriptions focusing on long wave-length fluctuations while the latter is based on real-space physics emphasizing emergent localized excitations. In particular, these two view points compete with each other in various nonperturbative phenomena, which range from the problem of high Tc superconductivity, quantum spin liquids in organic materials and frustrated spin systems, heavy-fermion quantum criticality, metal-insulator transitions in correlated electron systems such as doped silicons and two-dimensional electron systems, the fractional quantum Hall effect, to the recently discussed Fe-based superconductors. An approach to reconcile these competing frameworks is to introduce topologically nontrivial excitations into the Stoner's description, which appear to be localized in either space or time and sometimes both, where scattering between itinerant electrons and topological excitations such as skyrmions, vortices, various forms of instantons, emergent magnetic monopoles, and etc. may catch nonperturbative local physics beyond the Stoner's paradigm. In this review article we discuss nonperturbative effects of topological excitations on dynamics of correlated electrons. First, we focus on the problem of scattering between itinerant fermions and topological excitations in antiferromagnetic doped Mott insulators, expected to be relevant for the pseudogap phase of high Tc cuprates. We propose that nonperturbative effects of topological excitations can be incorporated within the perturbative framework, where an enhanced global symmetry with a topological term plays an essential role. In the second part, we go on to discuss the subject of symmetry protected topological states in a largely similar light. While we do not introduce itinerant fermions here, the nonperturbative
International Nuclear Information System (INIS)
Montalvao, Rinaldo W.; De Simone, Alfonso; Vendruscolo, Michele
2012-01-01
Residual dipolar couplings (RDCs) have the potential of providing detailed information about the conformational fluctuations of proteins. It is very challenging, however, to extract such information because of the complex relationship between RDCs and protein structures. A promising approach to decode this relationship involves structure-based calculations of the alignment tensors of protein conformations. By implementing this strategy to generate structural restraints in molecular dynamics simulations we show that it is possible to extract effectively the information provided by RDCs about the conformational fluctuations in the native states of proteins. The approach that we present can be used in a wide range of alignment media, including Pf1, charged bicelles and gels. The accuracy of the method is demonstrated by the analysis of the Q factors for RDCs not used as restraints in the calculations, which are significantly lower than those corresponding to existing high-resolution structures and structural ensembles, hence showing that we capture effectively the contributions to RDCs from conformational fluctuations.
Directory of Open Access Journals (Sweden)
Lars Jäger
2016-09-01
Full Text Available Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl-N-phenylamino]-biphenyl (NPB with the polar electron transporting material tris-(8-hydroxyquinolate aluminum (Alq3. Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.
Jäger, Lars; Schmidt, Tobias D.; Brütting, Wolfgang
2016-09-01
Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl)-N-phenylamino]-biphenyl (NPB) with the polar electron transporting material tris-(8-hydroxyquinolate) aluminum (Alq3). Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.
Dipolar-Biased Tunneling of Magnetization in Crystals of Single Molecule Magnets
Awaga, Kunio
2007-03-01
The molecular cluster Mn12 has attracted much interest as a single-molecule magnet (SMM) and as a multi-redox system. It has a high-spin ground state of S=10 and a strong uniaxial magnetic anisotropy, and the combination of the two natures makes an effective potential barrier between the up and down spin states. At low temperatures, the magnetization curve exhibited a hysteresis loop and the quantum tunneling of magnetization (QTM). In the present work, we studied the structure and magnetic properties of the mixed-metal SMM, Mn11Cr, through the analysis of Mn11Cr/Mn12 mixed crystal. High-frequency EPR spectra were well explained by assuming that Mn11Cr was in a ground spin-state of S=19/2 with nearly the same EPR parameter set as for Mn12. QTM in Mn11Cr was observed with the same field interval as for Mn12. The magnetization of Mn11Cr and Mn12 in the mixed crystal can be independently manipulated by utilizing the difference between their coercive fields. The resonance fields of QTM in Mn11Cr are significantly affected by the magnetization direction of Mn12, suggesting the effect of dipolar-biased tunneling. Besides SMM, we would also like to report the unusual magnetic properties of spherical hollow nanomagnets, the electrical properties of heterocyclic thiazyl radicals, and their possible applications in spintronics and organic electronics.
Correlations for developing film boiling effect in tubes
International Nuclear Information System (INIS)
Guo, Y.; Leung, L.K.H.
2005-01-01
Full text of publication follows: Reducing uncertainties in predicting film-boiling heat transfer can provide improved margins in reactor safety analysis, hence improved operating margins in nuclear power plants. Most reactor safety codes employed the tube-based prediction method for the fully developed film-boiling heat transfer coefficient. This approach tends to underpredict the heat-transfer coefficient and over-predict the sheath temperature at post-dryout conditions close to the CHF point. The under-prediction is due mainly to the droplet impingement on the heated surface and vapour superheating. This heat-transfer regime is referred to as the developing film boiling, which is associated with an enhancement in heat transfer compared to the fully developed film boiling. An improvement in the prediction accuracy is achievable by accounting for the effect of vapour-film development on film boiling heat transfer. In addition to system safety analyses, the prediction of developing film boiling heat transfer is required in subchannel analyses for fuel bundles. A tube-data-based prediction method is particularly relevant for subchannel applications. The objective of this study is to derive a correlation for the developing film boiling effect in tubes. The current CANDU R . system safety and subchannel analyses codes apply the look-up table approach to predict the film boiling heat transfer. The post-dryout look-up table provides the fully developed film boiling heat transfer in an 8-mm vertical tube, and has been extended to other tube sizes using a diameter modification factor. In this study, a modification factor has been developed to account for the developing film-boiling effect, and is expressed in the following non-dimensional form: K = (h FB - h FD )/(h NB - h FD ) = f ((T W - T sat )/T CHF - T sat )) where h FB is the film boiling heat transfer coefficient, h FD is the fully developed film-boiling heat transfer coefficient, which is evaluated using the film
Schwarz, G; Savko, P
1982-01-01
Dielectric constant and loss of the membrane-active peptide alamethicin in octanol/dioxane mixtures have been measured at frequencies between 5 kHz and 50 MHz. On the basis of a rotational mechanism of dipolar orientation, the observed dispersion provides information regarding size, shape, and dipole moment of the structural entities which the solute may assume in media of diverse lipophilicity. Particularly detailed results are obtained in a pure octanol solvent where an apparent molecular weight of alamethicin could be determined. It turns out that in this quite lipophilic medium most of the peptide material exists as a monomer particle that has approximate length and diameter of 35 and 13 A, respectively. It carries a dipole moment of approximately 75 Debye units (directed nearly parallel to the long axis). At our concentrations of a few milligrams per milliliters, appreciable formation of dimers by head-to-tail linkage is indicated. When the octanol content is reduced by adding greater amounts of dioxane, larger particles are encountered. This is accompanied by a decrease of the effective polarity. The inherent increase of hydrophilicity in the dioxane-enriched solvent apparently favors another monomer conformation that has a low dipole moment and easily aggregates to some kind of micelle. PMID:7115881
Role of lower hybrid waves in ion heating at dipolarization fronts
Greco, A.; Artemyev, A.; Zimbardo, G.; Angelopoulos, V.; Runov, A.
2017-05-01
One of the important sources of hot ions in the magnetotail is the bursty bulk flows propagating away from the reconnection region and heating the ambient plasma. Charged particles interact with nonlinear magnetic field pulses (dipolarization fronts, DFs) embedded into these flows. The convection electric fields associated with DF propagation are known to reflect and accelerate ambient ions. Moreover, a wide range of waves is observed within/near these fronts, the electric field fluctuations being dominated by the lower hybrid drift (LHD) instability. Here we investigate the potential role of these waves in the further acceleration of ambient ions. We use a LHD wave emission profile superimposed on the leading edge of a two-dimensional model profile of a DF and a test particle approach. We show that LHD waves with realistic amplitudes can significantly increase the upper limit of energies gained by ions. Wave-particle interaction near the front is more effective in producing superthermal ions than in increasing the flux of thermal ions. Comparison of test particle simulations and Time History of Events and Macroscale Interactions during Substorms observations show that ion acceleration by LHD waves is more important for slower DFs.
Tunnel-induced Dipolar Resonances in a Double-well Potential.
Schulz, Bruno; Saenz, Alejandro
2016-11-18
A system of two dipolar particles that are confined in a double-well potential and interact via a realistic isotropic interaction potential is investigated as a protoype for ultracold atoms with a magnetic dipole moment or ultracold dipolar heteronuclear diatomic molecules in double-well traps or in optical lattices. The resulting energy spectrum is discussed as a function of the dipole-dipole interaction strength. The variation of the strength of the dipole-dipole interaction is found to lead to various resonance phenomena. Among those are the previously discussed inelastic confinement-induced resonances as well as the dipole-induced resonances. It is found that the double-well potential gives rise to a new type of resonances, tunnel-induced dipolar ones. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
The structure of ions and zwitterionic lipids regulates the charge of dipolar membranes.
Szekely, Or; Steiner, Ariel; Szekely, Pablo; Amit, Einav; Asor, Roi; Tamburu, Carmen; Raviv, Uri
2011-06-21
In pure water, zwitterionic lipids form lamellar phases with an equilibrium water gap on the order of 2 to 3 nm as a result of the dominating van der Waals attraction between dipolar bilayers. Monovalent ions can swell those neutral lamellae by a small amount. Divalent ions can adsorb onto dipolar membranes and charge them. Using solution X-ray scattering, we studied how the structure of ions and zwitterionic lipids regulates the charge of dipolar membranes. We found that unlike monovalent ions that weakly interact with all of the examined dipolar membranes, divalent and trivalent ions adsorb onto membranes containing lipids with saturated tails, with an association constant on the order of ∼10 M(-1). One double bond in the lipid tail is sufficient to prevent divalent ion adsorption. We suggest that this behavior is due to the relatively loose packing of lipids with unsaturated tails that increases the area per lipid headgroup, enabling their free rotation. Divalent ion adsorption links two lipids and limits their free rotation. The ion-dipole interaction gained by the adsorption of the ions onto unsaturated membranes is insufficient to compensate for the loss of headgroup free-rotational entropy. The ion-dipole interaction is stronger for cations with a higher valence. Nevertheless, polyamines behave as monovalent ions near dipolar interfaces in the sense that they interact weakly with the membrane surface, whereas in the bulk their behavior is similar to that of multivalent cations. Advanced data analysis and comparison with theory provide insight into the structure and interactions between ion-induced regulated charged interfaces. This study models biologically relevant interactions between cell membranes and various ions and the manner in which the lipid structure governs those interactions. The ability to monitor these interactions creates a tool for probing systems that are more complex and forms the basis for controlling the interactions between dipolar
Park, Dowoo; Jeong, Seung Doo; Ishida, Masatoshi; Lee, Chang-Hee
2014-08-25
Several regioselectively π-extended, pyrrole fused porphyrinoids have been synthesized by the 1,3-dipolar cycloaddition of meso-alkylidene-(benzi)porphyrins. Pd(II) complexes gave oxidation resistant, bis-pyrrole fused adducts. The repeated 1,3-dipolar cycloaddition followed by oxidation-reduction of pentaphyrin analogs afforded π-extended porphyrin analogs.
1,3-Dipolar Cycloadditions of Diazo Compounds in the Presence of Azides.
Aronoff, Matthew R; Gold, Brian; Raines, Ronald T
2016-04-01
The diazo group has untapped utility in chemical biology. The tolerance of stabilized diazo groups to cellular metabolism is comparable to that of azido groups. However, chemoselectivity has been elusive, as both groups undergo 1,3-dipolar cycloadditions with strained alkynes. Removing strain and tuning dipolarophile electronics yields diazo group selective 1,3-dipolar cycloadditions that can be performed in the presence of an azido group. For example, diazoacetamide but not its azido congener react with dehydroalanine residues, as in the natural product nisin.
Simulation of transverse beam splitting using time-dependent dipolar or quadrupolar kicks
Capoani, Federico
2017-01-01
Two simple systems with high relevance for accelerator physics have been studied in detail in the context of this Summer Student Project. These systems describe the motion under the influence of detuning with amplitude due to non-linear magnets and an external, time-dependent force of dipolar or quadrupolar nature.Two simple systems with high relevance for accelerator physics have been studied in detail in the context of this Summer Student Project. These systems describe the motion under the influence of detuning with amplitude due to non-linear magnets and an external, time-dependent force of dipolar or quadrupolar nature.
Energy Technology Data Exchange (ETDEWEB)
Wang Hong; Eberstadt, Matthias; Olejniczak, Edward T.; Meadows, Robert P.; Fesik, Stephen W. [Abbott Laboratories (United States)
1998-10-15
A mixture of dilauroyl phosphatidylcholine (DLPC) and 3-(cholamidopropyl)dimethylammonio-2-hydroxyl-1-propane sulfonate (CHAPSO) in water forms disc shaped bicelles that become ordered at high magnetic fields over a wide range of temperatures. As illustrated for the FK506 binding protein (FKBP), large residual dipolar couplings can be measured for proteins dissolved in low concentrations (5% w/v) of a DLPC/CHAPSO medium at a molar ratio of 4.2:1. This system is especially useful for measuring residual dipolar couplings for molecules that are only stable at low temperatures.
An initial boundary value problem for modeling a piezoelectric dipolar body
Marin, Marin; Öchsner, Andreas
2018-03-01
This study deals with the first initial boundary value problem in elasticity of piezoelectric dipolar bodies. We consider the most general case of an anisotropic and inhomogeneous elastic body having a dipolar structure. For two different types of restrictions imposed on the problem data, we prove two results regarding the uniqueness of solution, by using a different but accessible method. Then, the mixed problem is transformed in a temporally evolutionary equation on a Hilbert space, conveniently constructed based on the problem data. With the help of a known result from the theory of semigroups of operators, the existence and uniqueness of the weak solution for this equation are proved.
Dipolar Quinoidal Acene Analogues as Stable Isoelectronic Structures of Pentacene and Nonacene
Shi, Xueliang
2015-10-08
Quinoidal thia-acene analogues, as the respective isoelectronic structures of pentacene and nonacene, were synthesized and an unusual 1,2-sulfur migration was observed during the Friedel-Crafts alkylation reaction. The analogues display a closed-shell quinoidal structure in the ground state with a distinctive dipolar character. In contrast to their acene isoelectronic structures, both compounds are stable because of the existence of more aromatic sextet rings, a dipolar character, and kinetic blocking. They exhibit unique packing in single crystals resulting from balanced dipole-dipole and [C-H⋯π]/[C-H⋯S] interactions.
Ground-state candidate for the classical dipolar kagome Ising antiferromagnet
Chioar, I. A.; Rougemaille, N.; Canals, B.
2016-06-01
We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.
Point defects and diffusion in alloys: correlation effects
International Nuclear Information System (INIS)
Barbe, Vincent
2006-01-01
Kinetic models in alloys aim at predicting the transport properties of a system starting from the microscopic jump frequencies of defects. Such properties are of prior importance in systems which stay out of equilibrium for a long time, as for example irradiated alloys in nuclear reactors. We hereby propose several developments of the recent self-consistent mean field (SCMF) kinetic theory, which deals particularly with the correlation effects due to the coupling of atomic and defect fluxes. They are taken into account through a non-equilibrium distribution function of the system, which is derived from the time evolution of small clusters (of two or more atoms or defects). We therefore introduce a set of 'dynamic' interactions called effective Hamiltonian. The SCMF theory is extended to treat high jump frequency ratios for the vacancy mechanism, as well as the transport through interstitial defects. We use in both cases an atomic model which accounts for the thermodynamic properties of the alloy, as e.g. the short-range order. Those models are eventually applied to predict the diffusion properties in two model alloys of nuclear interest: the concentrated Fe-Ni-Cr solid solution and the dilute Fe(P) alloy. We present adapted atomic models and compare our predictions to experimental data. (author)
Cα chemical shift tensors in helical peptides by dipolar-modulated chemical shift recoupling NMR
International Nuclear Information System (INIS)
Yao Xiaolan; Yamaguchi, Satoru; Hong Mei
2002-01-01
The Cα chemical shift tensors of proteins contain information on the backbone conformation. We have determined the magnitude and orientation of the Cα chemical shift tensors of two peptides with α-helical torsion angles: the Ala residue in G*AL (φ=-65.7 deg., ψ=-40 deg.), and the Val residue in GG*V (φ=-81.5 deg., ψ=-50.7 deg.). The magnitude of the tensors was determined from quasi-static powder patterns recoupled under magic-angle spinning, while the orientation of the tensors was extracted from Cα-Hα and Cα-N dipolar modulated powder patterns. The helical Ala Cα chemical shift tensor has a span of 36 ppm and an asymmetry parameter of 0.89. Its σ 11 axis is 116 deg. ± 5 deg. from the Cα-Hα bond while the σ 22 axis is 40 deg. ± 5 deg. from the Cα-N bond. The Val tensor has an anisotropic span of 25 ppm and an asymmetry parameter of 0.33, both much smaller than the values for β-sheet Val found recently (Yao and Hong, 2002). The Val σ 33 axis is tilted by 115 deg. ± 5 deg. from the Cα-Hα bond and 98 deg. ± 5 deg. from the Cα-N bond. These represent the first completely experimentally determined Cα chemical shift tensors of helical peptides. Using an icosahedral representation, we compared the experimental chemical shift tensors with quantum chemical calculations and found overall good agreement. These solid-state chemical shift tensors confirm the observation from cross-correlated relaxation experiments that the projection of the Cα chemical shift tensor onto the Cα-Hα bond is much smaller in α-helices than in β-sheets
Pion correlations and resonance effects in pbarp annihilation at rest
International Nuclear Information System (INIS)
Weber, Peter
1999-01-01
We study ππ correlations in the exclusive reactions pbarp → 2π + 2π - and pbarp → 2π + 2π - π 0 at rest with complete reconstruction of the kinematics for each event. A new analysis technique has been developed which is model independent. With this new technique, which relies on double-differential distributions, no reference sample is needed to extract the correlation signal. The correlations are studied as a function of the four-pion invariant mass
Correlations in double parton distributions. Effects of evolution
International Nuclear Information System (INIS)
Diehl, Markus; Keane, Shane; Kasemets, Tomas; Vrije Univ., Amsterdam
2014-01-01
We numerically investigate the impact of scale evolution on double parton distributions, which are needed to compute multiple hard scattering processes. Assuming correlations between longitudinal and transverse variables or between the parton spins to be present at a low scale, we study how they are affected by evolution to higher scales, i.e. by repeated parton emission. We find that generically evolution tends to wash out correlations, but with a speed that may be slow or fast depending on kinematics and on the type of correlation. Nontrivial parton correlations may hence persist in double parton distributions at the high scales relevant for hard scattering processes.
Interaction effects on dynamic correlations in noncondensed Bose gases
Bezett, A.; Van Driel, H. J.; Mink, M. P.; Stoof, H. T C; Duine, R. A.
2014-01-01
We consider dynamic, i.e., frequency-dependent, correlations in noncondensed ultracold atomic Bose gases. In particular, we consider the single-particle correlation function and its power spectrum. We compute this power spectrum for a one-component Bose gas, and we show how it depends on the
Time evolution of quenched state and correlation to glassy effects
International Nuclear Information System (INIS)
Kilic, K.; Kilic, A.; Altinkok, A.; Yetis, H.; Cetin, O.; Durust, Y.
2005-01-01
In this work, dynamic changes generated by the driving current were studied in superconducting bulk polycrystalline YBCO sample via transport relaxation measurements (V-t curves). The evolution of nonlinear V-t curves was interpreted in terms of the formation of resistive and nonresistive flow channels and the spatial reorganization of the transport current in a multiply connected network of weak-link structure. The dynamic re-organization of driving current could cause an enhancement or suppression in the superconducting order parameter due to the magnitude of the driving current and coupling strength of weak-link structure along with the chemical and anisotropic states of the sample as the time proceeds. A nonzero voltage decaying with time, correlated to the quenched state, was recorded when the magnitude of initial driving current is reduced to a finite value. It was found that, after sufficiently long waiting time, the evolution of the quenched state could result in a superconducting state, depending on the magnitude of the driving current and temperature. We showed that the decays in voltage over time are consistent with an exponential time dependence which is related to the glassy state. Further, the effect of doping of organic material Bis dimethyl-glyoximato Copper (II) to YBCO could be monitored apparently via the comparison of the V-t curves corresponding to doped and undoped YBCO samples
Topological properties and correlation effects in oxide heterostructures
Okamoto, Satoshi
2015-03-01
Transition-metal oxides (TMOs) have long been one of the main subjects of material science because of their novel functionalities such as high-Tc superconductivity in cuprates and the colossal magnetoresistance effect in manganites. In recent years, we have seen tremendous developments in thin film growth techniques with the atomic precision, resulting in the discovery of a variety of electronic states in TMO heterostructures. These developments motivate us to explore the possibility of novel quantum states of matter such as topological insulators (TIs) in TMO heterostructures. In this talk, I will present our systematic theoretical study on unprecedented electronic states in TMO heterostructures. An extremely simple but crucial observation is that, when grown along the [111] crystallographic axis, bilayers of perovskite TMOs form buckled honeycomb lattices of transition-metal ions, similar to graphene. Thus, with the relativistic spin-orbit coupling and proper band filling, two-dimensional TI states or spin Hall insulators are anticipated. Based on tight-binding modeling and density-functional theory calculations, possible candidate materials for TIs are identified. By means of the dynamical-mean-field theory and a slave-boson mean field theory, correlation effects, characteristics of TMOs, are also examined. I will further discuss future prospects in topological phenomena in TMO heterostructures and related systems. The author thanks D. Xiao, W. Zhu, Y. Ran, R. Arita, Y. Nomura and N. Nagaosa for their fruitful discussions and collaboration. This work is supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.
International Nuclear Information System (INIS)
Barbieri, Renato; Bertini, Ivano; Lee, Yong-Min; Luchinat, Claudio; Velders, Aldrik H.
2002-01-01
Lanthanide-substituted calcium binding proteins are known to partially orient in high magnetic fields. Orientation provides residual dipolar couplings (rdc's). Two of these systems, Tm 3+ - and Dy 3+ -substituted calbindin D 9k , dissolved in an external orienting medium (nonionic liquid crystalline phase) provide rdc values which are the sum of those induced by the lanthanides and by the liquid crystalline phase on the native calcium binding protein. This structure-independent check shows the innocence of the orienting medium with respect to the structure of the protein in solution. Furthermore, the simultaneous use of lanthanide substitution and external orienting media provides a further effective tool to control and tune the orientation tensor
Zhang, Kecong; Song, Jiancheng; Wang, Min; Fang, Changshui; Lu, Mengkai
1987-04-01
TGS crystals doped with aniline-family dipolar molecules (aniline, 2-aminobenzoic acid, 3-aminobenzoic acid, 3-aminobenzene-sulphonic acid, 4-aminobenzenesulphonic acid and 4-nitroraniline) have been grown by the slow-cooling solution method. The influence of these dopants on the growth habits, crystal morphology pyroelectric properties, and structure parameters of TGS crystals has been systematically investigated. The effects of the domain structure of the seed crystal on the pyroelectric properties of the doped crystals have been studied. It is found that the spontaneous polarization (P), pyroelectric coefficient (lambda), and internal bias field of the doped crystals are slightly higher than those of the pure TGS, and the larger the dipole moment of the dopant molecule, the higher the P and lambda of the doped TGS crystal.
Wave Vector Dependent Susceptibility at T>Tc in a Dipolar Ising Ferromagnet
DEFF Research Database (Denmark)
Als-Nielsen, Jens Aage; Holmes, L. M:; Guggenheim, H. J.
1974-01-01
The wave-vector-dependent susceptibility of LiTbF4 has been investigated by means of neutron scattering. The observations show a singularity of the susceptibility near wave vector Q=0 which is characteristic of the dipolar Coulomb interaction and good agreement with theory is obtained...
A kinetic study of 1,3-dipolar cycloadditions in micellar media
Rispens, T; Engberts, JBFN
2003-01-01
The kinetics of the 1,3-dipolar cycloadditions (DC) of benzonitrile oxide with a series of N-substituted maleimides in micellar media have been investigated. Surfactants studied include anionic sodium dodecyl sulfate, cationic cetyltrimethylammonium bromide, and a series of nonionic alkyl
Electron dynamics during substorm dipolarization in Mercury's magnetosphere
Directory of Open Access Journals (Sweden)
D. C. Delcourt
2005-11-01
Full Text Available We examine the nonlinear dynamics of electrons during the expansion phase of substorms at Mercury using test particle simulations. A simple model of magnetic field line dipolarization is designed by rescaling a magnetic field model of the Earth's magnetosphere. The results of the simulations demonstrate that electrons may be subjected to significant energization on the time scale (several seconds of the magnetic field reconfiguration. In a similar manner to ions in the near-Earth's magnetosphere, it is shown that low-energy (up to several tens of eV electrons may not conserve the second adiabatic invariant during dipolarization, which leads to clusters of bouncing particles in the innermost magnetotail. On the other hand, it is found that, because of the stretching of the magnetic field lines, high-energy electrons (several keVs and above do not behave adiabatically and possibly experience meandering (Speiser-type motion around the midplane. We show that dipolarization of the magnetic field lines may be responsible for significant, though transient, (a few seconds precipitation of energetic (several keVs electrons onto the planet's surface. Prominent injections of energetic trapped electrons toward the planet are also obtained as a result of dipolarization. These injections, however, do not exhibit short-lived temporal modulations, as observed by Mariner-10, which thus appear to follow from a different mechanism than a simple convection surge.
On the Gross–Pitaevskii equation for trapped dipolar quantum gases
Carles, Ré mi; Markowich, Peter A; Sparber, Christof
2008-01-01
We study the time-dependent Gross-Pitaevskii equation describing Bose-Einstein condensation of trapped dipolar quantum gases. Existence and uniqueness as well as the possible blow-up of solutions are studied. Moreover, we discuss the problem of dimension reduction for this nonlinear and nonlocal Schrödinger equation. © 2008 IOP Publishing Ltd and London Mathematical Society.
Exploring strain-promoted 1,3-dipolar cycloadditions of end functionalized polymers
Ledin, Petr A; Kolishetti, Nagesh; Hudlikar, Manish S; Boons, Geert-Jan
2014-01-01
Strain-promoted 1,3-dipolar cycloaddition of cyclooctynes with 1,3-dipoles such as azides, nitrones, and nitrile oxides, are of interest for the functionalization of polymers. In this study, we have explored the use of a 4-dibenzocyclooctynol (DIBO)-containing chain transfer agent in reversible
Residual dipolar couplings : a new technique for structure determination of proteins in solution
van Lune, Frouktje Sapke
2004-01-01
The aim of the work described in this thesis was to investigate how residual dipolar couplings can be used to resolve or refine the three-dimensional structure of one of the proteins of the phosphoenol-pyruvate phosphotransferase system (PTS), the main transport system for carbohydrates in
Czech Academy of Sciences Publication Activity Database
Kobr, L.; Zhao, K.; Shen, K.; Comotti, A.; Bracco, S.; Shoemaker, R. K.; Sozzani, P.; Clark, N.A.; Price, J. C.; Rogers, C. T.; Michl, Josef
2012-01-01
Roč. 134, č. 24 (2012), s. 10122-10131 ISSN 0002-7863 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional research plan: CEZ:AV0Z40550506 Keywords : controlled rotary motion * solid-state dynamics * aromatic nanochannels * NMR-spectroscopy * single-molecule Subject RIV: CC - Organic Chemistry Impact factor: 10.677, year: 2012
Inclusion Compound Based Approach to Arrays of Artificial Dipolar Molecular Rotors: Bulk Inclusions
Czech Academy of Sciences Publication Activity Database
Kobr, L.; Zhao, K.; Shen, Y.; Polívková, Kateřina; Shoemaker, R. K.; Clark, N.A.; Price, J. C.; Rogers, C. T.; Michl, Josef
2013-01-01
Roč. 78, č. 5 (2013), s. 1768-1777 ISSN 0022-3263 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : solid-state dynamics * phosphonitrilic compounds * aromatic nanochannels * triethylamine Subject RIV: CC - Organic Chemistry Impact factor: 4.638, year: 2013
Czech Academy of Sciences Publication Activity Database
Kobr, L.; Zhao, K.; Shen, Y.; Shoemaker, R. K.; Rogers, C. T.; Michl, Josef
2014-01-01
Roč. 14, č. 2 (2014), s. 559-568 ISSN 1528-7483 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : aromatic nanochannels * single-molecule * dynamics Subject RIV: CC - Organic Chemistry Impact factor: 4.891, year: 2014
Numerical simulation of trapped dipolar quantum gases: Collapse studies and vortex dynamics
Sparber, Christof; Markowich, Peter; Huang, Zhongyi
2010-01-01
We numerically study the three dimensional Gross-Pitaevskii equation for dipolar quantum gases using a time-splitting algorithm. We are mainly concerned with numerical investigations of the possible blow-up of solutions, i.e. collapse of the condensate, and the dynamics of vortices. © American Institute of Mathematical Sciences.
On the Gross–Pitaevskii equation for trapped dipolar quantum gases
Carles, Rémi
2008-09-29
We study the time-dependent Gross-Pitaevskii equation describing Bose-Einstein condensation of trapped dipolar quantum gases. Existence and uniqueness as well as the possible blow-up of solutions are studied. Moreover, we discuss the problem of dimension reduction for this nonlinear and nonlocal Schrödinger equation. © 2008 IOP Publishing Ltd and London Mathematical Society.
Anisotropic relaxation dynamics in a dipolar Fermi gas driven out of equilibrium
DEFF Research Database (Denmark)
Aikawa, K.; Frisch, A.; Mark, M.
2014-01-01
We report on the observation of a large anisotropy in the rethermalization dynamics of an ultracold dipolar Fermi gas driven out of equilibrium. Our system consists of an ultracold sample of strongly magnetic $^{167}$Er fermions, spin-polarized in the lowest Zeeman sublevel. In this system, elastic...
Simulating three dimensional self-assembly of shape modified particles using magnetic dipolar forces
Alink, Laurens; Marsman, G.H. (Mathijs); Woldering, L.A.; Abelmann, Leon
2011-01-01
The feasibility of 3D self-assembly of milli-magnetic particles that interact via magnetic dipolar forces is investigated. Typically magnetic particles, such as isotropic spheres, self-organize in stable 2D configurations. By modifying the shape of the particles, 3D self-assembly may be enabled. The
Cross-correlation interference effects in multiaccess optical communications
Peterson, G. D.; Gardner, C. S.
1981-03-01
An analysis is presented of the cross correlation between user codes in an optical code-division multiple-access communication system. The system model is a multiaccess satellite repeater, where the uplink and downlink channels are direct-detection optical-polarization modulation links. The error probability is obtained in terms of the cross correlation between the intended and interfering user codes. It is demonstrated that the system error rate can be minimized by the use of code sequences in which the normalized second moment of the cross correlation between codes is small.
The Plasma Sheet as Natural Symmetry Plane for Dipolarization Fronts in the Earth's Magnetotail
Frühauff, D.; Glassmeier, K.-H.
2017-11-01
In this work, observations of multispacecraft mission Time History of Events and Macroscale Interactions during Substorms are used for statistical investigation of dipolarization fronts in the near-Earth plasma sheet of the magnetotail. Using very stringent criteria, 460 events are detected in almost 10 years of mission data. Minimum variance analysis is used to determine the normal directions of the phase fronts, providing evidence for the existence of a natural symmetry of these phenomena, given by the neutral sheet of the magnetotail. This finding enables the definition of a local coordinate system based on the Tsyganenko model, reflecting the intrinsic orientation of the neutral sheet and, therefore, the dipolarization fronts. In this way, the comparison of events with very different background conditions is improved. Through this study, the statistical results of Liu, Angelopoulos, Runov, et al. (2013) are both confirmed and extended. In a case study, the knowledge of this plane of symmetry helps to explain the concave curvature of dipolarization fronts in the XZ plane through phase propagation speeds of magnetoacoustic waves. A second case study is presented to determine the central current system of a passing dipolarization front through a constellation of three spacecraft. With this information, a statistical analysis of spacecraft observations above and below the neutral sheet is used to provide further evidence for the neutral sheet as the symmetry plane and the central current system. Furthermore, it is shown that the signatures of dipolarization fronts are under certain conditions closely related to that of flux ropes, indicating a possible relationship between these two transient phenomena.
2010-04-01
... 21 Food and Drugs 5 2010-04-01 2010-04-01 false Correlation of bioavailability with an acute pharmacological effect or clinical evidence. 320.28 Section 320.28 Food and Drugs FOOD AND DRUG ADMINISTRATION... Correlation of bioavailability with an acute pharmacological effect or clinical evidence. Correlation of in...
On the effect of correlated measurements on the performance of distributed estimation
Ahmed, Mohammed; Al-Naffouri, Tareq Y.; Alouini, Mohamed-Slim
2013-01-01
other as well. The correlation coefficient between two observations is exponentially decaying with the distance separation. The effect of the distance-based correlation on the estimation quality is demonstrated and compared with the case of unity
Coulomb correlation effects in YBaCuO system
International Nuclear Information System (INIS)
Costa-quintana, J.; Lopez-Aguilar, F.; Munoz, J.S.; Sanchez, A.; Balle, S.
1989-01-01
In this work, the authors apply a mean field potential deduced from the multiband Hubbard Hamiltonian in order to obtain the lower and upper strongly correlated bands. They have obtained the total and partial density of states for U d = O and U d = 4 eV. The results show that the density of states calculated with U d = 4 eV at E F is lesser than that obtained with U d = 0. A small peak above E F arising from the strong correlated bands appears in the dDOS calculated with U d = 4 eV and this is in agreement with the experimental data
Ion Correlation Effects in Salt-Doped Block Copolymers
Brown, Jonathan R.; Seo, Youngmi; Hall, Lisa M.
2018-03-01
We apply classical density functional theory to study how salt changes the microphase morphology of diblock copolymers. Polymers are freely jointed and one monomer type favorably interacts with ions, to account for the selective solvation that arises from different dielectric constants of the microphases. By including correlations from liquid state theory of an unbound reference fluid, the theory can treat chain behavior, microphase separation, ion correlations, and preferential solvation, at the same coarse-grained level. We show good agreement with molecular dynamics simulations.
Large nondipole correlation effects near atomic photoionization thresholds
International Nuclear Information System (INIS)
Amusia, M.Y.; Felfli, Z.; Msezane, A.Z.; Amusia, M.Y.; Amusia, M.Y.; Baltenkov, A.S.
1999-01-01
The parameter that determines the nondipole correction to the angular distribution is calculated for Ar 1s and 3s subshells in the Hartree-Fock (HF) approximation and taking account of the multielectron correlations, using the random-phase approximation with exchange. In the photoelectron energy range 0 - 100 eV the parameter, which for s subshells is nonzero at threshold, is found for Ar 3s to be strongly affected by multielectron correlations. Results are also presented for He and Be in the HF approximation. copyright 1999 The American Physical Society
Large nondipole correlation effects near atomic photoionization thresholds
Energy Technology Data Exchange (ETDEWEB)
Amusia, M.Y.; Felfli, Z.; Msezane, A.Z. [Department of Physics and Center for Theoretical Studies of Physical Systems, Clark Atlanta University, Atlanta, Georgia 30314 (United States); Amusia, M.Y. [The Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Amusia, M.Y. [A. F. Ioffe Physical-Technical Institute, St. Petersburg 194021 (Russia); Baltenkov, A.S. [Arifov Institute of Electronics, Akademgorodok, 700143 Tashkent, Republic of (Uzbekistan)
1999-04-01
The parameter that determines the nondipole correction to the angular distribution is calculated for Ar 1s and 3s subshells in the Hartree-Fock (HF) approximation and taking account of the multielectron correlations, using the random-phase approximation with exchange. In the photoelectron energy range 0{endash}100 eV the parameter, which for {ital s} subshells is nonzero at threshold, is found for Ar 3s to be strongly affected by multielectron correlations. Results are also presented for He and Be in the HF approximation. thinsp {copyright} {ital 1999} {ital The American Physical Society}
Uncertain Dynamics, Correlation Effects, and Robust Investment Decisions
DEFF Research Database (Denmark)
Flor, Christian Riis; Hesel, Søren
2015-01-01
We analyze a firm's investment problem when the dynamics of project value and investment cost are uncertain. We provide an explicit solution using a robust method for an ambiguity averse firm taking this into account. Ambiguity aversion regarding a common risk factor impacts differently than...... ambiguity aversion regarding investment cost residual risk. Correlation between project value and investment cost matters; ambiguity aversion regarding common risk can decrease the investment probability only if correlation is positive. Ambiguity aversion regarding residual risk always increases...... the investment probability. When only project value is risky, volatility can monotonically decrease the investment threshold; this does not hold with the multiple prior method....
Finite correlation time effects in kinematic dynamo problem
International Nuclear Information System (INIS)
Schekochihin, A.A.; Kulsrud, R.M.
2000-01-01
One-point statistics of the magnetic fluctuations in kinematic regime with large Prandtl number and non delta-correlated in time advecting velocity field are studied. A perturbation expansion in the ratio of the velocity correlation time to the dynamo growth time is constructed in the spirit of the Kliatskin-Tatarskii functional method and carried out to first order. The convergence properties are improved compared to the commonly used van Kampen-Terwiel method. The zeroth-order growth rate of the magnetic energy is estimated to be reduced (in three dimensions) by approximately 40%. This reduction is quite close to existing numerical results
Two-dimensional discrete solitons in dipolar Bose-Einstein condensates
International Nuclear Information System (INIS)
Gligoric, Goran; Stepic, Milutin; Hadzievski, Ljupco; Maluckov, Aleksandra; Malomed, Boris A.
2010-01-01
We analyze the formation and dynamics of bright unstaggered solitons in the disk-shaped dipolar Bose-Einstein condensate, which features the interplay of contact (collisional) and long-range dipole-dipole (DD) interactions between atoms. The condensate is assumed to be trapped in a strong optical-lattice potential in the disk's plane, hence it may be approximated by a two-dimensional (2D) discrete model, which includes the on-site nonlinearity and cubic long-range (DD) interactions between sites of the lattice. We consider two such models, which differ by the form of the on-site nonlinearity, represented by the usual cubic term, or more accurate nonpolynomial one, derived from the underlying three-dimensional Gross-Pitaevskii equation. Similar results are obtained for both models. The analysis is focused on the effects of the DD interaction on fundamental localized modes in the lattice (2D discrete solitons). The repulsive isotropic DD nonlinearity extends the existence and stability regions of the fundamental solitons. New families of on-site, inter-site, and hybrid solitons, built on top of a finite background, are found as a result of the interplay of the isotropic repulsive DD interaction and attractive contact nonlinearity. By themselves, these solutions are unstable, but they evolve into robust breathers which exist on an oscillating background. In the presence of the repulsive contact interactions, fundamental localized modes exist if the DD interaction (attractive isotropic or anisotropic) is strong enough. They are stable in narrow regions close to the anticontinuum limit, while unstable solitons evolve into breathers. In the latter case, the presence of the background is immaterial.
Xu, Yinlin; Ma, Qianli D Y; Schmitt, Daniel T; Bernaola-Galván, Pedro; Ivanov, Plamen Ch
2011-11-01
We investigate how various coarse-graining (signal quantization) methods affect the scaling properties of long-range power-law correlated and anti-correlated signals, quantified by the detrended fluctuation analysis. Specifically, for coarse-graining in the magnitude of a signal, we consider (i) the Floor, (ii) the Symmetry and (iii) the Centro-Symmetry coarse-graining methods. We find that for anti-correlated signals coarse-graining in the magnitude leads to a crossover to random behavior at large scales, and that with increasing the width of the coarse-graining partition interval Δ, this crossover moves to intermediate and small scales. In contrast, the scaling of positively correlated signals is less affected by the coarse-graining, with no observable changes when Δ 1 a crossover appears at small scales and moves to intermediate and large scales with increasing Δ. For very rough coarse-graining (Δ > 3) based on the Floor and Symmetry methods, the position of the crossover stabilizes, in contrast to the Centro-Symmetry method where the crossover continuously moves across scales and leads to a random behavior at all scales; thus indicating a much stronger effect of the Centro-Symmetry compared to the Floor and the Symmetry method. For coarse-graining in time, where data points are averaged in non-overlapping time windows, we find that the scaling for both anti-correlated and positively correlated signals is practically preserved. The results of our simulations are useful for the correct interpretation of the correlation and scaling properties of symbolic sequences.
Effects of temporal correlations in social multiplex networks.
Starnini, Michele; Baronchelli, Andrea; Pastor-Satorras, Romualdo
2017-08-17
Multi-layered networks represent a major advance in the description of natural complex systems, and their study has shed light on new physical phenomena. Despite its importance, however, the role of the temporal dimension in their structure and function has not been investigated in much detail so far. Here we study the temporal correlations between layers exhibited by real social multiplex networks. At a basic level, the presence of such correlations implies a certain degree of predictability in the contact pattern, as we quantify by an extension of the entropy and mutual information analyses proposed for the single-layer case. At a different level, we demonstrate that temporal correlations are a signature of a 'multitasking' behavior of network agents, characterized by a higher level of switching between different social activities than expected in a uncorrelated pattern. Moreover, temporal correlations significantly affect the dynamics of coupled epidemic processes unfolding on the network. Our work opens the way for the systematic study of temporal multiplex networks and we anticipate it will be of interest to researchers in a broad array of fields.
Energy Technology Data Exchange (ETDEWEB)
Voegeli, Beat; Yao Lishan; Bax, Ad [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)], E-mail: bax@nih.gov
2008-05-15
Triple resonance E.COSY-based techniques were used to measure intra-residue and sequential H{sup N}-H{sup {alpha}} residual dipolar couplings (RDCs) for the third IgG-binding domain of protein G (GB3), aligned in Pf1 medium. Measurements closely correlate with values predicted on the basis of an NMR structure, previously determined on the basis of a large number of one-bond backbone RDCs measured in five alignment media. However, in particular the sequential H{sup N}-H{sup {alpha}} RDCs are smaller than predicted for a static structure, suggesting a degree of motion for these internuclear vectors that exceeds that of the backbone amide N-H vectors. Of all experimentally determined GB3 structures available, the best correlation between experimental {sup 1}H-{sup 1}H couplings is observed for a GB3 ensemble, previously derived to generate a realistic picture of the conformational space sampled by GB3 (Clore and Schwieters, J Mol Biol 355:879-886, 2006). However, for both NMR and X-ray-derived structures the {sup 1}H-{sup 1}H couplings are found to be systematically smaller than expected on the basis of alignment tensors derived from {sup 15}N-{sup 1}H amide RDCs, assuming librationally corrected N-H bond lengths of 1.041 A.
Effect of correlated decay on fault-tolerant quantum computation
Lemberger, B.; Yavuz, D. D.
2017-12-01
We analyze noise in the circuit model of quantum computers when the qubits are coupled to a common bosonic bath and discuss the possible failure of scalability of quantum computation. Specifically, we investigate correlated (super-radiant) decay between the qubit energy levels from a two- or three-dimensional array of qubits without imposing any restrictions on the size of the sample. We first show that regardless of how the spacing between the qubits compares with the emission wavelength, correlated decay produces errors outside the applicability of the threshold theorem. This is because the sum of the norms of the two-body interaction Hamiltonians (which can be viewed as the upper bound on the single-qubit error) that decoheres each qubit scales with the total number of qubits and is unbounded. We then discuss two related results: (1) We show that the actual error (instead of the upper bound) on each qubit scales with the number of qubits. As a result, in the limit of large number of qubits in the computer, N →∞ , correlated decay causes each qubit in the computer to decohere in ever shorter time scales. (2) We find the complete eigenvalue spectrum of the exchange Hamiltonian that causes correlated decay in the same limit. We show that the spread of the eigenvalue distribution grows faster with N compared to the spectrum of the unperturbed system Hamiltonian. As a result, as N →∞ , quantum evolution becomes completely dominated by the noise due to correlated decay. These results argue that scalable quantum computing may not be possible in the circuit model in a two- or three- dimensional geometry when the qubits are coupled to a common bosonic bath.
Contrasting dynamics of electrons and protons in the near-Earth plasma sheet during dipolarization
Malykhin, Andrey Y.; Grigorenko, Elena E.; Kronberg, Elena A.; Koleva, Rositza; Ganushkina, Natalia Y.; Kozak, Ludmila; Daly, Patrick W.
2018-05-01
The fortunate location of Cluster and the THEMIS P3 probe in the near-Earth plasma sheet (PS) (at X ˜ -7-9 RE) allowed for the multipoint analysis of properties and spectra of electron and proton injections. The injections were observed during dipolarization and substorm current wedge formation associated with braking of multiple bursty bulk flows (BBFs). In the course of dipolarization, a gradual growth of the BZ magnetic field lasted ˜ 13 min and it was comprised of several BZ pulses or dipolarization fronts (DFs) with duration ≤ 1 min. Multipoint observations have shown that the beginning of the increase in suprathermal ( > 50 keV) electron fluxes - the injection boundary - was observed in the PS simultaneously with the dipolarization onset and it propagated dawnward along with the onset-related DF. The subsequent dynamics of the energetic electron flux was similar to the dynamics of the magnetic field during the dipolarization. Namely, a gradual linear growth of the electron flux occurred simultaneously with the gradual growth of the BZ field, and it was comprised of multiple short ( ˜ few minutes) electron injections associated with the BZ pulses. This behavior can be explained by the combined action of local betatron acceleration at the BZ pulses and subsequent gradient drifts of electrons in the flux pile up region through the numerous braking and diverting DFs. The nonadiabatic features occasionally observed in the electron spectra during the injections can be due to the electron interactions with high-frequency electromagnetic or electrostatic fluctuations transiently observed in the course of dipolarization. On the contrary, proton injections were detected only in the vicinity of the strongest BZ pulses. The front thickness of these pulses was less than a gyroradius of thermal protons that ensured the nonadiabatic acceleration of protons. Indeed, during the injections in the energy spectra of protons the pronounced bulge was clearly observed in a
Coulomb correlation effects in YBaCuO system
Energy Technology Data Exchange (ETDEWEB)
Costa-Quintana, J; Lopez-Aguilar, F; Munoz, J S; Sanchez, A [Dept. de Fisica, Grupo de Electromagnetismo, Univ. Autonoma de Barcelona (Spain); Balle, S [Dept. de Fisica, Univ. de les Illes Balears, Palma de Mallorca (Spain)
1989-12-01
In this work, we apply a mean field potential deduced from the multiband Hubbard hamiltonian in order to obtain the lower and upper strongly correlated bands. We have obtained the total and partial density of states for U{sub d} = 0 and U{sub d} = 4 eV. The results show that the density of states calculated with U{sub d} = 4 eV at E{sub F} is lesser than that obtained with U{sub d} = 0. A small peak above E{sub F} arising from the strong correlated bands appears in the dDOS calculated with U{sub d} = 4 eV and this is in agreement with the experimental data. (orig.).
Valence photoelectron spectrum of KBr: Effects of electron correlation
International Nuclear Information System (INIS)
Calo, A.; Huttula, M.; Patanen, M.; Aksela, H.; Aksela, S.
2008-01-01
The valence photoelectron spectrum has been measured for molecular KBr. Experimental energies of the main and satellite structures have been compared with the results of ab initio calculations based on molecular orbital theory including configuration and multiconfiguration interaction approaches. Comparison between the experimental KBr spectrum and previously reported Kr valence photoelectron spectrum has also been performed in order to find out if electron correlation is of the same importance in the valence ionized state of KBr as in the corresponding state of Kr
University students' psychopathology: correlates and the examiner's potential bias effect
Directory of Open Access Journals (Sweden)
Helena Espirito Santo
2015-02-01
Aims: the main objective was to verify if there is a difference on psychopathological symptoms between two groups questioned by two different examiners, controlling for the potential role of social desirability, and other potential covariates. Additionally, we want to assess the level of psychopathology and its socio-demographic correlates.Methods: 185 Coimbra's university students completed the Brief Symptom Inventory/BSI and the Marlowe-Crowne Social Desirability Scale. In one group the examiner was of the same age and academic status as the students, while in the other group the examiner was older and a teacher. We studied the psychopathological correlates with Pearson, point-biserial correlations, and qui-square analyses, and we controlled the potential role of covariates through Quade non-parametric ANCOVAs. Results: The level of distress was lower in comparison with other investigations. Women had higher level of distress and more symptoms of somatization, anxiety, phobic anxiety, obsessive-compulsion, and depression. The students that live a higher distance from home had more anxiety and obsessive-compulsive symptoms. The group assessed by the younger examiner scored higher in distress and in some BSI factors, and had lower levels on social desirability. Conclusions: Sex and distance from home seem important factors for university students' mental health. However, the examiner does have an influence in the evaluation, probably because of social desirability, suggesting that the examiner's characteristics should be given in investigations involving university students.
International Nuclear Information System (INIS)
Kotyatkina, Anna I; Zhabinsky, Vladimir N; Khripach, Vladimir A
2001-01-01
The published data on the use of 1,3-dipolar cycloaddition reactions of nitrile oxides in the synthesis of natural compounds and their analogues are systematised and reviewed. The bibliography includes 145 references.
Directory of Open Access Journals (Sweden)
Manjunatha Narayanarao
2016-12-01
Full Text Available A new series of spiropyrrolidine compounds containing indole/indazole moieties as side chains have been accomplished via a one-pot multicomponent synthesis. The method uses the 1,3-dipolar cycloaddition reaction between N-alkylvinylindole/indazole and azomethine ylides, prepared in situ from cyclic/acyclic amino acids. The 1,3-dipolar cycloaddition proceeds efficiently under thermal conditions to afford the regio- and stereospecific cyclic adducts.
del Valle, J C; García Blanco, F; Catalán, J
2015-04-02
The empirical solvent scales for polarizability (SP), dipolarity (SdP), acidity (SA), and basicity (SB) have been successfully used to interpret the solvatochromism of compounds dissolved in organic solvents and their solvent mixtures. Providing that the published solvatochromic parameters for the ionic liquids 1-(1-butyl)-3-methylimidazolium tetrafluoroborate, [BMIM][BF4] and 1-(1-butyl)-3-methylimidazolium hexafluorophosphate, [BMIM][PF6], are excessively widespread, their SP, SdP, SA, and SB values are measured herein at temperatures from 293 to 353 K. Four key points are emphasized herein: (i) the origin of the solvatochromic solvent scales--the gas phase, that is the absence of any medium perturbation--; (ii) the separation of the polarizability and dipolarity effects; (iii) the simplification of the probing process in order to obtain the solvatochromic parameters; and (iv) the SP, SdP, SA, and SB solvent scales can probe the polarizability, dipolarity, acidity, and basicity of ionic liquids as well as of organic solvents and water-organic solvent mixtures. From the multiparameter approach using the four pure solvent scales one can draw the conclusion that (a) the solvent influence of [BMIM][BF4] parallels that of formamide at 293 K, both of them miscible with water; (b) [BMIM][PF6] shows a set of solvatochromic parameters similar to that of chloroacetonitrile, both of them water insoluble; and (c) that the corresponding solvent acidity and basicity of the ionic liquids can be explained to a great extent from the cation species by comparing the empirical parameters of [BMIM](+) with those of the solvent 1-methylimidazole. The insolubility of [BMIM][PF6] in water as compared to [BMIM][BF4] is tentatively connected to some extent to the larger molar volume of the anion [PF6](-), and to the difference in basicity of [PF6](-) and [BF4](-).
Energy Technology Data Exchange (ETDEWEB)
Perez Alcazar, G.A., E-mail: gpgeperez@gmail.com [Departamento de Fisica, Universidad del Valle, A. A. 25360, Cali (Colombia); Unidad Asociada ICMM-IMA, Apdo. 155, 28230 Las Rozas, Madrid (Spain); Zamora, L.E. [Departamento de Fisica, Universidad del Valle, A. A. 25360, Cali (Colombia); Unidad Asociada ICMM-IMA, Apdo. 155, 28230 Las Rozas, Madrid (Spain); Tabares, J.A.; Piamba, J.F. [Departamento de Fisica, Universidad del Valle, A. A. 25360, Cali (Colombia); Gonzalez, J.M. [Unidad Asociada ICMM-IMA, Apdo. 155, 28230 Las Rozas, Madrid (Spain); Greneche, J.M. [LUNAM, Universite du Maine, Institut des Molecules et Materiaux du Mans, UMR CNRS 6283, 72085 Le Mans Cedex 9 (France); Martinez, A. [Instituto de Magnetismo Aplicado, P.O. Box 155, 28230 Las Rozas (Spain); Romero, J.J. [Instituto de Ceramica y Vidrio, CSIC, C/Kelsen 5, 28049, Madrid (Spain); Marco, J.F. [Instituto de Quimica Fisica Rocasolano, CSIC, C/Serrano 119, 28006 Madrid (Spain)
2013-02-15
Powders of melted disordered Fe{sub 50}Mn{sub 10}Al{sub 40} alloy were separated at different mean particle sizes as well as magnetically and structurally characterized. All the samples are BCC and show the same nanostructure. Particles larger than 250 {mu}m showed a lamellar shape compared to smaller particles, which exhibited a more regular form. All the samples are ferromagnetic at room temperature and showed reentrant spin-glass (RSG) and superparamagnetic (SP)-like behaviors between 30 and 60 K and 265 and > 280 K, respectively, as a function of frequency and particle size. The freezing temperature increases with increasing particle size while the blocking one decreases with particle size. The origin of these magnetic phenomena relies in the internal disordered character of samples and the competitive interaction of Fe and Mn atoms. The increase of their critical freezing temperature with increasing mean particle size is due to the increase of the magnetic dipolar interaction between the magnetic moment of each particle with the field produced by the other magnetic moments of their surrounding particles. - Highlights: Black-Right-Pointing-Pointer The effect of particle size in microsized powders of Fe{sub 50}Mn{sub 10}Al{sub 40} melted disordered alloy is studied. Black-Right-Pointing-Pointer Dipolar magnetic interaction between particles exists and this changes with the particle size. Black-Right-Pointing-Pointer For all the particle sizes the reentrant spin- glass and the superparamagnetic-like phases exist. Black-Right-Pointing-Pointer RSG and SP critical temperatures increase with increasing the dipolar magnetic interaction (the mean particle size).
Non-dipolar gauge links for transverse-momentum-dependent pion wave functions
International Nuclear Information System (INIS)
Wang, Y.M.
2016-01-01
I discuss the factorization-compatible definitions of transverse-momentum-dependent (TMD) pion wave functions which are fundamental theory inputs entering QCD factorization formulae for many hard exclusive processes. I will first demonstrate that the soft subtraction factor introduced to remove both rapidity and pinch singularities can be greatly reduced by making the maximal use of the freedom to construct the Wilson-line paths when defining the TMD wave functions. I will then turn to show that the newly proposed TMD definition with non-dipolar Wilson lines is equivalent to the one with dipolar gauge links and with a complicated soft function, to all orders of the perturbative expansion in the strong coupling, as far as the infrared behavior is concerned. (author)
Arrays of dipolar molecular rotors in Tris(o-phenylenedioxy) cyclotriphosphazene.
Zhao, Ke; Dron, Paul I; Kaleta, Jiří; Rogers, Charles T; Michl, Josef
2014-01-01
Regular two-dimensional or three-dimensional arrays of mutually interacting dipolar molecular rotors represent a worthy synthetic objective. Their dielectric properties, including possible collective behavior, will be a sensitive function of the location of the rotors, the orientation of their axes, and the size of their dipoles. Host-guest chemistry is one possible approach to gaining fine control over these factors. We describe the progress that has been achieved in recent years using tris (o-phenylenedioxy)cyclotriphosphazene as a host and a series of rod-shaped dipolar molecular rotors as guests. Structures of both surface and bulk inclusion compounds have been established primarily by solid-state nuclear magnetic resonance (NMR) and powder X-ray diffraction (XRD) techniques. Low-temperature dielectric spectroscopy revealed rotational barriers as low as 1.5 kcal/mol, but no definitive evidence for collective behavior has been obtained so far.
Strongly scale-dependent CMB dipolar asymmetry from super-curvature fluctuations
Energy Technology Data Exchange (ETDEWEB)
Byrnes, Christian [Department of Physics and Astronomy, University of Sussex, Brighton BN1 9QH (United Kingdom); Domènech, Guillem; Sasaki, Misao [Center for Gravitational Physics, Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Takahashi, Tomo, E-mail: C.Byrnes@sussex.ac.uk, E-mail: guillem.domenech@yukawa.kyoto-u.ac.jp, E-mail: misao@yukawa.kyoto-u.ac.jp, E-mail: tomot@cc.saga-u.ac.jp [Department of Physics, Saga University, Saga 840-8502 (Japan)
2016-12-01
We reconsider the observed CMB dipolar asymmetry in the context of open inflation, where a supercurvature mode might survive the bubble nucleation. If such a supercurvature mode modulates the amplitude of the curvature power spectrum, it would easily produce an asymmetry in the power spectrum. We show that current observational data can be accommodated in a three-field model, with simple quadratic potentials and a non-trivial field-space metric. Despite the presence of three fields, we believe this model is so far the simplest that can match current observations. We are able to match the observed strong scale dependence of the dipolar asymmetry, without a fine tuning of initial conditions, breaking slow roll or adding a feature to the evolution of any field.
Quantum-well exciton dipolar interaction: Polarization-dependence and Z-LT splitting
International Nuclear Information System (INIS)
Nguyen Ba An.
1996-12-01
We calculate the exciton dipolar interaction in a semiconductor quantum well. The explicit polarization-dependence, i.e, the dependence on both the exciton dipole moment μ-vector and its inplane wavevector k-vector is derived. The obtained results for the three modes (L, T and Z modes) of the long-range part of the dipolar interaction satisfy the polarization sum rule for any parameters. In the long wavelength limit there is a Z-LT splitting which decreases as the well width increases reflecting a crossover from strict 2D to quasi-2D. A rough crossover from quasi-2D to 3D is also described. (author). 18 refs, 4 figs
Energy Technology Data Exchange (ETDEWEB)
Hauet, T.; Gunther, C.M.; Pfau, B.; Eisebitt, S.; Fischer, P.; Rick, R. L.; Thiele, J.-U.; Hellwig, O.; Schabes, M.E.
2007-07-01
Dipolar interactions in a soft/Pd/hard [CoNi/Pd]{sub 30}/Pd/[Co/Pd]{sub 20} multilayer system, where a thick Pd layer between two ferromagnetic units prevents direct exchange coupling, are directly revealed by combining magnetometry and state-of-the-art layer resolving soft x-ray imaging techniques with sub-100-nm spatial resolution. The domains forming in the soft layer during external magnetic field reversal are found to match the domains previously trapped in the hard layer. The low Curie temperature of the soft layer allows varying its intrinsic parameters via temperature and thus studying the competition with dipolar fields due to the domains in the hard layer. Micromagnetic simulations elucidate the role of [CoNi/Pd] magnetization, exchange, and anisotropy in the duplication process. Finally, thermally driven domain replication in remanence during temperature cycling is demonstrated.
International Nuclear Information System (INIS)
Ferdinand, A; Probst, A-C; Birringer, R; Michels, A; Kaul, S N
2014-01-01
We report on how nanocrystal size affects the critical behaviour of the rare-earth metal Gd near the ferromagnetic-to-paramagnetic phase transition. The asymptotic critical behaviour of the coarse-grained polycrystalline sample (with an average crystallite size of L≅100 μm) is that of a (pure) uniaxial dipolar ferromagnet, as is the case with single crystal Gd, albeit the width of the asymptotic critical region (ACR) is reduced. As the grain size approaches ∼30 nm, the ACR is so narrow that it could not be accessed in the present experiments. Inaccessibly narrow ACR for L ∼ 30 nm and continuous increase in the width of the ACR as L decreases from 16 to 9.5 nm basically reflect a crossover to the random uniaxial dipolar fixed point caused by the quenched random exchange disorder prevalent at the internal interfaces (grain boundaries). (paper)
Energy Technology Data Exchange (ETDEWEB)
Fu, Yinan; Wand, A. Joshua, E-mail: wand@mail.med.upenn.edu [University of Pennsylvania, Department of Biochemistry and Biophysics, Johnson Research Foundation (United States)
2013-08-15
High-pressure NMR spectroscopy has emerged as a complementary approach for investigating various structural and thermodynamic properties of macromolecules. Noticeably absent from the array of experimental restraints that have been employed to characterize protein structures at high hydrostatic pressure is the residual dipolar coupling, which requires the partial alignment of the macromolecule of interest. Here we examine five alignment media that are commonly used at ambient pressure for this purpose. We find that the spontaneous alignment of Pf1 phage, d(GpG) and a C12E5/n-hexnanol mixture in a magnetic field is preserved under high hydrostatic pressure. However, DMPC/DHPC bicelles and collagen gel are found to be unsuitable. Evidence is presented to demonstrate that pressure-induced structural changes can be identified using the residual dipolar coupling.
International Nuclear Information System (INIS)
Sarrafi, Yaghoub; Asghari, Asieh; Sadatshahabi, Marzieh; Hamzehloueian, Mahshid; Alimohammadi, Kamal
2013-01-01
An efficient one-pot three-component procedure for the synthesis of novel spiroacenaphthene pyrroloisoquinolines with high regioselectivity is described. These compounds were prepared from 1,3-dipolar cycloaddition of an azomethine ylide generated from acenaphthenequinone and 1,2,3,4-tetrahydroisoquinoline via [1,5]-H shift, with chalcone and nitrostyrene derivatives as dipolarophiles. The structure and stereochemistry of the cycloadducts have been established by single crystal X-ray structure and spectroscopic techniques. (author)
International Nuclear Information System (INIS)
Sidebottom, D.L.; Green, P.F.; Brow, R.K.
1997-01-01
We compare the dielectric response of ionic glasses and dipolar liquids near the glass transition. Our work is divided into two parts. In the first section we examine ionic glasses and the two prominent approaches to analyzing the dielectric response. The conductivity of ion-conducting glasses displays a power law dispersion σ(ω)∝ω n , where n∼0.67, but frequently the dielectric response is analyzed using the electrical modulus M * (ω)=1/var-epsilon * (ω), where var-epsilon * (ω)=var-epsilon(ω)-iσ(ω)/ω is the complex permittivity. We reexamine two specific examples where the shape of M * (ω) changes in response to changes in (a) temperature and (b) ion concentration, to suggest fundamental changes in ion dynamics are occurring. We show, however, that these changes in the shape of M * (ω) occur in the absence of changes in the scaling properties of σ(ω), for which n remains constant. In the second part, we examine the dielectric relaxation found in dipolar liquids, for which var-epsilon * (ω) likewise exhibits changes in shape on approach to the glass transition. Guided by similarities of M * (ω) in ionic glasses and var-epsilon * (ω) in dipolar liquids, we demonstrate that a recent scaling approach proposed by Dixon and co-workers for var-epsilon * (ω) of dipolar relaxation also appears valid for M * (ω) in the ionic case. While this suggests that the Dixon scaling approach is more universal than previously recognized, we demonstrate how the dielectric response can be scaled in a linear manner using an alternative data representation. copyright 1997 The American Physical Society
Enantioselective 1,3-dipolar cycloadditions of diazoacetates with electron-deficient olefins.
Sibi, Mukund P; Stanley, Levi M; Soeta, Takahiro
2007-04-12
[reaction: see text] A general strategy for highly enantioselective 1,3-dipolar cycloaddition of diazoesters to beta-substituted, alpha-substituted, and alpha,beta-disubstituted alpha,beta-unsaturated pyrazolidinone imides is described. Cycloadditions utilizing less reactive alpha,beta-disubstituted dipolarophiles require elevated reaction temperatures, but still provide the corresponding pyrazolines with excellent enantioselectivities. Finally, an efficient synthesis of (-)-manzacidin A employing this cycloaddition methodology as a key step is illustrated.
NMR studies on 1,3-dipolar cycloaddition of nitrile oxides to norbornenes
International Nuclear Information System (INIS)
Gucma, Mirosław; Gołębiewski, W. Marek; Krawczyk, Maria
2013-01-01
The 1,3-dipolar cycloaddition reaction of nitrile oxides to norbornenes substituted with an acrylate-derived moiety was examined. Only adducts to norbornene system were formed with a good exo selectivity and complete site-selectivity. Structures of the products were elucidated by an extensive application of electrospray ionization-mass spectrometry (ESI-MS) and 2D 1 H and 13 C nuclear magnetic resonance (NMR). (author)
NMR studies on 1,3-dipolar cycloaddition of nitrile oxides to norbornenes
Energy Technology Data Exchange (ETDEWEB)
Gucma, Miroslaw; Golebiewski, W. Marek; Krawczyk, Maria, E-mail: golebiewski@ipo.waw.pl [Institute of Industrial Organic Chemistry, Warsaw (Poland)
2013-05-15
The 1,3-dipolar cycloaddition reaction of nitrile oxides to norbornenes substituted with an acrylate-derived moiety was examined. Only adducts to norbornene system were formed with a good exo selectivity and complete site-selectivity. Structures of the products were elucidated by an extensive application of electrospray ionization-mass spectrometry (ESI-MS) and 2D {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR). (author)
Energy Technology Data Exchange (ETDEWEB)
Sarrafi, Yaghoub; Asghari, Asieh; Sadatshahabi, Marzieh, E-mail: ysarrafi@umz.ac.ir [Department of Organic Chemistry, Faculty of Chemistry, University of Mazandaran (Iran, Islamic Republic of); Hamzehloueian, Mahshid [Department of Chemistry, Jouybar Branch, Islamic Azad University, Jouybar (Iran, Islamic Republic of); Alimohammadi, Kamal [Department of Chemistry, Dr. Shariati Branch, University of Farhangian, Sari (Iran, Islamic Republic of)
2013-12-01
An efficient one-pot three-component procedure for the synthesis of novel spiroacenaphthene pyrroloisoquinolines with high regioselectivity is described. These compounds were prepared from 1,3-dipolar cycloaddition of an azomethine ylide generated from acenaphthenequinone and 1,2,3,4-tetrahydroisoquinoline via [1,5]-H shift, with chalcone and nitrostyrene derivatives as dipolarophiles. The structure and stereochemistry of the cycloadducts have been established by single crystal X-ray structure and spectroscopic techniques. (author)
Seidu, Azimatu; Marini, Andrea; Gatti, Matteo
2018-03-01
Beryllium is a weakly correlated simple metal. Still we find that dynamical correlation effects, beyond the independent-particle picture, are necessary to successfully interpret the electronic spectra measured by inelastic x-ray scattering (IXS) and photoemission spectroscopies (PES). By combining ab initio time-dependent density-functional theory (TDDFT) and many-body Green's function theory in the G W approximation (G W A ), we calculate the dynamic structure factor, the quasiparticle (QP) properties and PES spectra of bulk Be. We show that band-structure effects (i.e., due to interaction with the crystal potential) and QP lifetimes (LT) are both needed in order to explain the origin of the measured double-peak features in the IXS spectra. A quantitative agreement with experiment is obtained only when LT are supplemented to the adiabatic local-density approximation (ALDA) of TDDFT. Besides the valence band, PES spectra display a satellite, a signature of dynamical correlation due to the coupling of QPs and plasmons, which we are able to reproduce thanks to the combination of the G W A for the self-energy with the cumulant expansion of the Green's function.
Absence of Long-Range Order in a Triangular Spin System with Dipolar Interactions
Keleş, Ahmet; Zhao, Erhai
2018-05-01
The antiferromagnetic Heisenberg model on the triangular lattice is perhaps the best known example of frustrated magnets, but it orders at low temperatures. Recent density matrix renormalization group (DMRG) calculations find that the next nearest neighbor interaction J2 enhances the frustration, and it leads to a spin liquid for J2/J1∈(0.08 ,0.15 ). In addition, a DMRG study of a dipolar Heisenberg model with longer range interactions gives evidence for a spin liquid at a small dipole tilting angle θ ∈[0 ,1 0 ° ). In both cases, the putative spin liquid region appears to be small. Here, we show that for the triangular lattice dipolar Heisenberg model, a robust quantum paramagnetic phase exists in a surprisingly wide region, θ ∈[0 ,5 4 ° ) , for dipoles tilted along the lattice diagonal direction. We obtain the phase diagram of the model by functional renormalization group (RG), which treats all magnetic instabilities on equal footing. The quantum paramagnetic phase is characterized by a smooth continuous flow of vertex functions and spin susceptibility down to the lowest RG scale, in contrast to the apparent breakdown of RG flow in phases with stripe or spiral order. Our finding points to a promising direction to search for quantum spin liquids in ultracold dipolar molecules.
Nonlinear localized modes in dipolar Bose-Einstein condensates in optical lattices
International Nuclear Information System (INIS)
Rojas-Rojas, S.; Vicencio, R. A.; Molina, M. I.; Abdullaev, F. Kh.
2011-01-01
Modulational instability and discrete matter wave solitons in dipolar BECs, loaded into a deep optical lattice, are investigated analytically and numerically. The process of modulational instability of nonlinear plane matter waves in a dipolar nonlinear lattice is studied and the regions of instability are established. The existence and stability of bulk discrete solitons are analyzed analytically and confirmed by numerical simulations. In marked contrast with the usual discrete nonlinear Schroedinger behavior (no dipolar interactions), we found a region where the two fundamental modes are simultaneously unstable, allowing enhanced mobility across the lattice for large norm values. To study the existence and properties of surface discrete solitons, an analysis of the dimer configuration is performed. The properties of symmetric and antisymmetric modes including stability diagrams and bifurcations are investigated in closed form. For the case of a bulk medium, properties of fundamental on-site and intersite localized modes are analyzed. On-site and intersite surface localized modes are studied, and we find that they do not exist when nonlocal interactions predominate with respect to local ones.
Phase transitions to dipolar clusters and charge density waves in high T{sub c} superconductors
Energy Technology Data Exchange (ETDEWEB)
Saarela, M., E-mail: Mikko.Saarela@oulu.fi [Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014 (Finland); Kusmartsev, F.V. [Department of Physics, Loughborough University, LE11 3TU (United Kingdom)
2017-02-15
We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.
Phase transitions to dipolar clusters and charge density waves in high T_c superconductors
International Nuclear Information System (INIS)
Saarela, M.; Kusmartsev, F.V.
2017-01-01
We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.
Measurement of the rapidity-even dipolar flow in Pb-Pb collisions with the ATLAS detector
Jia, Jiangyong
2012-01-01
The rapidity-even dipolar flow $v_1$ associated with dipole asymmetry of in the initial geometry is measured over broad ranges in $p_T$ ($0.5-9$ GeV) and centrality (0-50%) in Pb-Pb collisions at $\\sqrt{s_{_{\\mathrm{NN}}}}=2.76$ TeV, recorded by the ATLAS experiment at the LHC. The $v_1$ coefficient is obtained via a two-component fit of the first order Fourier coefficient $v_{1,1}=\\langle\\cos \\Delta\\phi \\rangle$ of two particle correlation in relative azimuthal angle $\\Delta\\phi=\\phi_{\\mathrm{a}}-\\phi_{\\mathrm{b}}$ as a function of $p_T^{\\mathrm a}$ and $p_T^{\\mathrm b}$. This fit is motivated by the finding that the $p_T$ dependence of the $v_{1,1}(p_T^{\\mathrm a},p_T^{\\mathrm b})$ data are consistent with the combined contributions from a rapidity-even $v_1$ and global momentum conservation. The extracted $v_1$ is observed to cross zero at $p_T\\approx1.0$ GeV, reaches a maximum at 4--5 GeV with a value comparable to that for $v_3$, and decreases at higher $p_T$. Interestingly, the magnitude of $v_1$ at hig...
Effect of correlation on covariate selection in linear and nonlinear mixed effect models.
Bonate, Peter L
2017-01-01
The effect of correlation among covariates on covariate selection was examined with linear and nonlinear mixed effect models. Demographic covariates were extracted from the National Health and Nutrition Examination Survey III database. Concentration-time profiles were Monte Carlo simulated where only one covariate affected apparent oral clearance (CL/F). A series of univariate covariate population pharmacokinetic models was fit to the data and compared with the reduced model without covariate. The "best" covariate was identified using either the likelihood ratio test statistic or AIC. Weight and body surface area (calculated using Gehan and George equation, 1970) were highly correlated (r = 0.98). Body surface area was often selected as a better covariate than weight, sometimes as high as 1 in 5 times, when weight was the covariate used in the data generating mechanism. In a second simulation, parent drug concentration and three metabolites were simulated from a thorough QT study and used as covariates in a series of univariate linear mixed effects models of ddQTc interval prolongation. The covariate with the largest significant LRT statistic was deemed the "best" predictor. When the metabolite was formation-rate limited and only parent concentrations affected ddQTc intervals the metabolite was chosen as a better predictor as often as 1 in 5 times depending on the slope of the relationship between parent concentrations and ddQTc intervals. A correlated covariate can be chosen as being a better predictor than another covariate in a linear or nonlinear population analysis by sheer correlation These results explain why for the same drug different covariates may be identified in different analyses. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.
Organic Conductors: Evidence for Correlation Effects in Infrared Properties
DEFF Research Database (Denmark)
Jacobsen, Claus Schelde; Johannsen, Ib; Bechgaard, Klaus
1984-01-01
The infrared conductivities of four organic conductors with partially filled one-electron bands are compared. The behavior ranges from near Drude type in the best metal to semiconductorlike in the moderate conductor. Electron-molecular-vibration coupling effects of varying degree are seen in all...... materials. It is suggested that the combined effect of electron-electron interaction and electron-phonon interaction in producing 4kF charge-density waves is essential for interpreting the results....
Cognitive and electrophysiological correlates of the bilingual Stroop effect
Directory of Open Access Journals (Sweden)
Lavelda J. Naylor
2012-04-01
Full Text Available The bilingual color-word Stroop effect is commonly half the magnitude when naming and reading languages are different than the same. This between-within language Stroop difference (BWLS is likened to a response set effect, with greater response conflict for response relevant than irrelevant words. The BWLS was analyzed in 2 experiments. Color congruent and incongruent words (Exp 1 appeared in the naming language or not (single, or randomly in both languages (mixed. The BWLS effect was observed in both balanced and unbalanced bilinguals. However, color congruent trials during mixed-language blocks led to slower times between than within languages, indicating that response irrelevant stimuli interfered with processing. To investigate the neural timing of the BWLS effect (Exp 2, event related potentials were recorded while balanced bilinguals named silently. Replicating monolingual findings, an N450 effect was observed with larger negative amplitude for color incongruent than congruent trials (350-550 ms post stimulus onset. This effect was equivalent within and between languages, indicating that color words from both languages created response conflict, contrary to a response set effect. A sustained negativity followed with larger amplitude for color incongruent than congruent trials, resolving earlier for between than within language Stroop. The effect shared timing (550-700 ms, but not morphology or distribution with a previously reported sustained potential. Finally, a larger early negativity (200-350 ms was observed for between than within languages independent of color congruence. This no-go N2-like negativity may reflect processes of inhibitory control that facilitate the resolution of conflict at the sustained negativity, while the N450 reflects parallel processing of distracter words, independent of response set. In sum, the BWLS reflects brain activity over time with contributions from language and color conflict at different points.
International Nuclear Information System (INIS)
Furman, G.B.; Panich, A.M.; Goren, S.D.
1998-01-01
The phenomena of spin diffusion and spin lattice relaxation of nuclear dipolar order in solids containing paramagnetic impurities (PI) is considered. We show that at the beginning of the relaxation process the diffusion vanishing regime realizes with non-exponential time dependence, R(t) ∼ exp [- (t/T 1d ) α ], where T 1d ∼ C p -1/α , C p is PI's concentration. For a homogeneous distribution of Pis and nuclear spins, α=Q/6, where Q is the sample dimensionality; for an inhomogeneous distribution, the sample is divided into q-dimensional subsystems, each containing one PI, yield- ing α= (Q + q) /6. This result coincides with experimental data for CaF 2 doped with 0.8 - 10 -3 ωt % of Mn 2+ , where the non-exponential decay of the dipolar signal with α= 0.83 has been observed [3]. Fitting the experimental data yields a good agreement with T 1d = 66 ms . For another independent check of the obtained results we use dependence of the relaxation time on impurities concentration. In accordance that 1/α=1.2 , we have T 1d ∼ C p -1 '. 2 . Exactly this dependence on impurity concentration of the relaxation time has been found in the experiment. Then the relaxation regime starts as a non-exponential time dependent, proceed asymptotically to an to an exponential function of time, to so called diffusion limited relaxation regime with relaxation time T 1d D is inversely depends on impurities concentration. This kind of relaxation behavior of the dipolar order takes place in the experiment [2]. Using experimental results [2] from this two regime we can estimate the diffusion coefficient of the nuclear dipolar order in CaF 2 , which gives for typical values of impurity concentration C p ∼ 10 18 cm 3 the diffusion coefficient of dipolar order in the interval D ∼ 10 -11 -i- 10 -12 cm 2 /sec which is coincide to the case of Zeeman energy spin diffusion
Task effects on BOLD signal correlates of implicit syntactic processing
Caplan, David
2010-01-01
BOLD signal was measured in sixteen participants who made timed font change detection judgments in visually presented sentences that varied in syntactic structure and the order of animate and inanimate nouns. Behavioral data indicated that sentences were processed to the level of syntactic structure. BOLD signal increased in visual association areas bilaterally and left supramarginal gyrus in the contrast of sentences with object- and subject-extracted relative clauses without font changes in which the animacy order of the nouns biased against the syntactically determined meaning of the sentence. This result differs from the findings in a non-word detection task (Caplan et al, 2008a), in which the same contrast led to increased BOLD signal in the left inferior frontal gyrus. The difference in areas of activation indicates that the sentences were processed differently in the two tasks. These differences were further explored in an eye tracking study using the materials in the two tasks. Issues pertaining to how parsing and interpretive operations are affected by a task that is being performed, and how this might affect BOLD signal correlates of syntactic contrasts, are discussed. PMID:20671983
Correlated mutations in protein sequences: Phylogenetic and structural effects
Energy Technology Data Exchange (ETDEWEB)
Lapedes, A.S. [Los Alamos National Lab., NM (United States). Theoretical Div.]|[Santa Fe Inst., NM (United States); Giraud, B.G. [C.E.N. Saclay, Gif/Yvette (France). Service Physique Theorique; Liu, L.C. [Los Alamos National Lab., NM (United States). Theoretical Div.; Stormo, G.D. [Univ. of Colorado, Boulder, CO (United States). Dept. of Molecular, Cellular and Developmental Biology
1998-12-01
Covariation analysis of sets of aligned sequences for RNA molecules is relatively successful in elucidating RNA secondary structure, as well as some aspects of tertiary structure. Covariation analysis of sets of aligned sequences for protein molecules is successful in certain instances in elucidating certain structural and functional links, but in general, pairs of sites displaying highly covarying mutations in protein sequences do not necessarily correspond to sites that are spatially close in the protein structure. In this paper the authors identify two reasons why naive use of covariation analysis for protein sequences fails to reliably indicate sequence positions that are spatially proximate. The first reason involves the bias introduced in calculation of covariation measures due to the fact that biological sequences are generally related by a non-trivial phylogenetic tree. The authors present a null-model approach to solve this problem. The second reason involves linked chains of covariation which can result in pairs of sites displaying significant covariation even though they are not spatially proximate. They present a maximum entropy solution to this classic problem of causation versus correlation. The methodologies are validated in simulation.
Electron correlation effects on the d-d excitations in NiO
de Graaf, C; Broer, R.; Nieuwpoort, WC
1996-01-01
The partly filled 3d shell in solid transition metal compounds is quite localized on the transition metal ion and gives rise to large electron correlation effects. With the recently developed CASSCF/CASPT2 approach electron correlation effects can be accounted for efficiently. The CASSCF step
Effects of pairing correlation on nuclear level density parameter and nucleon separation energy
International Nuclear Information System (INIS)
Rajesekaran, T.R.; Selvaraj, S.
2002-01-01
A systematic study of effects of pairing correlations on nuclear level density parameter 'a' and neutron separation energy S N is presented for 152 Gd using statistical theory of nuclei with deformation, collective and noncollective rotational degrees of freedom, shell effects, and pairing correlations
Correlation effects of third-order perturbation in the extended Hubbard model
International Nuclear Information System (INIS)
Wei, G.Z.; Nie, H.Q.; Li, L.; Zhang, K.Y.
1989-01-01
Using the local approach, a third-order perturbation calculation has been performed to investigate the effects of intra-atomic electron correlation and electron and spin correlation between nearest neighbour sites in the extended Hubbard model. It was found that significant correction of the third order over the second order results and, in comparison with the results of the third-order perturbation where only the intra-atomic electron correlation is included, the influence of the electron and spin correlation between nearest neighbour sites on the correlation energy is non-negligible. 17 refs., 3 figs
International Nuclear Information System (INIS)
Kuramoto, Y.
1982-01-01
The giant quantum attenuation of ultrasound in bismuth and other semimetals is noticeably enhanced when certain pair of Landau subbands of electrons and holes participate simultaneously in an attenuation peak. A theoretical analysis is presented which emphasizes importance of dynamical effects of the electron-hole correlation. In the temperature range between 1K and 4K covered by most experiments, the correlation effect is found to be weak on the real part of the relevant response function which gives change in sound velocity. This implies that equilibrium properties of the system are not much influenced by the correlation effect. Nonetheless, the electron-hole correlation is shown to have a drastic consequence on the imaginary part of the response function probed by the ultrasonic attenuation. Proposal for experiment is advanced to discriminate relative importance of this exciton-like correlation from that of repulsive correlation between carriers with the same charge. (orig.)
Correlation between effective dose and radiological risk: general concepts
Energy Technology Data Exchange (ETDEWEB)
Costa, Paulo Roberto; Yoshimura, Elisabeth Mateus; Nersissian, Denise Yanikian; Melo, Camila Souza, E-mail: pcosta@if.usp.br [Universidade de Sao Paulo (IF/USP), Sao Paulo, SP (Brazil). Instituto de Fisica
2016-05-15
The present review aims to offer an educational approach related to the limitations in the use of the effective dose magnitude as a tool for the quantification of doses resulting from diagnostic applications of ionizing radiation. We present a critical analysis of the quantities accepted and currently used for dosimetric evaluation in diagnostic imaging procedures, based on studies published in the literature. It is highlighted the use of these quantities to evaluate the risk attributed to the procedure and to calculate the effective dose, as well as to determine its correct use and interpretation. (author)
The Intimate Correlation of Invitational Education and Effective Classroom Management
Riner, Phillip S.
2003-01-01
Critics of Invitational Education and other self-concept approaches to learning have long argued that there is a lack of empirical data to support the claims that approaches to student instruction based on self-concept theory are central to effective learning. Ellis (2001) examines a number of these analyses where self-concept, self-esteem, and…
Neural correlates of testing effects in vocabulary learning
Broek, G.S.E. van den; Takashima, A.; Segers, P.C.J.; Fernandez, G.S.E.; Verhoeven, L.T.W.
2013-01-01
Tests that require memory retrieval strongly improve long-term retention in comparison to continued studying. For example, once learners know the translation of a word, restudy practice, during which they see the word and its translation again, is less effective than testing practice, during which
Correlates of the Rosenberg Self-Esteem Scale Method Effects
Quilty, Lena C.; Oakman, Jonathan M.; Risko, Evan
2006-01-01
Investigators of personality assessment are becoming aware that using positively and negatively worded items in questionnaires to prevent acquiescence may negatively impact construct validity. The Rosenberg Self-Esteem Scale (RSES) has demonstrated a bifactorial structure typically proposed to result from these method effects. Recent work suggests…
Torsional Alfvén Waves in a Dipolar Magnetic Field
Nataf, H. C.; Tigrine, Z.; Cardin, P.; Schaeffer, N.
2017-12-01
The discovery of torsional Alfvén waves in the Earth's core (Gillet et al, 2010) is a strong motivation for investigating the properties of these waves. Here, we report on the first experimental study of such waves. Alfvén waves are difficult to excite and observe in liquid metals because of their high magnetic diffusivity. Nevertheless, we obtained clear signatures of such diffusive waves in our DTS experiment. In this setup, some 40 liters of liquid sodium are contained between a ro = 210 mm-radius stainless steel outer shell, and a ri = 74 mm-radius copper inner sphere. Both spherical boundaries can rotate independently around a common vertical axis. The inner sphere shells a strong permanent magnet, which produces a nearly dipolar magnetic field whose intensity falls from 175 mT at ri to 8 mT at ro in the equatorial plane. We excite Alfvén waves in the liquid sodium by applying a sudden jerk of the inner sphere. To study the effect of global rotation, which leads to the formation of geostrophic torsional Alfvén waves, we spin the experiment at rotation rates fo = fi up to 15 Hz. The Alfvén wave produces a clear azimuthal magnetic signal on magnetometers installed in a sleeve inside the fluid. We also probe the associated azimuthal velocity field using ultrasound Doppler velocimetry. Electric potentials at the surface of the outer sphere turn out to be very revealing as well. In parallel, we use the XSHELLS magnetohydrodynamics spherical code to model torsional Alfvén waves in the experimental conditions, and beyond. We explore both linear and non-linear regimes. We observe a strong excitation of inertial waves in the equatorial plane, where the wave transits from a region of strong magnetic field to a region dominated by rotation (see figure of meridian map of azimuthal velocity). These novel observations should help deciphering the dynamics of Alfvén waves in planetary cores.
Correlation of displacement effects produced by electrons, protons, and neutrons in silicon
International Nuclear Information System (INIS)
van Lint, V.A.J.; Gigas, G.; Barengoltz, J.
1975-01-01
The correlation of displacement effects produced by electrons, protons, and neutrons in silicon is studied. Available data from the literature is employed. In particular the scope of the study is limited to the degradation of excess carrier lifetime and device electrical parameters directly related to it. The degree to which displacement effects may be correlated in order to predict semiconductor device response based on response data to another type of radiation is discussed. Useful ranges of the correlation factors (K/sub tau/ ratios) as a function of device majority carrier type, device resistivity, and injection level are presented. A significant dependence on injection level for the correlation factors is found
Correlative study on anemia and radiotherapy effects in nasopharyngeal carcinoma
International Nuclear Information System (INIS)
Chen Jinsheng; Jiang Yuanshi; Cao Xibiao; Zhan Yongzhong; Yang Liye; Chen Jianxiu; Chen Chengwu; Li Yang
2003-01-01
Objective: To study the effect of oxygen-carrying ability of blood efficacy of radiotherapy for patients with nasopharyngeal carcinoma. Methods: Altogether 161 cases of patients with nasopharyngeal carcinoma were classified according to severity of anemia, and Hb, RBC, MCH, HCT, MCV, MCHC and RDW were tested before, during and after radiotherapy. The patients were followed-up for up to 5 years, the relationship and mechanism among anemia, radiotherapy effects and survival rate was discussed. Results: The survival rate between anemia group and non-anemia group was different significantly (P<0.05). Anemia before radiotherapy, anemia appearance or anemia deterioration during radiotherapy were sensitive factors affecting radiotherapy results. The anemia more severe, the radiotherapy worse. Conclusion: Anemia-hypohemoglobinemia leads to decrease of oxygen-carrying capacity of blood, resulting in oxygen deficiency of tumor cells and their radiotherapy resistance. Therefore this method is worthy of further studies
Dipolar rotors orderly aligned in mesoporous fluorinated organosilica architectures
Bracco, Silvia; Beretta, Mario; Cattaneo, Alice Silvia; Comotti, Angiolina; Falqui, Andrea; Zhao, Ke; Rogers, Charles T.; Sozzani, Piero
2015-01-01
New mesoporous covalent frameworks, based on hybrid fluorinated organosilicas, were prepared to realize a periodic architecture of fast molecular rotors containing dynamic dipoles in their structure. The mobile elements, designed on the basis of fluorinated p-divinylbenzene moieties, were integrated into the robust covalent structure through siloxane bonds, and showed not only the rapid dynamics of the aromatic rings (ca. 108 Hz at 325 K), as detected by solid-state NMR spectroscopy, but also a dielectric response typical of a fast dipole reorientation under the stimuli of an applied electric field. Furthermore, the mesochannels are open and accessible to diffusing in gas molecules, and rotor mobility could be individually regulated by I2 vapors. The iodine enters the channels of the periodic structure and reacts with the pivotal double bonds of the divinyl-fluoro-phenylene rotors, affecting their motion and the dielectric properties. Oriented molecular rotors: Fluorinated molecular rotors (see picture) were engineered in mesoporous hybrid organosilica architectures with crystalline order in their walls. The rotor dynamics was established by magic angle spinning NMR and dielectric measurements, indicating a rotational correlation time as short as 10-9 s at 325 K. The dynamics was modulated by I2 vapors entering the pores.
Dipolar rotors orderly aligned in mesoporous fluorinated organosilica architectures
Bracco, Silvia
2015-02-16
New mesoporous covalent frameworks, based on hybrid fluorinated organosilicas, were prepared to realize a periodic architecture of fast molecular rotors containing dynamic dipoles in their structure. The mobile elements, designed on the basis of fluorinated p-divinylbenzene moieties, were integrated into the robust covalent structure through siloxane bonds, and showed not only the rapid dynamics of the aromatic rings (ca. 108 Hz at 325 K), as detected by solid-state NMR spectroscopy, but also a dielectric response typical of a fast dipole reorientation under the stimuli of an applied electric field. Furthermore, the mesochannels are open and accessible to diffusing in gas molecules, and rotor mobility could be individually regulated by I2 vapors. The iodine enters the channels of the periodic structure and reacts with the pivotal double bonds of the divinyl-fluoro-phenylene rotors, affecting their motion and the dielectric properties. Oriented molecular rotors: Fluorinated molecular rotors (see picture) were engineered in mesoporous hybrid organosilica architectures with crystalline order in their walls. The rotor dynamics was established by magic angle spinning NMR and dielectric measurements, indicating a rotational correlation time as short as 10-9 s at 325 K. The dynamics was modulated by I2 vapors entering the pores.
Evidence for pair correlation effects in heavy ion reactions
Auditore, L; D'Amico, V; De Pasquale, D; Trifiró, A; Trimarchi, M; Italiano, A
2003-01-01
The study of the sup 1 sup 2 C( sup 1 sup 4 N, sup 1 sup 4 N) sup 1 sup 2 C reaction was performed at 28 and 35 MeV beam energies. The results were analyzed in the frame of the EFRDWBA (Exact-Finite-Range Distorted Wave Born Approximation) assuming the simultaneous and sequential transfer of a np pair. The angular distributions, fairly reproduced in the first case, confirm the validity of the generalized BCS (Bardeen-Cooper-Schrieffer) theory to explain this behaviour. Moreover, this process could be regarded as a possible Nuclear Josephson Effect. (author)
Correlation and dimensional effects of trions in carbon nanotubes
DEFF Research Database (Denmark)
Rønnow, Troels Frimodt; Pedersen, Thomas Garm; Cornean, Horia
2010-01-01
We study the binding energies of singlet trions, i.e., charged excitons, in carbon nanotubes. The problem is modeled, through the effective-mass model, as a three-particle complex on the surface of a cylinder, which we investigate using both one- and two-dimensional expansions of the wave function...... are used to compute physical binding energies for a wide selection of carbon nanotubes. In addition, the dependence on dielectric screening is examined. Our findings indicate that trions are detectable at room temperature in carbon nanotubes with radius below 8 Å....
Neural correlates of testing effects in vocabulary learning.
van den Broek, Gesa S E; Takashima, Atsuko; Segers, Eliane; Fernández, Guillén; Verhoeven, Ludo
2013-09-01
Tests that require memory retrieval strongly improve long-term retention in comparison to continued studying. For example, once learners know the translation of a word, restudy practice, during which they see the word and its translation again, is less effective than testing practice, during which they see only the word and retrieve the translation from memory. In the present functional magnetic resonance imaging (fMRI) study, we investigated the neuro-cognitive mechanisms underlying this striking testing effect. Twenty-six young adults without prior knowledge of Swahili learned the translation of 100 Swahili words and then further practiced the words in an fMRI scanner by restudying or by testing. Recall of the translations on a final memory test after one week was significantly better and faster for tested words than for restudied words. Brain regions that were more active during testing than during restudying included the left inferior frontal gyrus, ventral striatum, and midbrain areas. Increased activity in the left inferior parietal and left middle temporal areas during testing but not during restudying predicted better recall on the final memory test. Together, results suggest that testing may be more beneficial than restudying due to processes related to targeted semantic elaboration and selective strengthening of associations between retrieval cues and relevant responses, and may involve increased effortful cognitive control and modulations of memory through striatal motivation and reward circuits. Copyright © 2013 Elsevier Inc. All rights reserved.
Radiation doses and correlated late effects in diagnostic radiology
International Nuclear Information System (INIS)
Gustafsson, M.
1980-04-01
Patient irradiation in diagnostic radiology was estimated from measurements of absorbed doses in different organs, assessment of the energy imparted and retrospective calculations based on literature data. Possible late biological effects, with special aspects on children, were surveyed. The dose to the lens of the eye and the possibility of shielding in carotid angiography was studied as was the absorbed dose to the thyroid gland at cardiac catheterization and angiocardiography in children. Calculations of the mean bone marrow dose and gonad doses were performed in children with chronic skeletal disease revealing large contributions from examinations of organs other than the skeleton. The dose distribution in the breast in mammography was investigated. Comparison of the energy imparted in common roentgen examinations in 1960 and 1975 showed an unexpected low decrease in spite of technical improvements. Reasons for the failing decrease are discussed. The energy imparted to children in urological examinations was reduced significantly due to introduction of high sensitivity screens and omission of dose demanding projections. Contributions to the possible late effects were estimated on the basis of the organ doses assessed. (author)
Coulomb drag in electron-hole bilayer: Mass-asymmetry and exchange correlation effects
Arora, Priya; Singh, Gurvinder; Moudgil, R. K.
2018-04-01
Motivated by a recent experiment by Zheng et al. [App. Phys. Lett. 108, 062102 (2016)] on coulomb drag in electron-hole and hole-hole bilayers based on GaAs/AlGaAs semiconductor heterostructure, we investigate theoretically the influence of mass-asymmetry and temperature-dependence of correlations on the drag rate. The correlation effects are dealt with using the Vignale-Singwi effective inter-layer interaction model which includes correlations through local-field corrections to the bare coulomb interactions. However, in this work, we have incorporated only the intra-layer correlations using the temperature-dependent Hubbard approximation. Our results display a reasonably good agreement with the experimental data. However, it is crucial to include both the electron-hole mass-asymmetry and temperature-dependence of correlations. Mass-asymmetry and correlations are found to result in a substantial enhancement of drag resistivity.
Light Wavelength Correlation on the Effect of Hair Growth
International Nuclear Information System (INIS)
Wan Saffiey Wan Abdullah
2010-01-01
The use of laser light as a bio stimulator at certain wavelength is a new development in laser photonics and become an acceptable tool in medical therapy. It based on low power and low energy laser light. The effect of biological cells behaviour to low power laser light stimulates various studies in many areas such as for medical and cosmetic applications. This paper discusses some results of low power laser light that is used for stimulating the hair growth of skinned mouse by using an optically expanded low power laser light. The study indicates that the red light laser provide a significant growth of mouse hair with exposure duration of two hours daily for 24 consecutive days. Apart from that the green laser light is also used in this study; however result shows no significant influence to the growth of mouse hair in this light wavelength. (author)
International Nuclear Information System (INIS)
Jung, J.; Alvarellos, J.E.; Garcia-Gonzalez, P.; Godby, R.W.
2004-01-01
The complex nature of electron-electron correlations is made manifest in the very simple but nontrivial problem of two electrons confined within a sphere. The description of highly nonlocal correlation and self-interaction effects by widely used local and semilocal exchange-correlation energy density functionals is shown to be unsatisfactory in most cases. Even the best such functionals exhibit significant errors in the Kohn-Sham potentials and density profiles
Effect of degree correlations above the first shell on the percolation transition
Valdez, L. D.; Buono, C.; Braunstein, L. A.; Macri, P. A.
2011-01-01
The use of degree-degree correlations to model realistic networks which are characterized by their Pearson's coefficient, has become widespread. However the effect on how different correlation algorithms produce different results on processes on top of them, has not yet been discussed. In this letter, using different correlation algorithms to generate assortative networks, we show that for very assortative networks the behavior of the main observables in percolation processes depends on the a...
Finite dipolar hexagonal columns on piled layers of triangular lattice
International Nuclear Information System (INIS)
Matsushita, Katsuyoshi; Sugano, Ryoko; Kuroda, Akiyoshi; Tomita, Yusuke; Takayama, Hajime
2007-01-01
We have investigated, by the Monte Carlo simulation, spin systems which represent moments of arrayed magnetic nanoparticles interacting with each other only by the dipole-dipole interaction. In the present paper we aim the understanding of finite size effects on the magnetic nanoparticles arrayed in hexagonal columns cut out from the close-packing structures or from those with uniaxial compression. In columns with the genuine close-packing structures, we observe a single vortex state which is also observed previously in finite two-dimensional systems. On the other hand in the system with the inter-layer distance set 1/2 times of the close-packing one, we found ground states which depend on the number of layers. The dependence is induced by a finite size effect and is related to a orientation transition in the corresponding bulk system
Anisotropic semivortices in dipolar spinor condensates controlled by Zeeman splitting
Liao, Bingjin; Li, Shoubo; Huang, Chunqing; Luo, Zhihuan; Pang, Wei; Tan, Haishu; Malomed, Boris A.; Li, Yongyao
2017-10-01
Spatially anisotropic solitary vortices, i.e., bright anisotropic vortex solitons (AVSs), supported by anisotropic dipole-dipole interactions, were recently predicted in spin-orbit-coupled binary Bose-Einstein condensates (BECs), in the form of two-dimensional semivortices (complexes built of zero-vorticity and vortical components). We demonstrate that the shape of the AVSs—horizontal or vertical, with respect to the in-plane polarization of the atomic dipole moments in the underlying BEC—may be effectively controlled by the strength Ω of the Zeeman splitting (ZS). A transition from the horizontal to vertical shape with the increase of Ω is found numerically and explained analytically. At the transition point, the AVS assumes the shape of an elliptical ring. The mobility of horizontal AVSs is studied, too, with the conclusion that, with the increase of Ω , their negative effective mass changes the sign to positive via a point at which the effective mass diverges. Lastly, we report a new species of inverted AVSs, with the zero-vorticity and vortex component placed in lower- and higher-energy components, as defined by the ZS. They are excited states, with respect to the ground states provided by the usual AVSs. Quite surprisingly, inverted AVSs are stable in a large parameter region.
Simulation of a directed random-walk model: the effect of pseudo-random-number correlations
Shchur, L. N.; Heringa, J. R.; Blöte, H. W. J.
1996-01-01
We investigate the mechanism that leads to systematic deviations in cluster Monte Carlo simulations when correlated pseudo-random numbers are used. We present a simple model, which enables an analysis of the effects due to correlations in several types of pseudo-random-number sequences. This model provides qualitative understanding of the bias mechanism in a class of cluster Monte Carlo algorithms.
Effects of wave function correlations on scaling violation in quasi-free electron scattering
International Nuclear Information System (INIS)
Tornow, V.; Drechsel, D.; Orlandini, G.; Traini, M.
1981-01-01
The scaling law in quasi-free electron scattering is broken due to the existence of exchange forces, leading to a finite mean value of the scaling variable anti y. This effect is considerably increased by wave function correlations, in particular by tensor correlations, similar to the case of the photonuclear enhancement factor k. (orig.)
Flow-induced correlation effects within a linear chain in a polymer melt
Stepanyan, R.; Slot, J.J.M.; Molenaar, J.; Tchesnokov, M.A.
2005-01-01
A framework for a consistent description of the flow-induced correlation effects within a linear polymer chain in a melt is proposed. The formalism shows how correlations between chain segments in the flow can be incorporated into a hierarchy of distribution functions for tangent vectors. The
Effects of correlation in transition radiation of super-short electron bunches
Danilova, D. K.; Tishchenko, A. A.; Strikhanov, M. N.
2017-07-01
The effect of correlations between electrons in transition radiation is investigated. The correlation function is obtained with help of the approach similar to the Debye-Hückel theory. The corrections due to correlations are estimated to be near 2-3% for the parameters of future projects SINBAD and FLUTE for bunches with extremely small lengths (∼1-10 fs). For the bunches with number of electrons about ∼ 2.5 ∗1010 and more, and short enough that the radiation would be coherent, the corrections due to correlations are predicted to reach 20%.
Electron-ion correlation effects in ion-atom single ionization
Energy Technology Data Exchange (ETDEWEB)
Colavecchia, F.D.; Garibotti, C.R. [Centro Atomico Bariloche and Consejo Nacional de Investigaciones Cientificas y Tecnicas, 8400 San Carlos de Bariloche (Argentina); Gasaneo, G. [Departamento de Fisica, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahia Blanca (Argentina)
2000-06-28
We study the effect of electron-ion correlation in single ionization processes of atoms by ion impact. We present a distorted wave model where the final state is represented by a correlated function solution of a non-separable three-body continuum Hamiltonian, that includes electron-ion correlation as coupling terms of the wave equation. A comparison of the electronic differential cross sections computed with this model with other theories and experimental data reveals that the influence of the electron-ion correlation is more significant for low energy emitted electrons. (author). Letter-to-the-editor.
Off-equatorial current-driven instabilities ahead of approaching dipolarization fronts
Zhang, Xu; Angelopoulos, V.; Pritchett, P. L.; Liu, Jiang
2017-05-01
Recent kinetic simulations have revealed that electromagnetic instabilities near the ion gyrofrequency and slightly away from the equatorial plane can be driven by a current parallel to the magnetic field prior to the arrival of dipolarization fronts. Such instabilities are important because of their potential contribution to global electromagnetic energy conversion near dipolarization fronts. Of the several instabilities that may be consistent with such waves, the most notable are the current-driven electromagnetic ion cyclotron instability and the current-driven kink-like instability. To confirm the existence and characteristics of these instabilities, we used observations by two Time History of Events and Macroscale Interactions during Substorms satellites, one near the neutral sheet observing dipolarization fronts and the other at the boundary layer observing precursor waves and currents. We found that such instabilities with monochromatic signatures are rare, but one of the few cases was selected for further study. Two different instabilities, one at about 0.3 Hz and the other at a much lower frequency, 0.02 Hz, were seen in the data from the off-equatorial spacecraft. A parallel current attributed to an electron beam coexisted with the waves. Our instability analysis attributes the higher-frequency instability to a current-driven ion cyclotron instability and the lower frequency instability to a kink-like instability. The current-driven kink-like instability we observed is consistent with the instabilities observed in the simulation. We suggest that the currents needed to excite these low-frequency instabilities are so intense that the associated electron beams are easily thermalized and hence difficult to observe.
Bound states of Dipolar Bosons in One-dimensional Systems
DEFF Research Database (Denmark)
G. Volosniev, A.; R. Armstrong, J.; V. Fedorov, D.
2013-01-01
that in the weakly-coupled limit the inter-tube interaction is similar to a zero-range term with a suitable rescaled strength. This allows us to address the corresponding many-body physics of the system by constructing a model where bound chains with one molecule in each tube are the effective degrees of freedom......We consider one-dimensional tubes containing bosonic polar molecules. The long-range dipole-dipole interactions act both within a single tube and between different tubes. We consider arbitrary values of the externally aligned dipole moments with respect to the symmetry axis of the tubes. The few....... This model can be mapped onto one-dimensional Hamiltonians for which exact solutions are known....
Photon beam polarization and non-dipolar angular distributions
International Nuclear Information System (INIS)
Peshkin, M.
1996-01-01
Angular distributions of ejecta from unoriented atoms and molecules depend upon the polarization state of the incident x-rays as well as upon the dynamics of the physical systems being studied. I recommend a simple geometrical way of looking at the polarization and its effects upon angular distributions. The polarization is represented as a vector in a parameter space that faithfully represents the polarization of the beam. The simple dependence of the angular dependence of the angular distributions on the polarization vector enables easy extraction of the dynamical information contained in those angular distributions. No new physical results emerge from this geometrical approach, but known consequences of the symmetries appear in an easily visualized form that I find pleasing and that has proved to be useful for planning experiments and for analyzing data
On the effect of correlated measurements on the performance of distributed estimation
Ahmed, Mohammed
2013-06-01
We address the distributed estimation of an unknown scalar parameter in Wireless Sensor Networks (WSNs). Sensor nodes transmit their noisy observations over multiple access channel to a Fusion Center (FC) that reconstructs the source parameter. The received signal is corrupted by noise and channel fading, so that the FC objective is to minimize the Mean-Square Error (MSE) of the estimate. In this paper, we assume sensor node observations to be correlated with the source signal and correlated with each other as well. The correlation coefficient between two observations is exponentially decaying with the distance separation. The effect of the distance-based correlation on the estimation quality is demonstrated and compared with the case of unity correlated observations. Moreover, a closed-form expression for the outage probability is derived and its dependency on the correlation coefficients is investigated. Numerical simulations are provided to verify our analytic results. © 2013 IEEE.
Fluctuation-dissipation theorem in an isolated system of quantum dipolar bosons after a quench.
Khatami, Ehsan; Pupillo, Guido; Srednicki, Mark; Rigol, Marcos
2013-08-02
We examine the validity of fluctuation-dissipation relations in isolated quantum systems taken out of equilibrium by a sudden quench. We focus on the dynamics of trapped hard-core bosons in one-dimensional lattices with dipolar interactions whose strength is changed during the quench. We find indications that fluctuation-dissipation relations hold if the system is nonintegrable after the quench, as well as if it is integrable after the quench if the initial state is an equilibrium state of a nonintegrable Hamiltonian. On the other hand, we find indications that they fail if the system is integrable both before and after quenching.
Synthesis and 1,3-Dipolar Cycloaddition Reactions of Chiral Maleimides
Directory of Open Access Journals (Sweden)
Lubor Fisera
1997-02-01
Full Text Available New routes to the synthesis of various novel chiral maleimides are described. The oxabicyclic anhydride 2 readily available exo-Diels-Alder adduct of furan and maleic anhydride was used as a vehicle, which in turn reacted with hydrochlorides of amino acids 3a-f in the presence of Et3N with release of furan to give the requisite novel chiral imides 4a-f in good to moderate yields. The stereoselectivity of 1,3-dipolar cycloaddition of nitrile oxides with prepared chiral imides 4a-f is investigated.
Directory of Open Access Journals (Sweden)
Wilson Silva do Nascimento
2010-04-01
Full Text Available Naphthoquinones are known according to their important bio-activities, such as their antitumoral and topoisomerase inhibition properties. From 2-azido (3 or 2,3-diacetylene-1,4-naphthoquinone (4 it was possible to obtain triazole derivatives (naphthoquinonic. This work describes the synthesis of two novel molecules, with triazole groups linked to 1,4-naphthoquinone using the 1,3-dipolar cycloaddition and Sonogashira reactions. The synthetic strategy followed two routes (Scheme 1. First, we synthesized the 2-bromo-1,4-naphthoquinone (2, yield 98% by using Br2 and CH3CO2H, and then used it to obtain 2-azido-1,4-naphthoquinone (3, yield 62% from compound 1, along with ethanolic solution (reflux and NaN3. Finally, we prepared 1,2,3-triazole compounds (4a, b by 1,3-dipolar cycloaddition, involving compound (3 and terminal acetylenes (phenylacetylene, a and glycoside (b using Cu(OAc2 and ascorbate, under argon atmosphere. During the second step, 2,3-dibromo-1,4-naphthoquinone was prepared using Br2/CH2Cl2 at room temperature. From compound (5 it was possible to synthesize (6, catalyzed by Pd(PPh32Cl2/CuI/Et3N, under argon atmosphere, in 40% yield. The 1,3-dipolar cycloaddition reactions involving 2-azido-1,4-naphthoquinone (3 and alkynes (a, yield 23% and b, yield 30% were conducted using the solvent system, (1:1 terc-BuOH/H2O/r.t/ 20 mol% of Cu(OAc2 and sodium ascorbate, under stirring during 24 hours. The reaction involving 2,3-dibromo-1,4-naphthoquinone (5, yield 65% and phenylacetylene was prepared using the solvent mixture (2:1 DMSO/CHCl3 and catalytic amount of CuI/Pd(PPh32Cl2. The final products were characterized by elemental analysis and spectrometric techniques (IR, NMR 1H and 13C. Two novel triazole compounds were synthesized from naphthoquinones by 1,3-dipolar cycloaddition from suitable 1,4-naphthoquinones obtained by Sonogashira couplings.
Triazol-substituted titanocenes by strain-driven 1,3-dipolar cycloadditions
Directory of Open Access Journals (Sweden)
Andreas Gansäuer
2014-07-01
Full Text Available An operationally simple, convenient, and mild strategy for the synthesis of triazole-substituted titanocenes via strain-driven 1,3-dipolar cycloadditions between azide-functionalized titanocenes and cyclooctyne has been developed. It features the first synthesis of titanocenes containing azide groups. These compounds constitute ‘second-generation’ functionalized titanocene building blocks for further synthetic elaboration. Our synthesis is modular and large numbers of the complexes can in principle be prepared in short periods of time. Some of the triazole-substituted titanocenes display high cyctotoxic activity against BJAB cells. Comparison of the most active complexes allows the identification of structural features essential for biological activity.
Characteristics of ion distribution functions in dipolarizing flux bundles: Event studies
Runov, A.; Angelopoulos, V.; Artemyev, A.; Birn, J.; Pritchett, P. L.; Zhou, X.-Z.
2017-06-01
Taking advantage of multipoint observations from a repeating configuration of the five Time History of Events and Macroscale Interactions during Substorms (THEMIS) probes separated by 1 to 2 Earth radii (RE) along X, Y, and Z in the geocentric solar magnetospheric system (GSM), we study ion distribution functions collected by the probes during three dipolarizing flux bundle (DFB) events observed at geocentric distances 9 energy and twice the thermal energy, although the distribution in the ambient plasma sheet was isotropic. The anisotropic ion distribution in DFBs injected toward the inner magnetosphere may provide the free energy for waves and instabilities, which are important elements of particle energization.
International Nuclear Information System (INIS)
Barrientos, Laura G.; Dolan, Caroline; Gronenborn, Angela M.
2000-01-01
Media employed for imparting partial alignment onto solute molecules have recently attracted considerable attention, since they permit the measurement of NMR parameters for solute biomolecules commonly associated with solid state NMR. Here we characterize a medium which is based on a quasi-ternary surfactant system comprising cetylpyridinium bromide/hexanol/sodium bromide. We demonstrate that dilute solutions of this system can exist in liquid crystalline phases which orient in the magnetic field and allow the measurement of residual dipolar couplings under a variety of conditions. The present system is extremely versatile and robust, tolerating different buffer conditions, temperature ranges and concentrations
Dipolar oscillations in a quantum degenerate Fermi-Bose atomic mixture
International Nuclear Information System (INIS)
Ferlaino, F; Brecha, R J; Hannaford, P; Riboli, F; Roati, G; Modugno, G; Inguscio, M
2003-01-01
We study the dynamics of coupled dipolar oscillations in a Fermi-Bose mixture of 40 K and 87 Rb atoms. This low-energy collective mode is strongly affected by the interspecies interactions. Measurements are performed in the classical and quantum degenerate regimes and reveal the crucial role of the statistical properties of the mixture. At the onset of quantum degeneracy, we investigate the role of Pauli blocking and superfluidity for K and Rb atoms, respectively, resulting in a change in the collisional interactions
New fluorescent dipolar pyrazine derivatives for non-doped red organic light-emitting diodes
International Nuclear Information System (INIS)
Gao Baoxiang; Zhou Quanguo; Geng Yanhou; Cheng Yanxiang; Ma Dongge; Xie Zhiyuan; Wang Lixiang; Wang Fosong
2006-01-01
Dipolar fluorescent compounds containing electron-accepting pyrazine-2,3-dicarbonitrile and electron-donating arylamine moiety have been designed and synthesized. The optical and electrochemical properties of these compounds can be adjusted by changing π-bridge length and the donor (D) strength. Organic light-emitting devices based on these compounds are fabricated. Saturated red emission of (0.67, 0.33) and the external quantum efficiency as high as 1.41% have been demonstrated for one of these compounds
Effects of magnetic correlation on the electric properties in multiferroic materials
International Nuclear Information System (INIS)
Zhai, Liang-Jun; Wang, Huai-Yu
2015-01-01
The effects of magnetic correlation on the electric properties in the multiferroic materials are studied, where the phase transition temperature of the magnetic subsystem T m is lower than that of the electric subsystem T e . A Heisenberg-type Hamiltonian and a transverse Ising model are employed to describe the ferromagnetic and ferroelectric subsystems, respectively. We find that the magnetic correlation can influence the electric properties above the T m , and magnetic transverse and longitudinal correlations have opposite functions. In the curves of temperature dependence of polarization, kinks appear at T m which is dominated by the sharp change of decreasing rate of the magnetic correlation. The kinks can be eliminated by an external magnetic field. The magnetic transverse and longitudinal correlations play contrary roles on the manipulation of polarization by the external magnetic field. - Highlights: • Both magnetic longitudinal and transverse correlations can influence the electric subsystem through magnetoelectric (ME) coupling at any temperature. • The magnetic longitudinal and transverse correlations have contrary effects in influencing the phase transition temperature of electric subsystem. • The electric phase transition temperature decrease with the ME coupling strength, while it was not so by mean-field theory. • An external field can make the influence smoother around the transition point, and can enhance the electric polarization. • Magnetic longitudinal and transverse correlations have contrary effects on the manipulation of polarization by magnetic field at temperature above the magnetic phase transition point
Electrostatic Screening and Charge Correlation Effects in Micellization of Ionic Surfactants
Jusufi, Arben; Hynninen, Antti-Pekka; Haataja, Mikko; Panagiotopoulos, Athanassios Z.
2009-01-01
We have used atomistic simulations to study the role of electrostatic screening and charge correlation effects in self-assembly processes of ionic surfactants into micelles. Specifically, we employed grand canonical Monte Carlo simulations
International Nuclear Information System (INIS)
Furrer, Julien; John, Michael; Kessler, Horst; Luy, Burkhard
2007-01-01
The access to weak alignment media has fuelled the development of methods for efficiently and accurately measuring residual dipolar couplings (RDCs) in NMR-spectroscopy. Among the wealth of approaches for determining one-bond scalar and RDC constants only J-modulated and J-evolved techniques retain maximum resolution in the presence of differential relaxation. In this article, a number of J-evolved experiments are examined with respect to the achievable minimum linewidth in the J-dimension, using the peptide PA 4 and the 80-amino-acid-protein Saposin C as model systems. With the JE-N-BIRD d,X -HSQC experiment, the average full-width at half height could be reduced to approximately 5 Hz for the protein, which allows the additional resolution of otherwise unresolved peaks by the active (J+D)-coupling. Since RDCs generally can be scaled by the choice of alignment medium and alignment strength, the technique introduced here provides an effective resort in cases when chemical shift differences alone are insufficient for discriminating signals. In favorable cases even secondary structure elements can be distinguished
Residual dipolar couplings in sup 3 sup 1 P MAS spectra of PPh sub 3 substituted cobalt complexes
Szalontai, G
2002-01-01
Residual dipolar couplings between sup 3 sup 1 P- sup 5 sup 9 Co spin pairs were studied in sup 3 sup 1 P MAS spectra of mono- and dinuclear cobalt-triphenylphosphine complexes. These spectra can provide important information such as the scalar coupling between the dipolar phosphorus and the quadrupolar cobalt nuclei normally not available from solution phase studies. In case of complementary (NQR or x-ray) data even the relative orientation of the interacting shielding, dipolar, scalar couplings, and electric field gradient tensors or internuclear distances can be determined. Examples are shown both for well resolved and practically unresolved cases, factors which possibly control the spectral resolution are discussed in detail. (author)
Ebadifard Azar, Farbod; Sarabi Asiabar, Ali
2015-01-01
Effective leadership is essential to passing through obstacles facing the health field.The current health care system in Iran has major problems and gaps in the field of effective leadership. The aim of this study was to evaluate hospital managers' leadership style through selfassessment and to determine the correlation between leadership styles with healthcare executives' leadership readiness and leadership effectiveness. In this cross-sectional study a self-administered questionnaire completed by all internal healthcare executives of all teaching and non-teaching hospitals affiliated to Iran University of Medical Sciences. Questionnaire was composed to determine demographic information, leadership style questions, leadership effectiveness and leadership readiness. Descriptive statistics and Pearson correlation coefficient were used for data analysis. According to the findings, the dominant style of healthcare executives was transformational leadership style (with a score of 4.34). The leadership effectiveness was estimated at about 4.36 that shows the appropriate level of leadership effectiveness. There was a significant correlation (correlation coefficient of 0.244) between leadership readiness and transformational leadership style (pleadership effectiveness with transformational (0.051) and transactional (0.216) styles. There was a correlation between leadership readiness and leadership effectiveness with leadership styles. Application of this research will be crucial to universities and healthcare executives. This study suggests that strengthening the scientific basis is essential for leadership readiness and leadership effectiveness in healthcare system.
Extreme electron correlation effects on the electric properties of atomic anions
International Nuclear Information System (INIS)
Canuto, S.
1994-01-01
The contribution of the electron correlation effects to the calculated dipole polarizability and hyper-polarizability of the first-row atomic anions is calculated and analyzed. It is shown that the total correlation contribution to the dipole hyperpolarizability is extremely large with the Hartree-Fock model accounting for only a small fraction of the accurate result. The linear and, more pronounced, the nonlinear response of atomic anions to the application of an electric field emphatically shows the effects of the correlated motion of the electrons
Electron correlation effects on geometries and 19F shieldings of fluorobenzenes
International Nuclear Information System (INIS)
Webb, G.A.; Karadakov, P.B.; England, J.A.
2000-01-01
In order to include the effects of electron correlation in ab initio molecular orbital calculations it is necessary to go beyond the single determinant Hartree-Fock (HF) level of theory. In the present investigation the influences of both dynamic and non-dynamic correlation effects on the optimised geometries and 19 F nuclear shielding calculations of the twelve fluorobenzenes are reported.The non-dynamic electron correlation effects are represented by complete-active space self-consistent field (CASSCF) calculations. Second- and fourth-order Moller-Plesset (MP2 and MP4) calculations are used to describe the dynamic electron correlation effects. Some density-functional (DFT) results are also reported which do not distinguish between dynamic and non-dynamic electron correlation. Following the correlated geometry optimisations 19 F nuclear shielding calculations were performed using the gauge-included atomic orbitals (GIAO) procedure, these were undertaken with wave functions which include various levels of electron correlation including HF, CASSCF and MP2. For the calculations of the optimised geometries, and some of the nuclear shieldings the 6-13G** basis set s used whereas the locally-dense [6-13G** on C and H and 6-311++G(2d,2p) on F] set is used for some of the shielding calculations. A comparison of the results of HF shielding calculations using other basis sets is included. Comparison of the calculated geometry and shielding results with relevant, reported, experimental data is made. (author)
Smolders, K.C.H.J.; de Kort, Y.A.W.
Research in the late evening and at night has shown that acute activating effects of light are particularly sensitive to short-wavelength light. Yet, findings on such effects during daytime are still inconclusive. This study (N=39) investigated effects of correlated colour temperature (CCT; 2700 K
International Nuclear Information System (INIS)
Benova, E.; Ghanashev, I.; Zhelyazkov, I.
1992-01-01
The modelling of isotropic plasma columns sustained by travelling electromagnetic waves in the dipolar mode (angular dependence exp imφ, m=±1) shows that the m=±1 modes have identical dispersion characteristics. In the presence of an external static magnetic field, however, the modes behave rather differently. This observation arose in studying the axial structures of magnetized plasma columns surrounded by vacuum and produced by travelling electromagnetic waves in the dipolar modes. We examine the propagation of electromagnetic waves along a homogeneous cold plasma column of radius R and electron number density n immersed in an axial constant magnetic field. (author) 3 refs., 3 figs
Energy conversion and dissipation at dipolarization fronts: Theory, modeling and MMS observations
Sitnov, M. I.; Motoba, T.; Merkin, V. G.; Ohtani, S.; Cohen, I. J.; Mauk, B.; Vines, S. K.; Anderson, B. J.; Moore, T. E.; Torbert, R. B.; Giles, B. L.; Burch, J. L.
2017-12-01
Magnetic reconnection is one of the most important energy conversion mechanisms in space plasmas. In the classical picture it converts the energy of antiparallel magnetic fields into the kinetic and thermal energy of accelerated plasma particles in reconnection exhausts. It also involves energy dissipation near the X-line. This classical picture may be substantially modified in real space plasma configurations, such as the dayside magnetopause and the magnetotail. In particular, in the magnetotail the flows of accelerated particles may be strongly asymmetric along the tail with the domination of earthward flows. At the same time, strong energy conversion and even dissipation may occur away from the X-line, in particular, at dipolarization fronts. Here we present a theoretical picture of spontaneous magnetotail reconnection based on 3-D PIC simulations with the focus on plasma bulk flows, energy conversion and dissipation. This picture is compared with some observations from the MMS tail season. An important finding from these observations is that dipolarizations fronts may not only be regions of the total energy conversion with jE>0, but they may also be the sites of energy dissipation, both positive (jE'>0, E' is the electric field E in the system moving with one of the plasma species) and negative (jE'braking).
Dipolar flow theory of the universe in relation to astronomical observations and universe axis
International Nuclear Information System (INIS)
Mullick, U.P.
1975-01-01
An attempt has been made to establish Dipolar continuous flow theory of the universe through corroborations from astronomical observations of the positions of nebulae made earlier by astronomers. It is shown that the line through groups of nebulae in Nubecula Major in Southern Sky Region 5, passing through Earth points towards the near side pole A of the universe. Also the angles the plane parallel to universe polar plane x-x and passing through Earth, makes with the Milky Way disc is about 70 0 towards universe pole B, and about 110 0 towards nearside universe pole A. It is also shown that the two nebulae M 31 and M 33 and the groups of nebulae in Megallenic clouds, in Nebecula Major are between planes passing through universe equatorial axis y-y and plant Ysub(E)-Ysub(E) passing through Earth and parallel to universe equatorial plane Y-Y. Besides, the huge red star Betelgeux and the great Nebula in Orion in sky Region 9 are also between these two planes. These observations the author claims accord with his Dipolar Theory. (author)
Characteristics of high-latitude precursor flows ahead of dipolarization fronts
Li, Jia-Zheng; Zhou, Xu-Zhi; Runov, Andrei; Angelopoulos, Vassilis; Liu, Jiang; Pan, Dong-Xiao; Zong, Qiu-Gang
2017-05-01
Dipolarization fronts (DFs), earthward propagating structures in the magnetotail current sheet characterized by sharp enhancements of northward magnetic field, are capable of converting electromagnetic energy into particle kinetic energy. The ions previously accelerated and reflected at the DFs can contribute to plasma flows ahead of the fronts, which have been identified as DF precursor flows in both the near-equatorial plasma sheet and far from it, near the plasma sheet boundary. Using observations from the THEMIS (Time History of Events and Macroscale Interactions during Substorms) spacecraft, we show that the earthward particle and energy flux enhancements ahead of DFs are statistically larger farther away from the neutral sheet (at high latitudes) than in the near-equatorial region. High-latitude particle and energy fluxes on the DF dawnside are found to be significantly greater than those on the duskside, which is opposite to the dawn-dusk asymmetries previously found near the equatorial region. Using forward and backward tracing test-particle simulations, we then explain and reproduce the observed latitude-dependent characteristics of DF precursor flows, providing a better understanding of ion dynamics associated with dipolarization fronts.
Supra Arcade Downflows with XRT Informed by Dipolarization Fronts with THEMIS
Kobelski, Adam; Savage, Sabrina L.; Malaspina, David M.
2016-01-01
Magnetic reconnection can rapidly reconfigure the magnetic field of the corona, accelerating plasma through the site of reconnection. Ambiguities due to the nature of remote sensing have complicated the interpretation of observations of the inflowing and outflowing plasma in reconnecting regions. In particular, the interpretation of sunward moving density depletions above flare arcades (known as Supra Arcade Downflows - SADs) is still debated. Hinode/XRT has provided a wealth of observations for SADs and helped inform our current understanding of these structures. SADs have been interpreted as wakes behind newly reconnected and outflowing loops (Supra Arcade Downflowing Loops - SADLs). Models have shown the plausibility of this interpretation, though this interpretation has not yet been fully accepted. We present here observations of newly reconnected outflowing loops observed via in situ instruments in the magnetosphere. These observations, provided by five THEMIS spacecraft, show that around retracting loops (dipolarization fronts in this context) similar dynamic temperature and density structures are found as seen in SADs. We compare data from multiple SADs and dipolarization fronts to show that the observational signatures implied in the corona can be directly observed in similar plasma regimes in the magnetosphere, strongly favoring the interpretation of SADs as wakes behind retracting loops.
Effects of strong and electromagnetic correlations on neutrino interactions in dense matter
International Nuclear Information System (INIS)
Reddy, S.; Prakash, M.; Lattimer, J.M.; Reddy, S.; Pons, J.A.
1999-01-01
An extensive study of the effects of correlations on both charged and neutral current weak interaction rates in dense matter is performed. Both strong and electromagnetic correlations are considered. The propagation of particle-hole interactions in the medium plays an important role in determining the neutrino mean free paths. The effects due to Pauli blocking and density, spin, and isospin correlations in the medium significantly reduce the neutrino cross sections. As a result of the lack of experimental information at high density, these correlations are necessarily model dependent. For example, spin correlations in nonrelativistic models are found to lead to larger suppressions of neutrino cross sections compared to those of relativistic models. This is due to the tendency of the nonrelativistic models to develop spin instabilities. Notwithstanding the above caveats, and the differences between nonrelativistic and relativistic approaches such as the spin- and isospin-dependent interactions and the nucleon effective masses, suppressions of order 2 - 3, relative to the case in which correlations are ignored, are obtained. Neutrino interactions in dense matter are especially important for supernova and early neutron star evolution calculations. The effects of correlations for protoneutron star evolution are calculated. Large effects on the internal thermodynamic properties of protoneutron stars, such as the temperature, are found. These translate into significant early enhancements in the emitted neutrino energies and fluxes, especially after a few seconds. At late times, beyond about 10 s, the emitted neutrino fluxes decrease more rapidly compared to simulations without the effects of correlations, due to the more rapid onset of neutrino transparency in the protoneutron star. copyright 1999 The American Physical Society
Directory of Open Access Journals (Sweden)
Sofia Nora
Full Text Available Anthropogenic habitat deterioration can promote changes in plant mating systems that subsequently may affect progeny performance, thereby conditioning plant recruitment for the next generation. However, very few studies yet tested mating system parameters other than outcrossing rates; and the direct effects of the genetic diversity of the pollen received by maternal plants (i.e. correlated paternity has often been overlooked. In this study, we investigated the relation between correlated paternity and progeny performance in two common Mediterranean shrubs, Myrtus communis and Pistacia lentiscus. To do so, we collected open-pollinated progeny from selected maternal plants, calculated mating system parameters using microsatellite genotyping and conducted sowing experiments under greenhouse and field conditions. Our results showed that some progeny fitness components were negatively affected by the high correlated paternity of maternal plants. In Myrtus communis, high correlated paternity had a negative effect on the proportion and timing of seedling emergence in the natural field conditions and in the greenhouse sowing experiment, respectively. In Pistacia lentiscus, seedling emergence time under field conditions was also negatively influenced by high correlated paternity and a progeny survival analysis in the field experiment showed greater mortality of seedlings from maternal plants with high correlated paternity. Overall, we found effects of correlated paternity on the progeny performance of Myrtus communis, a self-compatible species. Further, we also detected effects of correlated paternity on the progeny emergence time and survival in Pistacia lentiscus, an obligate outcrossed species. This study represents one of the few existing empirical examples which highlight the influence that correlated paternity may exert on progeny performance in multiple stages during early seedling growth.
Effects of nucleon correlations in (p,d), (e, e sup ' p) and (gamma, p) reactions
Gaidarov, M K; Antonov, A
2002-01-01
A study of the nucleon correlation effects on the one-nucleon removal reactions in closed- as well as open-shell nuclei is performed. Correlated quasi-hole overlap functions are used, extracted from the asymptotic behaviour of the one-body density matrices containing different types of nucleon correlations. The corresponding spectroscopic factors calculated within this approach are reduced with respect to the shell model predictions in a way that reflects the role of the correlations included in different methods. The resulting bound-state overlap functions are applied to calculate the cross sections of (e, e sup ' p), (gamma, p) and (p, d) reactions on the same theoretical footing. The theoretical results are generally successful to reproduce the shape of the experimental cross sections. Thus this study clarifies the importance of various types of correlations, which are accounted for to a different extent in the theoretical methods considered, on the reaction cross sections
Kong, Lingyue; Zhang, John X; Zhang, Yongwei
2016-08-01
The present study used an online grammaticality judgment task to examine whether Chinese discontinuous correlative conjunctions are psychologically real in mental lexicon. High- and low-frequency discontinuous correlative conjunctions were compared with random combinations differing in combination frequencies but matched for constituent word frequency. Forty graduate students participated in the study. Results showed that responses were faster and more accurate for high-frequency correlative conjunctions than low-frequency ones, but the effects were absent for random combinations. The results indicate that Chinese discontinuous correlative conjunctions have psychological reality in mental lexicon in addition to the representation of their constituent words, and that grammatical functions of correlative conjunctions may be a critical factor for the formation of such holistic representations. © The Author(s) 2016.
Recent improvements in size effects correlations for DBTT and upper shelf energy of ferritic steels
International Nuclear Information System (INIS)
Kumar, A.S.; Louden, B.S.; Garner, F.A.; Hamilton, M.L.
1992-01-01
Currently available correlations for the effects of specimen size on the USE were developed for relatively ductile steels and will not serve as well when the steels become embrittled. Size effects correlations were developed recently for the impact properties of less ductile HT9 to be applied to other initially more ductile steels as they lose their ductility during irradiation. These new correlations successfully predict the ductile brittle transition temperature (DBTT) and the upper shelf energy (USE) of full size Charpy specimens based on subsize specimen data. The new DBTT and the USE correlations were tested against published experimental data on other ferritic steels and shown to perform successfully at lower USE particularly when both precracked and notched only specimens were employed
Effect of spatially correlated noise on coherence resonance in a network of excitable cells
International Nuclear Information System (INIS)
Kwon, Okyu; Jo, Hang-Hyun; Moon, Hie-Tae
2005-01-01
We study the effect of spatially correlated noise on coherence resonance (CR) in a Watts-Strogatz small-world network of Fitz Hugh-Nagumo neurons, where the noise correlation decays exponentially with distance between neurons. It is found that CR is considerably improved just by a small fraction of long-range connections for an intermediate coupling strength. For other coupling strengths, an abrupt change in CR occurs following the drastic fracture of the clustered structures in the network. Our study shows that spatially correlated noise plays a significant role in the phenomenon of CR reinforcing the role of the clustered structure of the system
Observation of Noise Correlated by the Hawking Effect in a Water Tank.
Euvé, L-P; Michel, F; Parentani, R; Philbin, T G; Rousseaux, G
2016-09-16
We measured the power spectrum and two-point correlation function for the randomly fluctuating free surface on the downstream side of a stationary flow with a maximum Froude number F_{max}≈0.85 reached above a localized obstacle. On such a flow the scattering of incident long wavelength modes is analogous to that responsible for black hole radiation (the Hawking effect). Our measurements of the noise show a clear correlation between pairs of modes of opposite energies. We also measure the scattering coefficients by applying the same analysis of correlations to waves produced by a wave maker.
Gu, Huaying; Liu, Zhixue; Weng, Yingliang
2017-04-01
The present study applies the multivariate generalized autoregressive conditional heteroscedasticity (MGARCH) with spatial effects approach for the analysis of the time-varying conditional correlations and contagion effects among global real estate markets. A distinguishing feature of the proposed model is that it can simultaneously capture the spatial interactions and the dynamic conditional correlations compared with the traditional MGARCH models. Results reveal that the estimated dynamic conditional correlations have exhibited significant increases during the global financial crisis from 2007 to 2009, thereby suggesting contagion effects among global real estate markets. The analysis further indicates that the returns of the regional real estate markets that are in close geographic and economic proximities exhibit strong co-movement. In addition, evidence of significantly positive leverage effects in global real estate markets is also determined. The findings have significant implications on global portfolio diversification opportunities and risk management practices.
Steady State Entanglement and Saturation Effects in Correlated Spontaneous Emission Lasers
International Nuclear Information System (INIS)
Fei, Wang; Xiang-Ming, Hu; Wen-Xing, Shi
2009-01-01
It has recently been shown that correlated spontaneous emission lasers (CEL) exhibit transient entanglement in the linear regime. Here we re-examine the quantum correlations in two-photon CEL and explore the saturation effects on continuous variable entanglement. It is shown that the steady state entanglement is obtainable in the weak or moderate saturation regime, while is washed out in the deep saturation regime. (general)
Impact of exchange-correlation effects on the IV characteristics of a molecular junction
DEFF Research Database (Denmark)
Thygesen, Kristian Sommer
2008-01-01
The role of exchange-correlation effects in nonequilibrium quantum transport through molecular junctions is assessed by analyzing the IV curve of a generic two-level model using self-consistent many-body perturbation theory (second Born and GW approximations) on the Keldysh contour. It is demonst...... of dynamic correlations introduces quasiparticle (QP) scattering which in turn broadens the molecular resonances. The broadening increases strongly with bias and can have a large impact on the calculated IV characteristic....
Xu, Yinlin; Ma, Qianli D.Y.; Schmitt, Daniel T.; Bernaola-Galván, Pedro; Ivanov, Plamen Ch.
2011-01-01
We investigate how various coarse-graining methods affect the scaling properties of long-range power-law correlated and anti-correlated signals, quantified by the detrended fluctuation analysis. Specifically, for coarse-graining in the magnitude of a signal, we consider (i) the Floor, (ii) the Symmetry and (iii) the Centro-Symmetry coarse-graining methods. We find, that for anti-correlated signals coarse-graining in the magnitude leads to a crossover to random behavior at large scales, and th...
On the effect of velocity gradients on the depth of correlation in μPIV
Mustin, B.; Stoeber, B.
2016-03-01
The present work revisits the effect of velocity gradients on the depth of the measurement volume (depth of correlation) in microscopic particle image velocimetry (μPIV). General relations between the μPIV weighting functions and the local correlation function are derived from the original definition of the weighting functions. These relations are used to investigate under which circumstances the weighting functions are related to the curvature of the local correlation function. Furthermore, this work proposes a modified definition of the depth of correlation that leads to more realistic results than previous definitions for the case when flow gradients are taken into account. Dimensionless parameters suitable to describe the effect of velocity gradients on μPIV cross correlation are derived and visual interpretations of these parameters are proposed. We then investigate the effect of the dimensionless parameters on the weighting functions and the depth of correlation for different flow fields with spatially constant flow gradients and with spatially varying gradients. Finally this work demonstrates that the results and dimensionless parameters are not strictly bound to a certain model for particle image intensity distributions but are also meaningful when other models for particle images are used.
On the effect of velocity gradients on the depth of correlation in μPIV
International Nuclear Information System (INIS)
Mustin, B; Stoeber, B
2016-01-01
The present work revisits the effect of velocity gradients on the depth of the measurement volume (depth of correlation) in microscopic particle image velocimetry (μPIV). General relations between the μPIV weighting functions and the local correlation function are derived from the original definition of the weighting functions. These relations are used to investigate under which circumstances the weighting functions are related to the curvature of the local correlation function. Furthermore, this work proposes a modified definition of the depth of correlation that leads to more realistic results than previous definitions for the case when flow gradients are taken into account. Dimensionless parameters suitable to describe the effect of velocity gradients on μPIV cross correlation are derived and visual interpretations of these parameters are proposed. We then investigate the effect of the dimensionless parameters on the weighting functions and the depth of correlation for different flow fields with spatially constant flow gradients and with spatially varying gradients. Finally this work demonstrates that the results and dimensionless parameters are not strictly bound to a certain model for particle image intensity distributions but are also meaningful when other models for particle images are used. (paper)
International Nuclear Information System (INIS)
Haensch, Claudia; Hoeppener, Stephanie; Schubert, Ulrich S
2009-01-01
Electro-oxidative lithography is used as a tool to create chemical nanostructures on an n-octadecyltrichlorosilane (OTS) monolayer self-assembled on silicon. The use of a bromine precursor molecule, which is exclusively assembled on these chemical templates, can be used to further functionalize the nanostructures by the site-selective generation of azide functions and performing the highly effective 1,3-dipolar cycloaddition reaction with acetylene functionalized molecules. The versatility of this reaction scheme provides the potential to integrate a large variety of functional molecules, to tailor the surface properties of the nanostructures or to anchor molecular building blocks or particles in confined, pre-defined surface areas. The results demonstrated in the present study introduce a conceivable route towards the functionalization of chemically active surface templates with high fidelity and reliability. It is demonstrated that surface features with a lateral resolution of 50 nm functionalized with propargyl alcohol can be fabricated.
Asymmetric 1,3-Dipolar Cycloadditions to 5-(R)-Menthyloxy-2(5H)-Furanone
Rispens, Minze T.; Keller, Erik; Lange, Ben de; Zijlstra, Robert W.J.; Feringa, Bernard
Various diazo compounds, nitrile oxides, nitrones and azomethine ylides were examined in 1,3-dipolar cycloadditions to enantiomerically pure 5-(R)-menthyloxy-2(5H)-furanone 1a. Pyrazoline 9 was obtained in 100% c.y. as a mixture of 2 diastereoisomers in ratios up to 72 : 28, whereas pyrazoline 16
Energy Technology Data Exchange (ETDEWEB)
Dorner, B [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France); Baehr, M [HMI, Berlin (Germany); Petitgrand, D [Laboratoire Leon Brillouin (LLB) - Centre d` Etudes de Saclay, 91 - Gif-sur-Yvette (France)
1997-04-01
Using inelastic neutron scattering with polarisation analysis it was possible, for the first time, to observe simultaneously the two magnetic modes split due to dipolar interaction. This would not have been possible with energy resolution only. An analysis of eigenvectors was also performed. (author). 4 refs.
Czech Academy of Sciences Publication Activity Database
Kobr, L.; Zhao, K.; Shen, X.; Shoemaker, R. K.; Rogers, C. T.; Michl, Josef
2013-01-01
Roč. 25, č. 3 (2013), s. 443-448 ISSN 0935-9648 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Grant - others:NSF(US) CHE 0848663 Institutional support: RVO:61388963 Keywords : inclusion compounds * molecular rotors * ferroelectricity * two-dimensional arrays Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 15.409, year: 2013
DEFF Research Database (Denmark)
Jiang, C.; Christensen-Dalsgaard, J.; Cunha, M.
2018-01-01
from the eigenvalue condition for mixed modes as a tool to characterize dipolar mixed modes from the theoretical as well as the practical point of view. Unlike the coupling strength, whose variation in a given star is very small over the relevant frequency range, the phase shifts vary significantly...
International Nuclear Information System (INIS)
Jankowski, K.; Smentek-Mielczarek, L.
1981-01-01
Results of model studies of the impact of electron correlation on the forced electric dipole transition probabilities between states of the 4fsup(N) configuration are reported for the [ 3 P] 0 - [ 3 F] 4 , [ 3 H] 4 transitions in Pr 3+ : LaCl 3 and for [ 7 F] 0 - [ 5 D] 2 , [ 7 F] 1 - [ 5 D] 1 hypersensitive transitions in Eu 3+ : LaCl 3 . For the former system the correlation effects cause a modification of earlier results by 40-95 per cent, whereas for the latter the probability changes by as much as two orders of magnitude. The great changes found in the case of hypersensitive transitions suggest that electron correlation effects may belong to the most important factors determining the nature of these transitions. Several types of effective correlation operators are considered and their relative importance is discussed. The results indicate that intermediate configurations including g orbitals are very important for the description of correlation effects. (author)
The effect of correlated observations on the performance of distributed estimation
Ahmed, Mohammed
2013-12-01
Estimating unknown signal in Wireless Sensor Networks (WSNs) requires sensor nodes to transmit their observations of the signal over a multiple access channel to a Fusion Center (FC). The FC uses the received observations, which is corrupted by observation noise and both channel fading and noise, to find the minimum Mean Square Error (MSE) estimate of the signal. In this paper, we investigate the effect of the source-node correlation (the correlation between sensor node observations and the source signal) and the inter-node correlation (the correlation between sensor node observations) on the performance of the Linear Minimum Mean Square Error (LMMSE) estimator for three correlation models in the presence of channel fading. First, we investigate the asymptotic behavior of the achieved distortion (i.e., MSE) resulting from both the observation and channel noise in a non-fading channel. Then, the effect of channel fading is considered and the corresponding distortion outage probability, the probability that the distortion exceeds a certain value, is found. By representing the distortion as a ratio of indefinite quadratic forms, a closed-form expression is derived for the outage probability that shows its dependency on the correlation. Finally, the new representation of the outage probability allows us to propose an iterative solution for the power allocation problem to minimize the outage probability under total and individual power constraints. Numerical simulations are provided to verify our analytic results. © 2013 IEEE.
Mass dependence of short-range correlations in nuclei and the EMC effect
Directory of Open Access Journals (Sweden)
Cosyn Wim
2014-03-01
Full Text Available We sketch an approximate method to quantify the number of correlated pairs in any nucleus A. It is based on counting independent-particle model (IPM nucleon-nucleon pairs in a relative S-state with no radial excitation. We show that IPM pairs with those quantum numbers are most prone to short-range correlations and are at the origin of the high-momentum tail of the nuclear momentum distributions. Our method allows to compute the a2 ratios extracted from inclusive electron scattering. Furthermore, our results reproduce the observed linear correlation between the number of correlated pairs and the magnitude of the EMC effect. We show that the width of the pair center-ofmass distribution in exclusive two-nucleon knockout yields information on the quantum numbers of the pairs.
Finite size effects in the intermittency analysis of the fragment-size correlations
International Nuclear Information System (INIS)
Bozek, P.; Ploszajczak, M.; Tucholski, A.
1991-01-01
An influence of the finite size effect on the fragment-size correlations in the nuclear multifragmentation is studied using the method of scaled factorial moments for a 1 - dim percolation model and for a statistical model of the fragmentation process, which for a certain value of a tuning parameter yields the power-law behaviour of the fragment-size distribution. It is shown that the statistical models of this type contain only repulsive correlations due to the conservation laws. The comparison of the results with those obtained in the non-critical 1 - dim percolation and in the 3 - dim percolation at around the critical point is presented. Correlations in the 1 - dim percolation model are analysed analytically and the mechanism of the attractive correlations in 1 - dim and 3 - dim is identified. (author) 30 refs., 7 figs
The effects of observational correlated noises on multifractal detrended fluctuation analysis
Gulich, Damián; Zunino, Luciano
2012-08-01
We have numerically investigated the effects that observational correlated noises have on the generalized Hurst exponents, h(q), estimated by using the multifractal generalization of detrended fluctuation analysis (MF-DFA). More precisely, artificially generated stochastic binomial multifractals with increased amount of colored noises were analyzed via MF-DFA. It has been recently shown that for moderate additions of white noise, the generalized Hurst exponents are significantly underestimated for qeffects of additive noise, short- term memory and periodic trends, Physica A 390 (2011) 2480-2490]. In this paper, we have found that h(q) with q≥2 are also affected when correlated noises are considered. This is due to the fact that the spurious correlations influence the scaling behaviors associated to large fluctuations. The results obtained are significant for practical situations, where noises with different correlations are inherently present.
Quantum Zeno and anti-Zeno effects on quantum and classical correlations
International Nuclear Information System (INIS)
Francica, F.; Plastina, F.; Maniscalco, S.
2010-01-01
In this paper we study the possibility of modifying the dynamics of both quantum correlations, such as entanglement and discord, and classical correlations of an open bipartite system by means of the quantum Zeno effect. We consider two qubits coupled to a common boson reservoir at zero temperature. This model describes, for example, two atoms interacting with a quantized mode of a lossy cavity. We show that when the frequencies of the two atoms are symmetrically detuned from that of the cavity mode, oscillations between the Zeno and anti-Zeno regimes occur. We also calculate analytically the time evolution of both classical correlations and quantum discord, and we compare the Zeno dynamics of entanglement with the Zeno dynamics of classical correlations and discord.
Ebadifard Azar, Farbod; Sarabi Asiabar, Ali
2015-01-01
Background: Effective leadership is essential to passing through obstacles facing the health field.The current health care system in Iran has major problems and gaps in the field of effective leadership. The aim of this study was to evaluate hospital managers? leadership style through selfassessment and to determine the correlation between leadership styles with healthcare executives? leadership readiness and leadership effectiveness. Methods: In this cross-sectional study a self-administered...
Rimza, Tripti; Sharma, Prerana
2017-05-01
The dispersion properties of lower hybrid wave are studied in electron-iondegenerate plasma with exchange effect in non-relativistic regime. It is found that the combined effect of Bohm potential and exchange correlation potential significantly modifies the dispersion properties of lower hybrid wave. The graphical results explicitly show the influence of degeneracy pressure, Bohm force and exchange correlation potential on the frequency of the lower hybrid mode. Present work should be of relevance for the dense astrophysical environments like white dwarfs and for laboratory experiments.
Courtney, Joseph M; Rienstra, Chad M
2016-08-01
We present a systematic study of dipolar double quantum (DQ) filtering in (13)C-labeled organic solids over a range of magic-angle spinning rates, using the SPC-n recoupling sequence element with a range of n symmetry values from 3 to 11. We find that efficient recoupling can be achieved for values n⩾7, provided that the (13)C nutation frequency is on the order of 100kHz or greater. The decoupling-field dependence was investigated and explicit heteronuclear decoupling interference conditions identified. The major determinant of DQ filtering efficiency is the decoupling interference between (13)C and (1)H fields. For (13)C nutation frequencies greater than 75kHz, optimal performance is observed without an applied (1)H field. At spinning rates exceeding 20kHz, symmetry conditions as low as n=3 were found to perform adequately. Copyright © 2016 Elsevier Inc. All rights reserved.
DEFF Research Database (Denmark)
Stamate, Eugen; Draghici, M.
2012-01-01
A large area plasma source based on 12 multi-dipolar ECR plasma cells arranged in a 3 x 4 matrix configuration was built and optimized for silicon etching by negative ions. The density ratio of negative ions to electrons has exceeded 300 in Ar/SF6 gas mixture when a magnetic filter was used...... to reduce the electron temperature to about 1.2 eV. Mass spectrometry and electrostatic probe were used for plasma diagnostics. The new source is free of density jumps and instabilities and shows a very good stability for plasma potential, and the dominant negative ion species is F-. The magnetic field...... in plasma volume is negligible and there is no contamination by filaments. The etching rate by negative ions measured in Ar/SF6/O-2 mixtures was almost similar with that by positive ions reaching 700 nm/min. (C) 2012 American Institute of Physics...
Simulation study of localization of electromagnetic waves in two-dimensional random dipolar systems
International Nuclear Information System (INIS)
Wang, Ken Kang-Hsin; Ye Zhen
2003-01-01
We study the propagation and scattering of electromagnetic waves by random arrays of dipolar cylinders in a uniform medium. A set of self-consistent equations, incorporating all orders of multiple scattering of the electromagnetic waves, is derived from first principles and then solved numerically for electromagnetic fields. For certain ranges of frequencies, spatially localized electromagnetic waves appear in such a simple but realistic disordered system. Dependence of localization on the frequency, radiation damping, and filling factor is shown. The spatial behavior of the total, coherent, and diffusive waves is explored in detail, and found to comply with a physical intuitive picture. A phase diagram characterizing localization is presented, in agreement with previous investigations on other systems
Simulation study of localization of electromagnetic waves in two-dimensional random dipolar systems.
Wang, Ken Kang-Hsin; Ye, Zhen
2003-12-01
We study the propagation and scattering of electromagnetic waves by random arrays of dipolar cylinders in a uniform medium. A set of self-consistent equations, incorporating all orders of multiple scattering of the electromagnetic waves, is derived from first principles and then solved numerically for electromagnetic fields. For certain ranges of frequencies, spatially localized electromagnetic waves appear in such a simple but realistic disordered system. Dependence of localization on the frequency, radiation damping, and filling factor is shown. The spatial behavior of the total, coherent, and diffusive waves is explored in detail, and found to comply with a physical intuitive picture. A phase diagram characterizing localization is presented, in agreement with previous investigations on other systems.
Dynamical Properties of a Diluted Dipolar-Interaction Heisenberg Spin Glass
International Nuclear Information System (INIS)
Zhang Kai-Cheng; Liu Yong; Chi Feng
2014-01-01
Up to now the chirality is seldom studied in the diluted spin glass although many investigations have been performed on the site-ordered Edwards—Anderson model. By simulation, we investigate the dynamical properties of both the spin-glass and the chiral-glass phases in a diluted dipolar system, which was manifested to have a spin-glass transition by recent numerical study. By scaling we find that both phases have the same aging behavior and closer aging parameter μ. Similarly, the domains grow in the same way and both phases have a closer barrier exponent Ψ. It means that both the spins and the chirality have the same dynamical properties and they may freeze at the same temperature. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Cohen, I. J.; Mauk, B.; Anderson, B. J.; Sitnov, M. I.; Motoba, T.; Ohtani, S.; Gkioulidou, M.; Fuselier, S. A.; Giles, B. L.; Strangeway, R. J.; Torbert, R. B.; Burch, J. L.
2017-12-01
Observations from the Energetic Ion Spectrometer (EIS) instruments aboard MMS have shown angular (pitch, elevation, azimuthal) asymmetries of energetic (>10s of keV) ions corresponding to dipolarization events in the near-Earth and distant magnetotail. In particular, EIS distinguishes the species composition of these ions (protons, helium, oxygen) and reveals apparent species-based differences in their response. This study presents analysis of the dynamic injection and mass-dependent response of energetic ions that likely result from the kinetic response of the ions to the time-varying electric and magnetic fields associated with injection process. Analysis is focused on discriminating between truly kinetic responses to the dynamics and the features that arise from large gyro-radii particles in the vicinity of strong spatial gradients. The study will focus on EIS measurements and include supplementary data from the FIELDS, FPI, and HPCA instruments.
Nikitin, E E; Troe, J
2010-09-16
Approximate analytical expressions are derived for the low-energy rate coefficients of capture of two identical dipolar polarizable rigid rotors in their lowest nonresonant (j(1) = 0 and j(2) = 0) and resonant (j(1) = 0,1 and j(2) = 1,0) states. The considered range extends from the quantum, ultralow energy regime, characterized by s-wave capture, to the classical regime described within fly wheel and adiabatic channel approaches, respectively. This is illustrated by the table of contents graphic (available on the Web) that shows the scaled rate coefficients for the mutual capture of rotors in the resonant state versus the reduced wave vector between the Bethe zero-energy (left arrows) and classical high-energy (right arrow) limits for different ratios δ of the dipole-dipole to dispersion interaction.
International Nuclear Information System (INIS)
Dale, Einar; Olsen, Dag R.; Fossa, Sophie D.
1999-01-01
Purpose: Radiation therapy of deep-sited tumours will always result in normal tissue doses to some extent. The aim of this study was to calculate different risk estimates of late effects in the rectum for a group of cancer prostate patients treated with conformal radiation therapy (CRT) and correlate these estimates with the occurrences of late effects. Since the rectum is a hollow organ, several ways of generating dose-volume distributions over the organ are possible, and we wanted to investigate two of them. Methods and Materials: A mathematical model, known as the Lyman-Kutcher model, conventionally used to estimate normal tissue complication probabilities (NTCP) associated with radiation therapy, was applied to a material of 52 cancer prostate patients. The patients were treated with a four field box technique, with the rectum as organ at risk. Dose-volume histograms (DVH) were generated for the whole rectum (including the cavity) and of the rectum wall. One to two years after the treatment, the patients completed a questionnaire concerning bowel (rectum) related morbidity quantifying the extent of late effects. Results: A correlation analysis using Spearman's rank correlation coefficient, for NTCP values calculated from the DVHs and the patients' scores, gave correlation coefficients which were not statistically significant at the p max , of the whole rectum, correlated better to observed late toxicity than D max derived from histograms of the rectum wall. Correlation coefficients from 'high-dose' measures were larger than those calculated from the NTCP values. Accordingly, as the volume parameter of the Lyman-Kutcher model was reduced, raising the impact of small high-dose volumes on the NTCP values, the correlation between observed effects and NTCP values became significant at p < 0.01 level. Conclusions: 1) High-dose levels corresponding to small volume fractions of the cumulative dose-volume histograms were best correlated with the occurrences of late
International Nuclear Information System (INIS)
Massen, S. E.; Garistov, V. P.; Grypeos, M. E.
1996-01-01
The effects of nuclear surface fluctuations on harmonic oscillator elastic charge form factor of light nuclei are investigated, simultaneously approximating the short-range correlations through a Jastrow correlation factor. Inclusion of the surface fluctuation effects within this description, by truncating the cluster expansion at the two-body part, is found to improve somewhat the fit to the elastic charge form-factor of 16 O and 40 Ca. However, the convergence of the cluster expansion is expected to deteriorate. An additional finding is that surface-fluctuation correlations produce a drastic change in the asymptotic behaviour of the point-proton form-factor, which now falls off quite slowly (i.e. as const.q -4 ) at large values of the momentum transfer q
Cutoff effects on energy-momentum tensor correlators in lattice gauge theory
International Nuclear Information System (INIS)
Meyer, Harvey B.
2009-01-01
We investigate the discretization errors affecting correlators of the energy-momentum tensor T μν at finite temperature in SU(N c ) gauge theory with the Wilson action and two different discretizations of T μν . We do so by using lattice perturbation theory and non-perturbative Monte-Carlo simulations. These correlators, which are functions of Euclidean time x 0 and spatial momentum p, are the starting point for a lattice study of the transport properties of the gluon plasma. We find that the correlator of the energy ∫d 3 x T 00 has much larger discretization errors than the correlator of momentum ∫d 3 x T 0k . Secondly, the shear and diagonal stress correlators (T 12 and T kk ) require N τ ≥ 8 for the Tx 0 = 1/2 point to be in the scaling region and the cutoff effect to be less than 10%. We then show that their discretization errors on an anisotropic lattice with a σ /a τ = 2 are comparable to those on the isotropic lattice with the same temporal lattice spacing. Finally, we also study finite p correlators.
A study on the effect of the CHF correlations to the LOCA analysis
International Nuclear Information System (INIS)
Kim, Ho Kee
1998-02-01
The critical heat flux (CHF) is a major parameter which determines the cooling performance and therefore the prediction of CHF is of importance for the design and safety analysis in boiling systems; such as nuclear reactors, conventional boilers, and other various two-phase flow systems. Until now, many CHF correlations have been developed and for the actual design a correlation has been selected in consideration of its characteristics. For the analysis of Loss of Coolant Accident (LOCA) in a Nuclear Power Plant, which shows the drastic parameters change during the system transient, a correlation having a reasonable degree of accuracy over a wide range is preferred, rather than that having accuracy for a specific range. It is required to have tangible insight about the effects of the CHF correlation to the LOCA analysis for the purpose of computer code development and nuclear regulation. The related research is further recommended. The purpose of this research is to obtain an insight and/or intuition about the above effect and to evaluate the selected CHF correlations. To achieve these purposes LOCA is analysed for the UL-JIN 3 and 4 nuclear power plant, the Korea Standard Type Nuclear Power Plant and the Loss of Flow Test (LOFT) L2-5 experiment is simulated using the RELAP5/MOD3.1 computer code for each selected CHF correlation. The selected correlations are the AECL-UO Lookup Table, adapted in RELAP5 code; the K110 CHF correlation, developed by KAERI; and the original W-3 CHF correlation, developed by L.S. Tong. LOFT is also simulated using the AECL-UO Lookup Table having the CHF multiplication factors 0.5 and 1.5, and then compared with the result of the original Lookup Table and the experiment result. In the LOCA analysis, the CHF correlations affect the magnitude of peak cladding temperatures, but does not seriously affect the occurrence points of time. The effect of each CHF correlation to the fuel cladding temperature behavior becomes apparent at the end of
Hennigan, Christopher J; Bergin, Michael H; Weber, Rodney J
2008-12-15
Ground-based measurements of meteorological parameters and water-soluble organic carbon in the gas(WSOCg) and particle (WSOCp) phases were carried out in Atlanta, Georgia, from May to September 2007. Fourteen separate events were observed throughout the summer in which WSOCp and water vapor concentrations were highly correlated (average WSOCp-water vapor r = 0.92); however, for the entire summer, no well-defined relationship existed between the two. The correlation events, which lasted on average 19 h, were characterized by a wide range of WSOCp and water vapor concentrations. Several hypotheses for the correlation are explored, including heterogeneous liquid phase SOA formation and the co-emission of biogenic VOCs and water vapor. The data provide supporting evidence for contributions from both and suggest the possibility of a synergistic effect between the co-emission of water vapor and VOCs from biogenic sources on SOA formation. Median WSOCp concentrations were also correlated with elemental carbon (EC), although this correlation extended over the entire summer. Despite the emission of water vapor from anthropogenic mobile sources and the WSOCp-EC correlation, mobile sources were not considered a potential cause for the WSOCp-water vapor correlations because of their low contribution to the water vapor budget. Meteorology could perhaps have influenced the WSOCp-EC correlation, but other factors are implicated as well. Overall, the results suggest that the temperature-dependent co-emission of water vapor through evapotranspiration and SOA precursor-VOCs by vegetation may be an important process contributing to SOA in some environments.
Micro-structure-mobility correlation in self-organised, conjugated polymer field-effect transistors
Sirringhaus, H.; Brown, P.J.; Friend, R.H.; Nielsen, M.M.; Bechgaard, K.; Langeveld-Voss, B.M.W.; Spiering, A.J.H.; Janssen, R.A.J.; Meijer, E.W.
2000-01-01
We have investigated the correlation between polymer microstructure and charge carrier mobility in high-mobility, self-organised field-effect transistors of poly-3-hexyl-thiophene (P3HT). Two different preferential orientations of the microcrystalline P3HT domains with respect to the substrate have
Electron density in reasonably real metallic surfaces, including interchange and correlation effects
International Nuclear Information System (INIS)
Moraga, L.A.; Martinez, G.
1981-01-01
By means of a new method, the electron density in a jellium surface is calculated taking in account interchange and correlation effects; reproducing, in this way, the Lang and Kohn results. The new method is self-consistent but not iterative and hence is possible extend it to the solution of the same problem in more reasonably real metallic surfaces. (L.C.) [pt
Annavi, Geetha; Newman, Christopher; Buesching, Christina D.; Macdonald, David W.; Burke, Terry; Dugdale, Hannah L.
HFCs (heterozygosity-fitness correlations) measure the direct relationship between an individual's genetic diversity and fitness. The effects of parental heterozygosity and the environment on HFCs are currently under-researched. We investigated these in a high-density U. K. population of European
Microstructure-mobility correlation in self-organised, conjugated polymer field-effect transistors
DEFF Research Database (Denmark)
Sirringhaus, H.; Brown, P.J.; Friend, R.H.
2000-01-01
We have investigated the correlation between polymer microstructure and charge carrier mobility in high-mobility, self-organised field-effect transistors of poly-3-hexyl-thiophene (P3HT). Two different preferential orientations of the microcrystalline P3HT domains with respect to the substrate have...
Kühberger, Anton; Fritz, Astrid; Scherndl, Thomas
2014-01-01
Background The p value obtained from a significance test provides no information about the magnitude or importance of the underlying phenomenon. Therefore, additional reporting of effect size is often recommended. Effect sizes are theoretically independent from sample size. Yet this may not hold true empirically: non-independence could indicate publication bias. Methods We investigate whether effect size is independent from sample size in psychological research. We randomly sampled 1,000 psychological articles from all areas of psychological research. We extracted p values, effect sizes, and sample sizes of all empirical papers, and calculated the correlation between effect size and sample size, and investigated the distribution of p values. Results We found a negative correlation of r = −.45 [95% CI: −.53; −.35] between effect size and sample size. In addition, we found an inordinately high number of p values just passing the boundary of significance. Additional data showed that neither implicit nor explicit power analysis could account for this pattern of findings. Conclusion The negative correlation between effect size and samples size, and the biased distribution of p values indicate pervasive publication bias in the entire field of psychology. PMID:25192357
Mussard, Bastien; Rocca, Dario; Jansen, Georg; Ángyán, János G
2016-05-10
Starting from the general expression for the ground state correlation energy in the adiabatic-connection fluctuation-dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to calculate the direct random phase approximation (dRPA) correlation energy, can be used for alternative RPA expressions including exchange effects. Within this famework, the ACFDT analog of the second order screened exchange (SOSEX) approximation leads to a logarithmic formula for the correlation energy similar to the direct RPA expression. Alternatively, the contribution of the exchange can be included in the kernel used to evaluate the response functions. In this case, the use of an approximate kernel is crucial to simplify the formalism and to obtain a correlation energy in logarithmic form. Technical details of the implementation of these methods are discussed, and it is shown that one can take advantage of density fitting or Cholesky decomposition techniques to improve the computational efficiency; a discussion on the numerical quadrature made on the frequency variable is also provided. A series of test calculations on atomic correlation energies and molecular reaction energies shows that exchange effects are instrumental for improvement over direct RPA results.
Target correlation and polarization effects on the electron impact ionization of He atoms
Energy Technology Data Exchange (ETDEWEB)
Saha, Hari P, E-mail: hps1@physics.ucf.edu [Physics Department, University of Central Florida, Orlando, FL 32816 (United States)
2011-03-28
We have reported here the results of our investigation of the effects of electron correlation and polarization of the target in the incident channel on the electron impact ionization of the helium atom. The triple differential cross section (TDCS) is calculated for 28.6 eV incident electron energy for the case when the two final-state outgoing electrons share 4.0 eV excess energy equally and unequally and leave in the opposite direction. The electron correlation and polarization of the He-target in the initial state are considered completely ab initio using the recently extended multiconfiguration Hartree-Fock method. The electron correlation between the two outgoing electrons in the final state is included through the variationally determined screening potential. It is found that both target correlation and polarization in the incident channel play an important role; the polarization has larger effect on the TDCS than the target correlation. We compared our results with available experimental and theoretical data.
International Nuclear Information System (INIS)
Ishii, Yoshitaka; Markus, Michelle A.; Tycko, Robert
2001-01-01
Water-soluble biological macromolecules can be weakly aligned by dissolution in a strained, hydrated gel such as cross-linked polyacrylamide, an effect termed 'strain-induced alignment in a gel' (SAG). SAG induces nonzero nuclear magnetic dipole-dipole couplings that can be measured in high-resolution NMR spectra and used as structural constraints. The dependence of experimental 15 N- 1 H dipolar couplings extracted from two-dimensional heteronuclear single quantum coherence (HSQC) spectra on several properties of compressed polyacrylamide, including the extent of compression, the polyacrylamide concentration, and the cross-link density, is reported for the B1 immunoglobulin binding domain of streptococcal protein G (protein G/B1, 57 residues). It is shown that the magnitude of macromolecular alignment can be widely varied by adjusting these properties, although the orientation and asymmetry of the alignment tensor are not affected significantly. The dependence of the 15 N relaxation times T 1 and T 2 of protein G/B1 on polyacrylamide concentration are also reported. In addition, the results of 15 N relaxation and HSQC experiments on the RNA binding domain of prokaryotic protein S4 from Bacillus stearothermophilus (S4 Δ41, residues 43-200) in a compressed polyacrylamide gel are presented. These results demonstrate the applicability of SAG to proteins of higher molecular weight and greater complexity. A modified in-phase/anti-phase (IPAP) HSQC technique is described that suppresses natural-abundance 15 N background signals from amide groups in polyacrylamide, resulting in cleaner HSQC spectra in SAG experiments. The mechanism of protein alignment in strained polyacrylamide gels is contrasted with that in liquid crystalline media
Effect of heat transfer correlations on the fuel temperature prediction of SCWRs
International Nuclear Information System (INIS)
Espinosa-Martinez, E.G.; Martin-del-Campo, C.; Francois, J.L.; Espinosa-Paredes, G.
2016-01-01
In this paper, we present a numerical analysis of the effect of different heat transfer correlations on the prediction of the cladding wall temperature in a supercritical water reactor at nominal operating conditions. The neutronics process with temperature feedback effects, the heat transfer in the fuel rod, and the thermal-hydraulics in the core were simulated with a three-pass core design. (authors)
Directory of Open Access Journals (Sweden)
KEVIN M. BRADLEY
2006-09-01
Full Text Available Motivational differences as a function of sample type (applicants versus incumbents have frequently been suspected of causing meaningful differences in the psychometric properties of personality inventories due to the effects of faking. In this quantitative review, correlations among the Big Five personality constructs were estimated and sample type was examined as a potential moderator of the personality construct inter-correlations. The resulting subgroup meta-analytic correlation matrices were factor-analyzed, and the second order factor solutions for job incumbents and job applicants were compared. Results of the meta-analyses indicate frequent, but small moderating effects. The second order factor analyses indicated that the observed moderation had little effect on the congruence of factor loadings. Together, the results are consistent with the position that faking is of little practical consequence in selection settings.
Al-Murad, Tamim M.
2010-06-01
In densely deployed sensor networks, correlation among measurements may be high. Spatial sampling through node selection is usually used to minimize this correlation and to save energy consumption. However because of the fading nature of the wireless channels, extra care should be taken when performing this sampling. In this paper, we develop expressions for the distortion which include the channel effects. The asymptotic behavior of the distortion as the number of sensors or total transmit power increase without bound is also investigated. Further, based on the channel and position information we propose and test several node selection schemes.
Multiparticle correlations and identical particle effects in the independent cluster emission model
International Nuclear Information System (INIS)
Ranft, J.
1977-01-01
In the nucleon approach to phenomenological applications, the model is compared to many different kinds of experimental data. The comparison indicates, that the model is qualitatively consistent with all available data. Analysis indicates, that identical particle effects due to the Bose statistics are present in data on joint rapidity-asimuthal correlations near Δy=ΔPHI=0. A new approach to this problem is the uncorrelated jet model with the Bose statistics. This model confirms the previous results. Furthermore, taking isospin conservation into account, the Bose correlations are predicted in π + π - channels, which should be most easily detectable in the decay of heavy resonances J/PSI
The Effect of Spatial Interference Correlation and Jamming on Secrecy in Cellular Networks
Ali, Konpal S.
2017-06-02
Recent studies on secure wireless communication have shed light on a scenario where interference has a desirable impact on network performance. Particularly, assuming independent interference-power fluctuations at the eavesdropper and the receiver, opportunistic secure-information transfer can occur on the legitimate-link. However, interference is spatially correlated due to the common set of interfering sources, which may diminish the opportunistic-secure-spectrum-access (OSSA) probability. We study and quantify the effect of spatial interference correlation on OSSA in cellular-networks and investigate the potential of full-duplex jamming (FDJ) solutions. The results highlight the scenarios where FDJ improves OSSA performance.
The Effect of Spatial Interference Correlation and Jamming on Secrecy in Cellular Networks
Ali, Konpal S.; Elsawy, Hesham; Haenggi, Martin; Alouini, Mohamed-Slim
2017-01-01
Recent studies on secure wireless communication have shed light on a scenario where interference has a desirable impact on network performance. Particularly, assuming independent interference-power fluctuations at the eavesdropper and the receiver, opportunistic secure-information transfer can occur on the legitimate-link. However, interference is spatially correlated due to the common set of interfering sources, which may diminish the opportunistic-secure-spectrum-access (OSSA) probability. We study and quantify the effect of spatial interference correlation on OSSA in cellular-networks and investigate the potential of full-duplex jamming (FDJ) solutions. The results highlight the scenarios where FDJ improves OSSA performance.
Gaussian covariance graph models accounting for correlated marker effects in genome-wide prediction.
Martínez, C A; Khare, K; Rahman, S; Elzo, M A
2017-10-01
Several statistical models used in genome-wide prediction assume uncorrelated marker allele substitution effects, but it is known that these effects may be correlated. In statistics, graphical models have been identified as a useful tool for covariance estimation in high-dimensional problems and it is an area that has recently experienced a great expansion. In Gaussian covariance graph models (GCovGM), the joint distribution of a set of random variables is assumed to be Gaussian and the pattern of zeros of the covariance matrix is encoded in terms of an undirected graph G. In this study, methods adapting the theory of GCovGM to genome-wide prediction were developed (Bayes GCov, Bayes GCov-KR and Bayes GCov-H). In simulated data sets, improvements in correlation between phenotypes and predicted breeding values and accuracies of predicted breeding values were found. Our models account for correlation of marker effects and permit to accommodate general structures as opposed to models proposed in previous studies, which consider spatial correlation only. In addition, they allow incorporation of biological information in the prediction process through its use when constructing graph G, and their extension to the multi-allelic loci case is straightforward. © 2017 Blackwell Verlag GmbH.
Spatially varying cross-correlation coefficients in the presence of nugget effects
Kleiber, William; Genton, Marc G.
2012-01-01
We derive sufficient conditions for the cross-correlation coefficient of a multivariate spatial process to vary with location when the spatial model is augmented with nugget effects. The derived class is valid for any choice of covariance functions, and yields substantial flexibility between multiple processes. The key is to identify the cross-correlation coefficient matrix with a contraction matrix, which can be either diagonal, implying a parsimonious formulation, or a fully general contraction matrix, yielding greater flexibility but added model complexity. We illustrate the approach with a bivariate minimum and maximum temperature dataset in Colorado, allowing the two variables to be positively correlated at low elevations and nearly independent at high elevations, while still yielding a positive definite covariance matrix. © 2012 Biometrika Trust.
Spatially varying cross-correlation coefficients in the presence of nugget effects
Kleiber, William
2012-11-29
We derive sufficient conditions for the cross-correlation coefficient of a multivariate spatial process to vary with location when the spatial model is augmented with nugget effects. The derived class is valid for any choice of covariance functions, and yields substantial flexibility between multiple processes. The key is to identify the cross-correlation coefficient matrix with a contraction matrix, which can be either diagonal, implying a parsimonious formulation, or a fully general contraction matrix, yielding greater flexibility but added model complexity. We illustrate the approach with a bivariate minimum and maximum temperature dataset in Colorado, allowing the two variables to be positively correlated at low elevations and nearly independent at high elevations, while still yielding a positive definite covariance matrix. © 2012 Biometrika Trust.
Braakhuis, Andrea J; Hopkins, Will G; Lowe, Timothy E
2013-09-01
The beneficial effects of exercise and a healthy diet are well documented in the general population but poorly understood in elite athletes. Previous research in subelite athletes suggests that regular training and an antioxidant-rich diet enhance antioxidant defenses but not performance. To investigate whether habitual diet and/or exercise (training status or performance) affect antioxidant status in elite athletes. Antioxidant blood biomarkers were assessed before and after a 30-min ergometer time trial in 28 male and 34 female rowers. The antioxidant blood biomarkers included ascorbic acid, uric acid, total antioxidant capacity (TAC), erythrocyte- superoxide dismutase, glutathione peroxidase (GPx), and catalase. Rowers completed a 7-d food diary and an antioxidant-intake questionnaire. Effects of diet, training, and performance on resting biomarkers were assessed with Pearson correlations, and their effect on exercise-induced changes in blood biomarkers was assessed by a method of standardization. With the exception of GPx, there were small to moderate increases with exercise for all markers. Blood resting TAC had a small correlation with total antioxidant intake (correlation .29; 90% confidence limits, ±.27), and the exercise-induced change in TAC had a trivial to small association with dietary antioxidant intake from vitamin C (standardized effect .19; ±.22), vegetables (.20; ±.23), and vitamin A (.25; ±.27). Most other dietary intakes had trivial associations with antioxidant biomarkers. Years of training had a small inverse correlation with TAC (-.32; ±.19) and a small association with the exercise-induced change in TAC (.27; ±.24). Training status correlates more strongly with antioxidant status than diet does.
The double-soft limit in cosmological correlation functions and graviton exchange effects
Energy Technology Data Exchange (ETDEWEB)
Alinea, Allan L.; Kubota, Takahiro; Misumi, Nobuhiko, E-mail: alinea@het.phys.sci.osaka-u.ac.jp, E-mail: kubota@celas.osaka-u.ac.jp, E-mail: misumi.nobu@gmail.com [Department of Physics, Osaka University, Toyonaka, Osaka 560-0043 (Japan)
2017-01-01
The graviton exchange effect on cosmological correlation functions is examined by employing the double-soft limit technique. A new relation among correlation functions that contain the effects due to graviton exchange diagrams in addition to those due to scalar-exchange and scalar-contact-interaction, is derived by using the background field method and independently by the method of Ward identities associated with dilatation symmetry. We compare these three terms, putting small values for the slow-roll parameters and (1− n {sub s} ) ≈ 0.042, where n {sub s} is the scalar spectral index. It is argued that the graviton exchange effects are more dominant than the other two and could be observed in the trispectrum in the double-soft limit. Our observation strengthens the previous work by Seery, Sloth and Vernizzi, in which it has been argued that the graviton exchange dominates in the counter-collinear limit for single field slow-roll inflation.
DNA-based nanobiostructured devices: The role of quasiperiodicity and correlation effects
Energy Technology Data Exchange (ETDEWEB)
Albuquerque, E.L., E-mail: eudenilson@gmail.com [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970, Natal-RN (Brazil); Fulco, U.L. [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970, Natal-RN (Brazil); Freire, V.N. [Departamento de Física, Universidade Federal do Ceará, 60455-760, Fortaleza-CE (Brazil); Caetano, E.W.S. [Instituto Federal de Educação, Ciência e Tecnologia do Ceará, 60040-531, Fortaleza-CE (Brazil); Lyra, M.L.; Moura, F.A.B.F. de [Instituto de Física, Universidade Federal de Alagoas, 57072-970, Maceió-AL (Brazil)
2014-02-01
The purpose of this review is to present a comprehensive and up-to-date account of the main physical properties of DNA-based nanobiostructured devices, stressing the role played by their quasi-periodicity arrangement and correlation effects. Although the DNA-like molecule is usually described as a short-ranged correlated random ladder, artificial segments can be grown following quasiperiodic sequences as, for instance, the Fibonacci and Rudin–Shapiro ones. They have interesting properties like a complex fractal spectra of energy, which can be considered as their indelible mark, and collective properties that are not shared by their constituents. These collective properties are due to the presence of long-range correlations, which are expected to be reflected somehow in their various spectra (electronic transmission, density of states, etc.) defining another description of disorder. Although long-range correlations are responsible for the effective electronic transport at specific resonant energies of finite DNA segments, much of the anomalous spread of an initially localized electron wave-packet can be accounted by short-range pair correlations, suggesting that an approach based on the inclusion of further short-range correlations on the nucleotide distribution leads to an adequate description of the electronic properties of DNA segments. The introduction of defects may generate states within the gap, and substantially improves the conductance, specially of finite branches. They usually become exponentially localized for any amount of disorder, and have the property to tailor the electronic transport properties of DNA-based nanoelectronic devices. In particular, symmetric and antisymmetric correlations have quite distinct influence on the nature of the electronic states, and a diluted distribution of defects lead to an anomalous diffusion of the electronic wave-packet. Nonlinear contributions, arising from the coupling between electrons and the molecular
International Nuclear Information System (INIS)
Xue, Liyuan; Yu, Yanxia; Cai, Xiaoya; Pan, Hui; Wang, Zisheng
2016-01-01
Highlights: • We find that the Pancharatnam phases include the information of quantum correlations. • We show that the sudden died and alive phenomena of quantum entanglement is original in the transition of Pancharatnam phase. • We find that the faster the Pancharatnam phases change, the slower the quantum correlations decay. • We find that a subspace of quantum entanglement can exist in the Y-state. • Our results provide a useful approach experimentally to implement the time-dependent geometric quantum computation. - Abstract: We investigate time-dependent Pancharatnam phases and the relations between such geometric phases and quantum correlations, i.e., quantum discord and concurrence, of superconducting two-qubit coupling system in dissipative environment with the mixture effects of four different eigenstates of density matrix. We find that the time-dependent Pancharatnam phases not only keep the motion memory of such a two-qubit system, but also include the information of quantum correlations. We show that the sudden died and alive phenomena of quantum entanglement are intrinsic in the transition of Pancharatnam phase in the X-state and the complex oscillations of Pancharatnam phase in the Y-state. The faster the Pancharatnam phases change, the slower the quantum correlations decay. In particular, we find that a subspace of quantum entanglement can exist in the Y-state by choosing suitable coupling parameters between two-qubit system and its environment, or initial conditions.
Effects of doping on spin correlations in the periodic Anderson model
International Nuclear Information System (INIS)
Bonca, J.; Gubernatis, J.E.
1998-01-01
We studied the effects of hole doping on spin correlations in the two-dimensional periodic Anderson model, mainly at the full and three-quarters-full lower bands cases. In the full lower band case, strong antiferromagnetic correlations develop when the on-site repulsive interaction strength U becomes comparable to the quasiparticle bandwidth. In the three-quarters full case, a kind of spin correlation develops that is consistent with the resonance between a (π,0) and a (0,π) spin-density wave. In this state the spins on different sublattices appear uncorrelated. Hole doping away from the completely full case rapidly destroys the long-range antiferromagnetic correlations, in a manner reminiscent of the destruction of antiferromagnetism in the Hubbard model. In contrast to the Hubbard model, the doping does not shift the peak in the magnetic structure factor from the (π,π) position. At dopings intermediate to the full and three-quarters full cases, only weak spin correlations exist. copyright 1998 The American Physical Society
Demystifying the memory effect: A geometrical approach to understanding speckle correlations
Prunty, Aaron C.; Snieder, Roel K.
2017-05-01
The memory effect has seen a surge of research into its fundamental properties and applications since its discovery by Feng et al. [Phys. Rev. Lett. 61, 834 (1988)]. While the wave trajectories for which the memory effect holds are hidden implicitly in the diffusion probability function [Phys. Rev. B 40, 737 (1989)], the physical intuition of why these trajectories satisfy the memory effect has often been masked by the derivation of the memory correlation function itself. In this paper, we explicitly derive the specific trajectories through a random medium for which the memory effect holds. Our approach shows that the memory effect follows from a simple conservation argument, which imposes geometrical constraints on the random trajectories that contribute to the memory effect. We illustrate the time-domain effects of these geometrical constraints with numerical simulations of pulse transmission through a random medium. The results of our derivation and numerical simulations are consistent with established theory and experimentation.
Effects of Protein-pheromone Complexation on Correlated Chemical Shift Modulations
International Nuclear Information System (INIS)
Perazzolo, Chiara; Wist, Julien; Loth, Karine; Poggi, Luisa; Homans, Steve; Bodenhausen, Geoffrey
2005-01-01
Major urinary protein (MUP) is a pheromone-carrying protein of the lipocalin family. Previous studies by isothermal titration calorimetry (ITC) show that the affinity of MUP for the pheromone 2-methoxy-3-isobutylpyrazine (IBMP) is mainly driven by enthalpy, with a small unfavourable entropic contribution. Entropic terms can be attributed in part to changes in internal motions of the protein upon binding. Slow internal motions can lead to correlated or anti-correlated modulations of the isotropic chemical shifts of carbonyl C' and amide N nuclei. Correlated chemical shift modulations (CSM/CSM) in MUP have been determined by measuring differences of the transverse relaxation rates of zero- and double-quantum coherences ZQC{C'N} and DQC{C'N}, and by accounting for the effects of correlated fluctuations of dipole-dipole couplings (DD/DD) and chemical shift anisotropies (CSA/CSA). The latter can be predicted from tensor parameters of C' and N nuclei that have been determined in earlier work. The effects of complexation on slow time-scale protein dynamics can be determined by comparing the temperature dependence of the relaxation rates of APO-MUP (i.e., without ligand) and HOLO-MUP (i.e., with IBMP as a ligand)
Effects of Protein-pheromone Complexation on Correlated Chemical Shift Modulations
Energy Technology Data Exchange (ETDEWEB)
Perazzolo, Chiara; Wist, Julien [Ecole Polytechnique Federale de Lausanne, Institut des Sciences et Ingenierie Chimiques (Switzerland); Loth, Karine; Poggi, Luisa [Ecole Normale Superieure, Departement de chimie, associe au CNRS (France); Homans, Steve [University of Leeds, School of Biochemistry and Microbiology (United Kingdom); Bodenhausen, Geoffrey [Ecole Polytechnique Federale de Lausanne, Institut des Sciences et Ingenierie Chimiques (Switzerland)], E-mail: Geoffrey.Bodenhausen@ens.fr
2005-12-15
Major urinary protein (MUP) is a pheromone-carrying protein of the lipocalin family. Previous studies by isothermal titration calorimetry (ITC) show that the affinity of MUP for the pheromone 2-methoxy-3-isobutylpyrazine (IBMP) is mainly driven by enthalpy, with a small unfavourable entropic contribution. Entropic terms can be attributed in part to changes in internal motions of the protein upon binding. Slow internal motions can lead to correlated or anti-correlated modulations of the isotropic chemical shifts of carbonyl C' and amide N nuclei. Correlated chemical shift modulations (CSM/CSM) in MUP have been determined by measuring differences of the transverse relaxation rates of zero- and double-quantum coherences ZQC{l_brace}C'N{r_brace} and DQC{l_brace}C'N{r_brace}, and by accounting for the effects of correlated fluctuations of dipole-dipole couplings (DD/DD) and chemical shift anisotropies (CSA/CSA). The latter can be predicted from tensor parameters of C' and N nuclei that have been determined in earlier work. The effects of complexation on slow time-scale protein dynamics can be determined by comparing the temperature dependence of the relaxation rates of APO-MUP (i.e., without ligand) and HOLO-MUP (i.e., with IBMP as a ligand)
International Nuclear Information System (INIS)
Zhao Xiaojun; Shang Pengjian; Zhao Chuang; Wang Jing; Tao Rui
2012-01-01
Highlights: ► Investigate the effects of linear, exponential and periodic trends on DCCA. ► Apply empirical mode decomposition to extract trend term. ► Strong and monotonic trends are successfully eliminated. ► Get the cross-correlation exponent in a persistent behavior without crossover. - Abstract: Detrended cross-correlation analysis (DCCA) is a scaling method commonly used to estimate long-range power law cross-correlation in non-stationary signals. However, the susceptibility of DCCA to trends makes the scaling results difficult to analyze due to spurious crossovers. We artificially generate long-range cross-correlated signals and systematically investigate the effect of linear, exponential and periodic trends. Specifically to the crossovers raised by trends, we apply empirical mode decomposition method which decomposes underlying signals into several intrinsic mode functions (IMF) and a residual trend. After the removal of residual term, strong and monotonic trends such as linear and exponential trends are successfully eliminated. But periodic trend cannot be separated out according to the criterion of IMF, which can be eliminated by Fourier transform. As a special case of DCCA, detrended fluctuation analysis presents similar results.
Amiel, Joshua Johnstone; Lindström, Tom; Shine, Richard
2014-03-01
Previous studies have suggested that body size and locomotor performance are targets of Darwinian selection in reptiles. However, much of the variation in these traits may derive from phenotypically plastic responses to incubation temperature, rather than from underlying genetic variation. Intriguingly, incubation temperature may also influence cognitive traits such as learning ability. Therefore, we might expect correlations between a reptile's size, locomotor speed and learning ability either due to selection on all of these traits or due to environmental effects during egg incubation. In the present study, we incubated lizard eggs (Scincidae: Bassiana duperreyi) under 'hot' and 'cold' thermal regimes and then assessed differences in hatchling body size, running speed and learning ability. We measured learning ability using a Y-maze and a food reward. We found high correlations between size, speed and learning ability, using two different metrics to quantify learning (time to solution, and directness of route), and showed that environmental effects (incubation temperature) cause these correlations. If widespread, such correlations challenge any simple interpretation of fitness advantages due to body size or speed within a population; for example, survivors may be larger and faster than nonsurvivors because of differences in learning ability, not because of their size or speed.
Effect of Coulomb Correlation on the Magnetic Properties of Mn Clusters.
Huang, Chengxi; Zhou, Jian; Deng, Kaiming; Kan, Erjun; Jena, Puru
2018-05-03
In spite of decades of research, a fundamental understanding of the unusual magnetic behavior of small Mn clusters remains a challenge. Experiments show that Mn 2 is antiferromagnetic while small clusters containing up to five Mn atoms are ferromagnetic with magnetic moments of 5 μ B /atom and become ferrimagnetic as they grow further. Theoretical studies based on density functional theory (DFT), however, find Mn 2 to be ferromagnetic, with ferrimagnetic order setting in at different sizes that depend upon the computational methods used. While quantum chemical techniques correctly account for the antiferromagnetic ground state of Mn 2 , they are computationally too demanding to treat larger clusters, making it difficult to understand the evolution of magnetism. These studies clearly point to the importance of correlation and the need to find ways to treat it effectively for larger clusters and nanostructures. Here, we show that the DFT+ U method can be used to account for strong correlation. We determine the on-site Coulomb correlation, Hubbard U self-consistently by using the linear response theory and study its effect on the magnetic coupling of Mn clusters containing up to five atoms. With a calculated U value of 4.8 eV, we show that the ground state of Mn 2 is antiferromagnetic with a Mn-Mn distance of 3.34 Å, which agrees well with the electron spin resonance experiment. Equally important, we show that on-site Coulomb correlation also plays an important role in the evolution of magnetic coupling in larger clusters, as the results differ significantly from standard DFT calculations. We conclude that for a proper understanding of magnetism of Mn nanostructures (clusters, chains, and layers) one must take into account the effect of strong correlation.
The effect of exchange-correlation on change and stability of crystal structure
International Nuclear Information System (INIS)
Yazdani, A.; Niazi, M.; Alimardan, V.
2007-01-01
Since exchange interaction energy has effect on band structure via polarization of spin of free electron, then can directly effects formation crystal structure. Therefore exchange-correlation is able to have an effect on determination of crystal structure or its change and stability. This energy is subject to fluctuation range of electrons between conduction band and valance band or density of electrons which due to increase the entropy of system, via Gibss Energy .We investigated these factors: 1) Size of ions 2) Density of States 3) Range of inter atomic and pair-potential.
Directory of Open Access Journals (Sweden)
Alsaidi M. Altaher
2012-01-01
Full Text Available Classical wavelet thresholding methods suffer from boundary problems caused by the application of the wavelet transformations to a finite signal. As a result, large bias at the edges and artificial wiggles occur when the classical boundary assumptions are not satisfied. Although polynomial wavelet regression and local polynomial wavelet regression effectively reduce the risk of this problem, the estimates from these two methods can be easily affected by the presence of correlated noise and outliers, giving inaccurate estimates. This paper introduces two robust methods in which the effects of boundary problems, outliers, and correlated noise are simultaneously taken into account. The proposed methods combine thresholding estimator with either a local polynomial model or a polynomial model using the generalized least squares method instead of the ordinary one. A primary step that involves removing the outlying observations through a statistical function is considered as well. The practical performance of the proposed methods has been evaluated through simulation experiments and real data examples. The results are strong evidence that the proposed method is extremely effective in terms of correcting the boundary bias and eliminating the effects of outliers and correlated noise.
International Nuclear Information System (INIS)
Meiler, Jens; Peti, Wolfgang; Griesinger, Christian
2000-01-01
A program, DipoCoup, is presented that allows to search the protein data bank for proteins which have a three dimensional fold that is at least partially homologous to a protein under investigation. The three dimensional homology search uses secondary structure alignment based on chemical shifts and dipolar couplings or pseudocontact shifts for the three dimensional orientation of secondary structure elements. Moreover, the program offers additional tools for handling and analyzing dipolar couplings
Coherent effects on two-photon correlation and directional emission of two two-level atoms
International Nuclear Information System (INIS)
Ooi, C. H. Raymond; Kim, Byung-Gyu; Lee, Hai-Woong
2007-01-01
Sub- and superradiant dynamics of spontaneously decaying atoms are manifestations of collective many-body systems. We study the internal dynamics and the radiation properties of two atoms in free space. Interesting results are obtained when the atoms are separated by less than half a wavelength of the atomic transition, where the dipole-dipole interaction gives rise to new coherent effects, such as (a) coherence between two intermediate collective states, (b) oscillations in the two-photon correlation G (2) , (c) emission of two photons by one atom, and (d) the loss of directional correlation. We compare the population dynamics during the two-photon emission process with the dynamics of single-photon emission in the cases of a Λ and a V scheme. We compute the temporal correlation and angular correlation of two successively emitted photons using the G (2) for different values of atomic separation. We find antibunching when the atomic separation is a quarter wavelength λ/4. Oscillations in the temporal correlation provide a useful feature for measuring subwavelength atomic separation. Strong directional correlation between two emitted photons is found for atomic separation larger than a wavelength. We also compare the directionality of a photon spontaneously emitted by the two atoms prepared in phased-symmetric and phased-antisymmetric entangled states vertical bar ±> k 0 =e ik 0 ·r 1 vertical bar a 1 ,b 2 >±e ik 0 ·r 2 vertical bar b 1 ,a 2 > by a laser pulse with wave vector k 0 . Photon emission is directionally suppressed along k 0 for the phased-antisymmetric state. The directionality ceases for interatomic distances less than λ/2
Studies of electron correlation effects in multicharged ion atom collisions involving double capture
Energy Technology Data Exchange (ETDEWEB)
Stolterfoht, N.; Sommer, K.; Griffin, D.C.; Havener, C.C.; Huq, M.S.; Phaneuf, R.A.; Swenson, J.K.; Meyer, F.W.
1988-01-01
We review measurements of L-Coster Kronig and Auger electron production in slow, multicharged collision systems to study electron correlation effects in the process of double electron capture. The n/sup /minus/3/ law was confirmed for the production of the Coster-Kronig configurations 1s/sup 2/2pn/ell/ (n greater than or equal to 6) in O/sup 6 +/ + He collisions. Enhancement of high angular momentum /ell/ in specific 1s/sup 2/2pn/ell/ configurations was observed by means of high-resolution measurements of the Coster-Kronig lines. The importance of electron correlation effects in couplings of potential energy curves leading to the 1s/sup 2/2pn/ell/ configurations is verified by means of Landau-Zener model calculations. 32 refs., 4 figs.
Studies of electron correlation effects in multicharged ion atom collisions involving double capture
International Nuclear Information System (INIS)
Stolterfoht, N.; Sommer, K.; Griffin, D.C.; Havener, C.C.; Huq, M.S.; Phaneuf, R.A.; Swenson, J.K.; Meyer, F.W.
1988-01-01
We review measurements of L-Coster Kronig and Auger electron production in slow, multicharged collision systems to study electron correlation effects in the process of double electron capture. The n/sup /minus/3/ law was confirmed for the production of the Coster-Kronig configurations 1s 2 2pn/ell/ (n ≥ 6) in O 6+ + He collisions. Enhancement of high angular momentum /ell/ in specific 1s 2 2pn/ell/ configurations was observed by means of high-resolution measurements of the Coster-Kronig lines. The importance of electron correlation effects in couplings of potential energy curves leading to the 1s 2 2pn/ell/ configurations is verified by means of Landau-Zener model calculations. 32 refs., 4 figs
GW correlation effects on plutonium quasiparticle energies: Changes in crystal-field splitting
DEFF Research Database (Denmark)
Chantis, A.N.; Albers, R.C.; Svane, Axel
2009-01-01
We present results for the electronic structure of plutonium by using a recently developed quasiparticle self-consistent GW method (QSGW). We consider a paramagnetic solution without spin-orbit interaction as a function of volume for the face-centred cubic (fcc) unit cell. We span unit-cell volumes...... ranging from 10% greater than the equilibrium volume of the δ phase to 90% of the equivalent for the α phase of Pu. The selfconsistent GW quasiparticle energies are compared to those obtained within the Local Density Approximation (LDA). The goal of the calculations is to understand systematic trends...... in the effects of electronic correlations on the quasiparticle energy bands of Pu as a function of the localisation of the f orbitals. We show that correlation effects narrow the f bands in two significantly different ways. Besides the expected narrowing of individual f bands (flatter dispersion), we find...
Directory of Open Access Journals (Sweden)
Meyer Karin
2001-11-01
Full Text Available Abstract A random regression model for the analysis of "repeated" records in animal breeding is described which combines a random regression approach for additive genetic and other random effects with the assumption of a parametric correlation structure for within animal covariances. Both stationary and non-stationary correlation models involving a small number of parameters are considered. Heterogeneity in within animal variances is modelled through polynomial variance functions. Estimation of parameters describing the dispersion structure of such model by restricted maximum likelihood via an "average information" algorithm is outlined. An application to mature weight records of beef cow is given, and results are contrasted to those from analyses fitting sets of random regression coefficients for permanent environmental effects.
Directory of Open Access Journals (Sweden)
Klaus Banert
2014-09-01
Full Text Available Cyclooctyne and cycloocten-5-yne undergo, at room temperature, a 1,3-dipolar cycloaddition with dialkyl acetylenedicarboxylates 1a,b to generate furan-derived short-lived intermediates 2, which can be trapped by two additional equivalents of 1a,b or alternatively by methanol, phenol, water or aldehydes to yield polycyclic products 3b–d, orthoesters 4a–c, ketones 5 or epoxides 6a,b, respectively. Treatment of bis(trimethylsilyl acetylenedicarboxylate (1c with cyclooctyne leads to the ketone 7 via retro-Brook rearrangement of the dipolar intermediate 2c. In all cases, the products are formed with perfect atom economy.
International Nuclear Information System (INIS)
Zhang Aixia; Xue Jukui
2012-01-01
We propose a scheme to reveal the interplay between dipole–dipole interaction (DDI), inter-level coupling and macroscopic phase transitions in dipolar condensates. By considering a macroscopic sample of dipolar bosons in triple-well potentials, DDI-induced coupling between the inter-level physics and the macroscopic phase transitions is presented. When the DDI exceeds certain thresholds, the degeneracy of the two lowest energy levels and the excitation of new eigenstates occur, respectively. Interestingly, these thresholds give the boundaries of various quantum phase transitions. That is, the quantum phase transitions are the consequence of the levels' degeneracy and the new eigenstates' excitation. Furthermore, DDI-induced long-range macroscopic Josephson oscillations are observed and long-range coherent quantum transportation is achieved. Our results give clear proof of the interplay between the multi-level physics and quantum phase transitions, and also provide a way for designing the long-range coherent quantum transportation. (paper)
Energy Technology Data Exchange (ETDEWEB)
Pochapsky, Thomas C., E-mail: pochapsk@brandeis.edu; Pochapsky, Susan S.; Ju Tingting [Brandeis University, Department of Chemistry (United States); Hoefler, Chris [Brandeis University, Department of Biochemistry (United States); Liang Jue [Brandeis University, Department of Chemistry (United States)
2006-02-15
Acireductone dioxygenase (ARD) from Klebsiella ATCC 8724 is a metalloenzyme that is capable of catalyzing different reactions with the same substrates (acireductone and O{sub 2}) depending upon the metal bound in the active site. A model for the solution structure of the paramagnetic Ni{sup 2+}-containing ARD has been refined using residual dipolar couplings (RDCs) measured in two media. Additional dihedral restraints based on chemical shift (TALOS) were included in the refinement, and backbone structure in the vicinity of the active site was modeled from a crystallographic structure of the mouse homolog of ARD. The incorporation of residual dipolar couplings into the structural refinement alters the relative orientations of several structural features significantly, and improves local secondary structure determination. Comparisons between the solution structures obtained with and without RDCs are made, and structural similarities and differences between mouse and bacterial enzymes are described. Finally, the biological significance of these differences is considered.
Li, H.; Guo, L.; Zhou, M.; Cheng, Q.; Yu, X.; Huang, S.; Pang, Y.
2017-12-01
In this paper, we report the observation of the off-equatorial depolarization front structures by Magnetospheric Multiscale (MMS) mission at around X -8Re in the Earth's magnetotail. The dipolarization front was located at the flow rebounce region associated with a parallel electron beam. A large lower frequency electromagnetic wave fluctuation at the depolarization front is observed with the frequency near the ion gyrofrequency, left-handed polarization and a parallel propagation. A parallel current attributed to an electron beam coexist with the wave. The wave is believed to be generated by the current-driven ion cyclotron instability. Such instability is important because of its potential contribution to global electromagnetic energy conversion at the dipolarization front.
Van-der-Waals interaction of atoms in dipolar Rydberg states
Kamenski, Aleksandr A.; Mokhnenko, Sergey N.; Ovsiannikov, Vitaly D.
2018-02-01
An asymptotic expression for the van-der-Waals constant C 6( n) ≈ -0.03 n 12 K p ( x) is derived for the long-range interaction between two highly excited hydrogen atoms A and B in their extreme Stark states of equal principal quantum numbers n A = n B = n ≫ 1 and parabolic quantum numbers n 1(2) = n - 1, n 2(1) = m = 0 in the case of collinear orientation of the Stark-state dipolar electric moments and the interatomic axis. The cubic polynomial K 3( x) in powers of reciprocal values of the principal quantum number x = 1/ n and quadratic polynomial K 2( y) in powers of reciprocal values of the principal quantum number squared y = 1/ n 2 were determined on the basis of the standard curve fitting polynomial procedure from the calculated data for C 6( n). The transformation of attractive van-der-Waals force ( C 6 > 0) for low-energy states n < 23 into repulsive force ( C 6 < 0) for all higher-energy states of n ≥ 23, is observed from the results of numerical calculations based on the second-order perturbation theory for the operator of the long-range interaction between neutral atoms. This transformation is taken into account in the asymptotic formulas (in both cases of p = 2, 3) by polynomials K p tending to unity at n → ∞ ( K p (0) = 1). The transformation from low- n attractive van-der-Waals force into high- n repulsive force demonstrates the gradual increase of the negative contribution to C 6( n) from the lower-energy two-atomic states, of the A(B)-atom principal quantum numbers n'A(B) = n-Δ n (where Δ n = 1, 2, … is significantly smaller than n for the terms providing major contribution to the second-order series), which together with the states of n″B(A) = n+Δ n make the joint contribution proportional to n 12. So, the hydrogen-like manifold structure of the energy spectrum is responsible for the transformation of the power-11 asymptotic dependence C 6( n) ∝ n 11of the low-angular-momenta Rydberg states in many-electron atoms into the power
International Nuclear Information System (INIS)
Ding, X.; Sun, R.; Dong, C.; Koike, F.; Kato, D.; Murakami, I.; Sakaue, H.A.
2017-01-01
The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The study of W 54+ ion provide necessary reference data for the fusion plasma physics as tungsten was chosen to be used as the armour material of the divertor of the ITER project. The ground states [Ne]3s 2 3p 6 3d 2 and first excited states [Ne]3s 2 3p 5 3d 3 of W 54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W 54+ ion. (authors)
Electrostatic Screening and Charge Correlation Effects in Micellization of Ionic Surfactants
Jusufi, Arben
2009-05-07
We have used atomistic simulations to study the role of electrostatic screening and charge correlation effects in self-assembly processes of ionic surfactants into micelles. Specifically, we employed grand canonical Monte Carlo simulations to investigate the critical micelle concentration (cmc), aggregation number, and micellar shape in the presence of explicit sodium chloride (NaCl). The two systems investigated are cationic dodecyltrimethylammonium chloride (DTAC) and anionic sodium dodecyl sulfate (SDS) surfactants. Our explicit-salt results, obtained from a previously developed potential model with no further adjustment of its parameters, are in good agreement with experimental data for structural and thermodynamic micellar properties. We illustrate the importance of ion correlation effects by comparing these results with a Yukawa-type surfactant model that incorporates electrostatic screening implicitly. While the effect of salt on the cmc is well-reproduced even with the implicit Yukawa model, the aggregate size predictions deviate significantly from experimental observations at low salt concentrations. We attribute this discrepancy to the neglect of ion correlations in the implicit-salt model. At higher salt concentrations, we find reasonable agreement of the Yukawa model with experimental data. The crossover from low to high salt concentrations is reached when the electrostatic screening length becomes comparable to the headgroup size. © 2009 American Chemical Society.
Babchishin, Kelly M; Helmus, Leslie-Maaike
2016-09-01
Correlations are the simplest and most commonly understood effect size statistic in psychology. The purpose of the current paper was to use a large sample of real-world data (109 correlations with 60,415 participants) to illustrate the base rate dependence of correlations when applied to dichotomous or ordinal data. Specifically, we examined the influence of the base rate on different effect size metrics. Correlations decreased when the dichotomous variable did not have a 50 % base rate. The higher the deviation from a 50 % base rate, the smaller the observed Pearson's point-biserial and Kendall's tau correlation coefficients. In contrast, the relationship between base rate deviations and the more commonly proposed alternatives (i.e., polychoric correlation coefficients, AUCs, Pearson/Thorndike adjusted correlations, and Cohen's d) were less remarkable, with AUCs being most robust to attenuation due to base rates. In other words, the base rate makes a marked difference in the magnitude of the correlation. As such, when using dichotomous data, the correlation may be more sensitive to base rates than is optimal for the researcher's goals. Given the magnitude of the association between the base rate and point-biserial correlations (r = -.81) and Kendall's tau (r = -.80), we recommend that AUCs, Pearson/Thorndike adjusted correlations, Cohen's d, or polychoric correlations should be considered as alternate effect size statistics in many contexts.
Tan, R. P.; Carrey, J.; Respaud, M.
2014-12-01
Understanding the influence of dipolar interactions in magnetic hyperthermia experiments is of crucial importance for fine optimization of nanoparticle (NP) heating power. In this study we use a kinetic Monte Carlo algorithm to calculate hysteresis loops that correctly account for both time and temperature. This algorithm is shown to correctly reproduce the high-frequency hysteresis loop of both superparamagnetic and ferromagnetic NPs without any ad hoc or artificial parameters. The algorithm is easily parallelizable with a good speed-up behavior, which considerably decreases the calculation time on several processors and enables the study of assemblies of several thousands of NPs. The specific absorption rate (SAR) of magnetic NPs dispersed inside spherical lysosomes is studied as a function of several key parameters: volume concentration, applied magnetic field, lysosome size, NP diameter, and anisotropy. The influence of these parameters is illustrated and comprehensively explained. In summary, magnetic interactions increase the coercive field, saturation field, and hysteresis area of major loops. However, for small amplitude magnetic fields such as those used in magnetic hyperthermia, the heating power as a function of concentration can increase, decrease, or display a bell shape, depending on the relationship between the applied magnetic field and the coercive/saturation fields of the NPs. The hysteresis area is found to be well correlated with the parallel or antiparallel nature of the dipolar field acting on each particle. The heating power of a given NP is strongly influenced by a local concentration involving approximately 20 neighbors. Because this local concentration strongly decreases upon approaching the surface, the heating power increases or decreases in the vicinity of the lysosome membrane. The amplitude of variation reaches more than one order of magnitude in certain conditions. This transition occurs on a thickness corresponding to approximately
Glazyrin, K; Pourovskii, L V; Dubrovinsky, L; Narygina, O; McCammon, C; Hewener, B; Schünemann, V; Wolny, J; Muffler, K; Chumakov, A I; Crichton, W; Hanfland, M; Prakapenka, V B; Tasnádi, F; Ekholm, M; Aichhorn, M; Vildosola, V; Ruban, A V; Katsnelson, M I; Abrikosov, I A
2013-03-15
We discover that hcp phases of Fe and Fe(0.9)Ni(0.1) undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound velocity, c/a lattice parameter ratio, and Mössbauer center shift observed in our experiments. First-principles simulations within the dynamic mean field approach demonstrate that the transition is induced by many-electron effects. It is absent in one-electron calculations and represents a clear signature of correlation effects in hcp Fe.
International Nuclear Information System (INIS)
Harman, Z.; Artemyev, A.N.; Crespo Lopez-Urrutia, J.R.
2008-01-01
Dielectronic recombination and visible emission spectra are investigated theoretically and experimentally. Spectra of x-rays emitted from electron beam ion trap plasmas allow the study of correlation and quantum electrodynamic effects in relativistic few-body systems. In the visible range, exploring the forbidden M1 transitions in Be- and B-like argon ions provides one new insights into the relativistic modelling of isotope shift effects and extend the scope of bound-electron g factor measurements to few-electron ions. (author)
International Nuclear Information System (INIS)
Abe, Nobuyuki; Sagayama, Hajime; Arima, Taka-hisa; Taniguchi, Kouji
2011-01-01
The relationship between the magnetocapacitance effect and rotation direction of electric polarization (P) in a canted magnetic field has been investigated for multiferroic RMnO 3 (R = Tb 1-x Dy x and Eu 0.6 Y 0.4 ). We observed a clear correlation between the enhancement of the magnetocapacitance effect and the rotation direction of P in a P-flop transition. These results indicate that the mobility and the stability of the 90 deg. domain wall in a P-flop transition are dominated by its thickness.
Directory of Open Access Journals (Sweden)
Juha Lemmetyinen
2018-01-01
Full Text Available Current methods for retrieving SWE (snow water equivalent from space rely on passive microwave sensors. Observations are limited by poor spatial resolution, ambiguities related to separation of snow microstructural properties from the total snow mass, and signal saturation when snow is deep (~>80 cm. The use of SAR (Synthetic Aperture Radar at suitable frequencies has been suggested as a potential observation method to overcome the coarse resolution of passive microwave sensors. Nevertheless, suitable sensors operating from space are, up to now, unavailable. Active microwave retrievals suffer, however, from the same difficulties as the passive case in separating impacts of scattering efficiency from those of snow mass. In this study, we explore the potential of applying active (radar and passive (radiometer microwave observations in tandem, by using a dataset of co-incident tower-based active and passive microwave observations and detailed in situ data from a test site in Northern Finland. The dataset spans four winter seasons with daily coverage. In order to quantify the temporal variability of snow microstructure, we derive an effective correlation length for the snowpack (treated as a single layer, which matches the simulated microwave response of a semi-empirical radiative transfer model to observations. This effective parameter is derived from radiometer and radar observations at different frequencies and frequency combinations (10.2, 13.3 and 16.7 GHz for radar; 10.65, 18.7 and 37 GHz for radiometer. Under dry snow conditions, correlations are found between the effective correlation length retrieved from active and passive measurements. Consequently, the derived effective correlation length from passive microwave observations is applied to parameterize the retrieval of SWE using radar, improving retrieval skill compared to a case with no prior knowledge of snow-scattering efficiency. The same concept can be applied to future radar
Decreasing Distortion Energies without Strain: Diazo-Selective 1,3-Dipolar Cycloadditions.
Gold, Brian; Aronoff, Matthew R; Raines, Ronald T
2016-07-15
The diazo group has attributes that complement those of the azido group for applications in chemical biology. Here, we use computational analyses to provide insights into the chemoselectivity of the diazo group in 1,3-dipolar cycloadditions. Dipole distortion energies are responsible for ∼80% of the overall energetic barrier for these reactions. Here, we show that diazo compounds, unlike azides, provide an opportunity to decrease that barrier substantially without introducing strain into the dipolarophile. The ensuing rate enhancement is due to the greater nucleophilic character of a diazo group compared to that of an azido group, which can accommodate decreased distortion energies without predistortion. The tuning of distortion energies with substituents in a diazo compound or dipolarophile can enhance reactivity and selectivity in a predictable manner. Notably, these advantages of diazo groups are amplified in water. Our findings provide a theoretical framework that can guide the design and application of both diazo compounds and azides in "orthogonal" contexts, especially for biological investigations.
Differential Membrane Dipolar Orientation Induced by Acute and Chronic Cholesterol Depletion.
Sarkar, Parijat; Chakraborty, Hirak; Chattopadhyay, Amitabha
2017-06-30
Cholesterol plays a crucial role in cell membrane organization, dynamics and function. Depletion of cholesterol represents a popular approach to explore cholesterol-sensitivity of membrane proteins. An emerging body of literature shows that the consequence of membrane cholesterol depletion often depends on the actual process (acute or chronic), although the molecular mechanism underlying the difference is not clear. Acute depletion, using cyclodextrin-type carriers, is faster relative to chronic depletion, in which inhibitors of cholesterol biosynthesis are used. With the overall goal of addressing molecular differences underlying these processes, we monitored membrane dipole potential under conditions of acute and chronic cholesterol depletion in CHO-K1 cells, using a voltage-sensitive fluorescent dye in dual wavelength ratiometric mode. Our results show that the observed membrane dipole potential exhibits difference under acute and chronic cholesterol depletion conditions, even when cholesterol content was identical. To the best of our knowledge, these results provide, for the first time, molecular insight highlighting differences in dipolar reorganization in these processes. A comprehensive understanding of processes in which membrane cholesterol gets modulated would provide novel insight in its interaction with membrane proteins and receptors, thereby allowing us to understand the role of cholesterol in cellular physiology associated with health and disease.
Independent alignment of RNA for dynamic studies using residual dipolar couplings
Energy Technology Data Exchange (ETDEWEB)
Bardaro, Michael F.; Varani, Gabriele, E-mail: varani@chem.washington.edu [University of Washington, Department of Chemistry (United States)
2012-09-15
Molecular motion and dynamics play an essential role in the biological function of many RNAs. An important source of information on biomolecular motion can be found in residual dipolar couplings which contain dynamics information over the entire ms-ps timescale. However, these methods are not fully applicable to RNA because nucleic acid molecules tend to align in a highly collinear manner in different alignment media. As a consequence, information on dynamics that can be obtained with this method is limited. In order to overcome this limitation, we have generated a chimeric RNA containing both the wild type TAR RNA, the target of our investigation of dynamics, as well as the binding site for U1A protein. When U1A protein was bound to the portion of the chimeric RNA containing its binding site, we obtained independent alignment of TAR by exploiting the physical chemical characteristics of this protein. This technique can allow the extraction of new information on RNA dynamics, which is particularly important for time scales not covered by relaxation methods where important RNA motions occur.
Cluster-cluster aggregation of Ising dipolar particles under thermal noise
Suzuki, Masaru
2009-08-14
The cluster-cluster aggregation processes of Ising dipolar particles under thermal noise are investigated in the dilute condition. As the temperature increases, changes in the typical structures of clusters are observed from chainlike (D1) to crystalline (D2) through fractal structures (D1.45), where D is the fractal dimension. By calculating the bending energy of the chainlike structure, it is found that the transition temperature is associated with the energy gap between the chainlike and crystalline configurations. The aggregation dynamics changes from being dominated by attraction to diffusion involving changes in the dynamic exponent z=0.2 to 0.5. In the region of temperature where the fractal clusters grow, different growth rates are observed between charged and neutral clusters. Using the Smoluchowski equation with a twofold kernel, this hetero-aggregation process is found to result from two types of dynamics: the diffusive motion of neutral clusters and the weak attractive motion between charged clusters. The fact that changes in structures and dynamics take place at the same time suggests that transitions in the structure of clusters involve marked changes in the dynamics of the aggregation processes. © 2009 The American Physical Society.
Nanoscale smoothing and the analysis of interfacial charge and dipolar densities
International Nuclear Information System (INIS)
Junquera, Javier; Cohen, Morrel H; Rabe, Karin M
2007-01-01
The interface properties of interest in multilayers include interfacial charge densities, dipole densities, band offsets, and screening lengths, among others. Most such properties are inaccessible to direct measurements, but are key to understanding the physics of the multilayers. They are contained within first-principles electronic structure computations but are buried within the vast amount of quantitative information those computations generate. Thus far, they have been extracted from the numerical data by heuristic nanosmoothing procedures which do not necessarily provide results independent of the smoothing process. In the present paper we develop the theory of nanosmoothing, establishing procedures for both unpolarized and polarized systems which yield interfacial charge and dipole densities and band offsets invariant to the details of the smoothing procedures when the criteria we have established are met. We show also that dipolar charge densities, i.e. the densities of charge transferred across the interface, and screening lengths are not invariant. We illustrate our procedure with a toy model in which real, transversely averaged charge densities are replaced by sums of Gaussians. (topical review)
Formation of classical crystals of dipolar particles in a helical geometry
International Nuclear Information System (INIS)
Pedersen, J K; Fedorov, D V; Jensen, A S; Zinner, N T
2014-01-01
We consider crystal formation of particles with dipole–dipole interactions that are confined to move in a one-dimensional helical geometry with their dipole moments oriented along the symmetry axis of the confining helix. The stable classical lowest-energy configurations are found to be chain structures for a large range of pitch-to-radius ratios for a relatively low density of dipoles and a moderate total number of particles. The classical normal mode spectra support the chain interpretation through both structure and distinct degeneracies, depending discretely on the number of dipoles per revolution. A larger total number of dipoles leads to a clusterization where the dipolar chains move closer to each other. This implies a change in the local density and the emergence of two length scales, one for the cluster size and one for the inter-cluster distance along the helix. Starting from three dipoles per revolution, this implies a breaking of the initial periodicity to form a cluster of two chains close together and a third chain removed from the cluster. This is driven by the competition between in-chain and out-of-chain interactions, or alternatively by the side-by-side repulsion and the head-to-tail attraction in the system. The speed of sound propagates along the chains. It is independent of the number of chains, although it does depend on the geometry. (paper)
On the Acceleration and Anisotropy of Ions Within Magnetotail Dipolarizing Flux Bundles
Zhou, Xu-Zhi; Runov, Andrei; Angelopoulos, Vassilis; Artemyev, Anton V.; Birn, Joachim
2018-01-01
Dipolarizing flux bundles (DFBs), earthward propagating structures with enhanced northward magnetic field Bz, are usually believed to carry a distinctly different plasma population from that in the ambient magnetotail plasma sheet. The ion distribution functions within the DFB, however, have been recently found to be largely controlled by the ion adiabaticity parameter κ in the ambient plasma sheet outside the DFB. According to these observations, the ambient κ values of 2-3 usually correspond to a strong perpendicular anisotropy of suprathermal ions within the DFB, whereas for lower κ values the DFB ions become more isotropic. Here we utilize a simple, test particle model to explore the nature of the anisotropy and its dependence on the ambient κ values. We find that the anisotropy originates from successive ion reflections and reentries to the DFB, during which the ions are consecutively accelerated in the perpendicular direction by the DFB-associated electric field. This consecutive acceleration may be interrupted, however, when magnetic field lines are highly curved in the ambient plasma sheet. In this case, the ion trajectories become stochastic outside the DFB, which makes the reflected ions less likely to return to the DFB for another cycle of acceleration; as a consequence, the perpendicular ion anisotropy does not appear. Given that the DFB ions are a free energy source for instabilities when they are injected toward Earth, our simple model (that reproduces most observational features on the anisotropic DFB ion distributions) may shed new lights on the coupling process between magnetotail and inner magnetosphere.
Measurement of imino {sup 1}H-{sup 1}H residual dipolar couplings in RNA
Energy Technology Data Exchange (ETDEWEB)
Latham, Michael P. [University of Toronto, Department of Molecular Genetics (Canada); Pardi, Arthur [University of Colorado, Department of Chemistry and Biochemistry, 215 UCB (United States)], E-mail: arthur.pardi@colorado.edu
2009-02-15
Imino {sup 1}H-{sup 15}N residual dipolar couplings (RDCs) provide additional structural information that complements standard {sup 1}H-{sup 1}H NOEs leading to improvements in both the local and global structure of RNAs. Here, we report measurement of imino {sup 1}H-{sup 1}H RDCs for the Iron Responsive Element (IRE) RNA and native E. coli tRNA{sup Val} using a BEST-Jcomp-HMQC2 experiment. {sup 1}H-{sup 1}H RDCs are observed between the imino protons in G-U wobble base pairs and between imino protons on neighboring base pairs in both RNAs. These imino {sup 1}H-{sup 1}H RDCs complement standard {sup 1}H-{sup 15}N RDCs because the {sup 1}H-{sup 1}H vectors generally point along the helical axis, roughly perpendicular to {sup 1}H-{sup 15}N RDCs. The use of longitudinal relaxation enhancement increased the signal-to-noise of the spectra by {approx}3.5-fold over the standard experiment. The ability to measure imino {sup 1}H-{sup 1}H RDCs offers a new restraint, which can be used in NMR domain orientation and structural studies of RNAs.
Dipolar interaction induced band gaps and flat modes in surface-modulated magnonic crystals
Gallardo, R. A.; Schneider, T.; Roldán-Molina, A.; Langer, M.; Fassbender, J.; Lenz, K.; Lindner, J.; Landeros, P.
2018-04-01
Theoretical results for the magnetization dynamics of a magnonic crystal formed by grooves on the surface of a ferromagnetic film, called a surface-modulated magnonic crystal, are presented. For such a system, the role of the periodic dipolar field induced by the geometrical modulation is addressed by using the plane-wave method. The results reveal that, under the increasing of the depth of the grooves, zones with magnetizing and demagnetizing fields act on the system in such a way that magnonic band gaps are observed in both Damon-Eshbach and backward volume geometries. Particularly, in the backward volume configuration, high-frequency band gaps and low-frequency flat modes are obtained. By taking into account the properties of the internal field induced by the grooves, the flattening of the modes and their shift towards low frequencies are discussed and explained. To test the validity of the model, the theoretical results of this work are confirmed by micromagnetic simulations, and good agreement between both methods is achieved. The theoretical model allows for a detailed understanding of the physics underlying these kinds of systems, thereby providing an outlook for potential applications on magnonic devices.
Magnetic history dependence of metastable states in thin films with dipolar interactions
International Nuclear Information System (INIS)
Iglesias, Oscar; Labarta, Amilcar
2000-01-01
We present the results of a Monte Carlo simulation of the ground state and magnetic relaxation of a model of a thin film consisting of a two-dimensional square lattice of Heisenberg spins with perpendicular anisotropy K, exchange J and long-range dipolar interactions g. We have studied the ground state configurations of this system for a wide range of the interaction parameters J/g, K/g by means of the simulated annealing procedure, showing that the model is able to reproduce the different magnetic configurations found in real samples. We have found the existence of a certain range of K/g, J/g values for which in-plane and out-of-plane configurations are quasi-degenerated in energy. We show that when a system in this region of parameters is perturbed by an external force that is subsequently removed, different kinds of ordering may be induced depending on the followed procedure. In particular, simulations of relaxations from saturation under an AC demagnetizing field or in zero field are in qualitative agreement with recent experiments on epitaxial and granular alloy thin films, which show a wide variety of magnetic patterns depending on their magnetic history
International Nuclear Information System (INIS)
Contessa, Gian Marco; Orsale, Maria; Melino, Sonia; Torre, Vincent; Paci, Maurizio; Desideri, Alessandro; Cicero, Daniel O.
2005-01-01
The NMR high-resolution structure of calmodulin complexed with a fragment of the olfactory cyclic-nucleotide gated channel is described. This structure shows features that are unique for this complex, including an active role of the linker connecting the N- and C-lobes of calmodulin upon binding of the peptide. Such linker is not only involved in the formation of an hydrophobic pocket to accommodate a bulky peptide residue, but it also provides a positively charged region complementary to a negative charge of the target. This complex of calmodulin with a target not belonging to the kinase family was used to test the residual dipolar coupling (RDC) approach for the determination of calmodulin binding modes to peptides. Although the complex here characterized belongs to the (1--14) family, high Q values were obtained with all the 1:1 complexes for which crystalline structures are available. Reduction of the RDC data set used for the correlation analysis to structured regions of the complex allowed a clear identification of the binding mode. Excluded regions comprise calcium binding loops and loops connecting the EF-hand motifs
Champagne, Pier Alexandre; Houk, K N
2017-10-20
The geometries, stabilities, and 1,3-dipolar cycloaddition reactivities of 24 mesoionic azomethine ylides and imines were investigated using density functional theory calculations at the M06-2X/6-311+G-(d,p)/M06-2X/6-31G-(d) level. The computed structures highlight how the commonly used "aromatic" resonance form should be replaced by two more accurate resonance structures. Stabilities of the dipoles were assessed by various homodesmotic schemes and are consistent with these compounds being nonaromatic. The activation free energies with ethylene or acetylene range from 11.8 to 36.6 kcal/mol. Within each dipole type, the predicted cycloaddition reactivities correlate with the reaction energies and the resonance stabilization energies provided by the various substituents. Endocyclic (X) heteroatoms increase the reactivity of the 1,3-dipoles in the order of O > NH ≅ S, whereas exocyclic (Y) substituents increase it in the order of CH 2 > NH > O > S. Distortion/interaction analysis indicated that the difference in reactivity between differently substituted 1,3-dipoles is driven by distortion, whereas the difference between azomethine ylides and imines is related to lower interaction energies of imines with the dipolarophiles.
Correlations in double parton distributions: perturbative and non-perturbative effects
Energy Technology Data Exchange (ETDEWEB)
Rinaldi, Matteo; Scopetta, Sergio [Dipartimento di Fisica e Geologia, Università degli Studi di Perugia andIstituto Nazionale di Fisica Nucleare, Sezione di Perugia, via A. Pascoli, I-06123 Perugia (Italy); Traini, Marco [Institut de Physique Théorique CEA-Saclay, F-91191 Gif-sur-Yvette (France); INFN - TIFPA, Dipartimento di Fisica, Università degli Studi di Trento,Via Sommarive 14, I-38123 Povo (Trento) (Italy); Vento, Vicente [Departament de Física Teòrica, Universitat de València and Institut de Física Corpuscular,Consejo Superior de Investigaciones Científicas, 46100 Carrer del Dr. Moliner 50 València (Spain)
2016-10-12
The correct description of Double Parton Scattering (DPS), which represents a background in several channels for the search of new Physics at the LHC, requires the knowledge of double parton distribution functions (dPDFs). These quantities represent also a novel tool for the study of the three-dimensional nucleon structure, complementary to the possibilities offered by electromagnetic probes. In this paper we analyze dPDFs using Poincaré covariant predictions obtained by using a Light-Front constituent quark model proposed in a recent paper, and QCD evolution. We study to what extent factorized expressions for dPDFs, which neglect, at least in part, two-parton correlations, can be used. We show that they fail in reproducing the calculated dPDFs, in particular in the valence region. Actually measurable processes at existing facilities occur at low longitudinal momenta of the interacting partons; to have contact with these processes we have analyzed correlations between pairs of partons of different kind, finding that, in some cases, they are strongly suppressed at low longitudinal momenta, while for other distributions they can be sizeable. For example, the effect of gluon-gluon correlations can be as large as 20 %. We have shown that these behaviors can be understood in terms of a delicate interference of non-perturbative correlations, generated by the dynamics of the model, and perturbative ones, generated by the model independent evolution procedure. Our analysis shows that at LHC kinematics two-parton correlations can be relevant in DPS, and therefore we address the possibility to study them experimentally.
Isotopic spin effect in three-pion Bose-Einstein correlations
International Nuclear Information System (INIS)
Suzuki, N.
1998-01-01
Bose-Einstein (BE) correlations of identical particles in multiple production processes are extensively studied last years because they give an information on the space-time region of interaction. The basic effect is analogous to Hanbury-Brown - Twiss (HBT) interferometry in optics and suggests statistical production of the particles (mainly π mesons). The possible presence of coherent pionic component (for example, in the case of disoriented chiral condensate formation) modifies the HBT effect. On the other hand, the pions (contrary to photons) are subject to isotopic spin (and electric charge) conservation and so they can not be emitted independently. While the corresponding change of the statistical part is not essential for large multiplicities, the coherent part changes substantially when isotopic spin conservation is taken into account. BE correlations of the pions in the presence of both statistical and coherent components are reconsidered taking into account isotopic spin conservation in the coherent part. That will result in appearance of additional contribution to pionic correlation function. (author)
The effects of local correlations on the electronic structure of FeSe
Watson, Matthew; Kim, Timur; Haghighirad, Amir; Coldea, Amalia
FeSe is structurally the simplest of Fe-based superconductors, but its complex and unique properties pose important theoretical questions. One important aspect of the physics of FeSe is the understanding of the strength and effects of electronic correlations. In order to explore this, we have performed angle-resolved photo-emission spectroscopy (ARPES) measurements on high quality bulk single crystals of FeSe over a wide range of binding energies, in different scattering geometries and with varying incident photon energies, analysing the quasiparticle renormalisations, scattering rates and degree of coherence. We find that FeSe exhibits moderately strong, orbital-dependent correlation effects which are understood to arise primarily due to local electron-electron interactions on the Fe sites. We conclude that electronic correlations constitute a key ingredient in understanding the electronic structure of FeSe. Part of this work was supported by EPSRC, UK (EP/I004475/1, EP/I017836/1). We thank Diamond Light Source for access to Beamline I05.
Correlation effects on spin-polarized electron-hole quantum bilayer
Energy Technology Data Exchange (ETDEWEB)
Saini, L. K., E-mail: drlalitsaini75@gmail.com; Sharma, R. O., E-mail: sharmarajesh0387@gmail.com [Department of Applied Physics, S. V. National Institute of Technology, Surat – 395 007 (India); Nayak, Mukesh G. [Department of Physics, Silvassa College (Silvassa Institute of Higher Learning), Silvassa 396 230 (India)
2016-05-06
We present a numerical calculation for the intra- and interlayer pair-correlation functions, g{sub ll’}(r), of spin-polarized electron-hole quantum bilayers at zero temperature. The calculations of g{sub ll’}(r) are performed by including electron correlations within the dynamical version of the self-consistent mean-field approximation of Singwi, Tosi, Land and Sjölander (qSTLS). Our study reveals that the critical layer density decreases (increases) due to the inclusion of finite width (mass-asymmetry) effect during the phase-transition from charge-density wave to Wigner crystal ground-state by yielding the pronounced oscillatory behavior ing{sub ll}(r). The results are compared with recent findings of spin-polarized electron-hole quantum bilayers with mass-symmetry and zero width effects. To highlight the importance of dynamical character of correlations, we have also compared our results with the STLS results.
Effect of superconducting correlation on the localization of quasiparticles in low dimensions
International Nuclear Information System (INIS)
Xiang, T.
1995-01-01
Localization lengths of superconducting quasiparticles λ s are evaluated and compared with the corresponding normal-state values λ n in one-dimensional (1D) and two-dimensional lattices. The effect of superconducting correlation on the localization of quasiparticles is generally stronger in an off-site pairing state than in an on-site pairing state. The modification of superconducting correlation to λ is strongly correlated with the density of states (DOS) of superconducting quasiparticles. λ s drops within the energy gap but is largely enhanced around energies where DOS peaks appear. For a gapless pairing state in 1D or a d-wave pairing state in 2D, λ s /λ n at the Fermi energy E F is of order 1 and determined purely by the value of gap parameter not by the random potential. For the d-wave pairing state, the localization effect is largely weakened compared with the corresponding normal state and quasiparticles with energies close to E F are more strongly localized than other low-energy quasiparticles
Small Fermi surfaces and strong correlation effects in Dirac materials with holography
Seo, Yunseok; Song, Geunho; Park, Chanyong; Sin, Sang-Jin
2017-10-01
Recent discovery of transport anomaly in graphene demonstrated that a system known to be weakly interacting may become strongly correlated if system parameter (s) can be tuned such that fermi surface is sufficiently small. We study the strong correlation effects in the transport coefficients of Dirac materials doped with magnetic impurity under the magnetic field using holographic method. The experimental data of magneto-conductivity are well fit by our theory, however, not much data are available for other transports of Dirac material in such regime. Therefore, our results on heat transport, thermo-electric power and Nernst coefficients are left as predictions of holographic theory for generic Dirac materials in the vicinity of charge neutral point with possible surface gap. We give detailed look over each magneto-transport observable and 3Dplots to guide future experiments.
International Nuclear Information System (INIS)
Poirier, M.
1997-01-01
Though one would expect that large-angular momentum doubly excited states exhibit weak electronic correlations, it is shown in this paper that a first-order perturbation theory ignoring such correlations may completely fail in predicting correct autoionization probabilities: quadrupolar transitions are poorly described by lowest-order perturbation theory, except for very large angular momenta. Inclusion of second-order dipole-dipole term considerably improves the accuracy of the method. This effect is computed using Coulomb Green's function in its analytical form, probably applied here for the first time to autoionization processes. Examples are given in barium for 5d j 5g [k[ states (j=3/2, 5/2) and for 5d 5/2 nl [k[ states with l > 4. (orig.)
Correlation effects on the nonmesonic weak decay of the Λ hyperon in nuclear matter
Robertson, N. J.; Dickhoff, W. H.
2005-08-01
The nonmesonic weak decay of a Λ hyperon is studied in nuclear matter. Special emphasis is placed on a consistent treatment of correlations introduced by the strong interaction on its weak counterpart. The latter is described by the exchange of mesons between the initial ΛN state and the final NN one. The weak decay is studied in terms of the weak self-energy, which allows a systematic evaluation of short-range and tensor correlation effects that are determined by a realistic hyperon-nucleon interaction. The admixture of ΣN components through the strong interaction is also included in the calculation of the Λ decay properties. Calculations for the ratio of the neutron-induced partial width to the corresponding proton-induced one, Γn/Γp, are discussed in connection with recent experimental results.
Shear Alfvén Wave with Quantum Exchange-Correlation Effects in Plasmas
Mir, Zahid; Jamil, M.; Rasheed, A.; Asif, M.
2017-09-01
The dust shear Alfvén wave is studied in three species dusty quantum plasmas. The quantum effects are incorporated through the Fermi degenerate pressure, tunneling potential, and in particular the exchange-correlation potential. The significance of exchange-correlation potential is pointed out by a graphical description of the dispersion relation, which shows that the exchange potential magnifies the phase speed. The low-frequency shear Alfvén wave is studied while considering many variables. The shear Alfvén wave gains higher phase speed at the range of small angles for the upper end of the wave vector spectrum. The increasing dust charge and the external magnetic field reflect the increasing tendency of phase speed. This study may explain many natural mechanisms associated with long wavelength radiations given in the summary.
An Improved Rank Correlation Effect Size Statistic for Single-Case Designs: Baseline Corrected Tau.
Tarlow, Kevin R
2017-07-01
Measuring treatment effects when an individual's pretreatment performance is improving poses a challenge for single-case experimental designs. It may be difficult to determine whether improvement is due to the treatment or due to the preexisting baseline trend. Tau- U is a popular single-case effect size statistic that purports to control for baseline trend. However, despite its strengths, Tau- U has substantial limitations: Its values are inflated and not bound between -1 and +1, it cannot be visually graphed, and its relatively weak method of trend control leads to unacceptable levels of Type I error wherein ineffective treatments appear effective. An improved effect size statistic based on rank correlation and robust regression, Baseline Corrected Tau, is proposed and field-tested with both published and simulated single-case time series. A web-based calculator for Baseline Corrected Tau is also introduced for use by single-case investigators.
Huang, Chen; Chi, Yu-Chieh
2017-12-01
The key element in Kohn-Sham (KS) density functional theory is the exchange-correlation (XC) potential. We recently proposed the exchange-correlation potential patching (XCPP) method with the aim of directly constructing high-level XC potential in a large system by patching the locally computed, high-level XC potentials throughout the system. In this work, we investigate the patching of the exact exchange (EXX) and the random phase approximation (RPA) correlation potentials. A major challenge of XCPP is that a cluster's XC potential, obtained by solving the optimized effective potential equation, is only determined up to an unknown constant. Without fully determining the clusters' XC potentials, the patched system's XC potential is "uneven" in the real space and may cause non-physical results. Here, we developed a simple method to determine this unknown constant. The performance of XCPP-RPA is investigated on three one-dimensional systems: H20, H10Li8, and the stretching of the H19-H bond. We investigated two definitions of EXX: (i) the definition based on the adiabatic connection and fluctuation dissipation theorem (ACFDT) and (ii) the Hartree-Fock (HF) definition. With ACFDT-type EXX, effective error cancellations were observed between the patched EXX and the patched RPA correlation potentials. Such error cancellations were absent for the HF-type EXX, which was attributed to the fact that for systems with fractional occupation numbers, the integral of the HF-type EXX hole is not -1. The KS spectra and band gaps from XCPP agree reasonably well with the benchmarks as we make the clusters large.
International Nuclear Information System (INIS)
Huang, Dong; Gao, Puzhen; Chen, Chong; Lan, Shu
2013-01-01
Highlights: • Most of the slip ratio models and the Lockhart–Martinelli parameter based models give similar results. • The drift flux void fraction models give relatively small values. • The effect of void fraction correlations on two-phase friction pressure drop is inconspicuous. • The effect of void fraction correlations on two-phase acceleration pressure drop is significant. - Abstract: The void fraction of water during flow boiling in vertical narrow rectangular channel is experimentally investigated. The void fraction is indirectly determined using the present experimental data with various void fraction correlations or models published in the open literature. The effects of mass flux, mass quality, system pressure and inlet subcooling on the void fraction and pressure drop are discussed in detail. In addition, comparison and discussion among the numerous void fraction correlations are carried out. The effect of void fraction correlations on two-phase pressure drop is presented as well. The results reveal that most of the slip ratio correlations and the Lockhart–Martinelli parameter based void fraction correlations have results close to each other at mass quality higher than 0.2. The drift flux void fraction correlations give small values which are incompatible with other models making it inapplicable for narrow rectangular channel. The alteration of void fraction correlations has an inconspicuous effect on two-phase frictional pressure drop, while an obvious effect on two-phase accelerational pressure drop during flow boiling in narrow rectangular channel
Effect of camera temperature variations on stereo-digital image correlation measurements
Pan, Bing
2015-11-25
In laboratory and especially non-laboratory stereo-digital image correlation (stereo-DIC) applications, the extrinsic and intrinsic parameters of the cameras used in the system may change slightly due to the camera warm-up effect and possible variations in ambient temperature. Because these camera parameters are generally calibrated once prior to measurements and considered to be unaltered during the whole measurement period, the changes in these parameters unavoidably induce displacement/strain errors. In this study, the effect of temperature variations on stereo-DIC measurements is investigated experimentally. To quantify the errors associated with camera or ambient temperature changes, surface displacements and strains of a stationary optical quartz glass plate with near-zero thermal expansion were continuously measured using a regular stereo-DIC system. The results confirm that (1) temperature variations in the cameras and ambient environment have a considerable influence on the displacements and strains measured by stereo-DIC due to the slightly altered extrinsic and intrinsic camera parameters; and (2) the corresponding displacement and strain errors correlate with temperature changes. For the specific stereo-DIC configuration used in this work, the temperature-induced strain errors were estimated to be approximately 30–50 με/°C. To minimize the adverse effect of camera temperature variations on stereo-DIC measurements, two simple but effective solutions are suggested.
Effect of camera temperature variations on stereo-digital image correlation measurements
Pan, Bing; Shi, Wentao; Lubineau, Gilles
2015-01-01
In laboratory and especially non-laboratory stereo-digital image correlation (stereo-DIC) applications, the extrinsic and intrinsic parameters of the cameras used in the system may change slightly due to the camera warm-up effect and possible variations in ambient temperature. Because these camera parameters are generally calibrated once prior to measurements and considered to be unaltered during the whole measurement period, the changes in these parameters unavoidably induce displacement/strain errors. In this study, the effect of temperature variations on stereo-DIC measurements is investigated experimentally. To quantify the errors associated with camera or ambient temperature changes, surface displacements and strains of a stationary optical quartz glass plate with near-zero thermal expansion were continuously measured using a regular stereo-DIC system. The results confirm that (1) temperature variations in the cameras and ambient environment have a considerable influence on the displacements and strains measured by stereo-DIC due to the slightly altered extrinsic and intrinsic camera parameters; and (2) the corresponding displacement and strain errors correlate with temperature changes. For the specific stereo-DIC configuration used in this work, the temperature-induced strain errors were estimated to be approximately 30–50 με/°C. To minimize the adverse effect of camera temperature variations on stereo-DIC measurements, two simple but effective solutions are suggested.
Ionospheric earthquake effects detection based on Total Electron Content (TEC) GPS Correlation
Sunardi, Bambang; Muslim, Buldan; Eka Sakya, Andi; Rohadi, Supriyanto; Sulastri; Murjaya, Jaya
2018-03-01
Advances in science and technology showed that ground-based GPS receiver was able to detect ionospheric Total Electron Content (TEC) disturbances caused by various natural phenomena such as earthquakes. One study of Tohoku (Japan) earthquake, March 11, 2011, magnitude M 9.0 showed TEC fluctuations observed from GPS observation network spread around the disaster area. This paper discussed the ionospheric earthquake effects detection using TEC GPS data. The case studies taken were Kebumen earthquake, January 25, 2014, magnitude M 6.2, Sumba earthquake, February 12, 2016, M 6.2 and Halmahera earthquake, February 17, 2016, M 6.1. TEC-GIM (Global Ionosphere Map) correlation methods for 31 days were used to monitor TEC anomaly in ionosphere. To ensure the geomagnetic disturbances due to solar activity, we also compare with Dst index in the same time window. The results showed anomalous ratio of correlation coefficient deviation to its standard deviation upon occurrences of Kebumen and Sumba earthquake, but not detected a similar anomaly for the Halmahera earthquake. It was needed a continous monitoring of TEC GPS data to detect the earthquake effects in ionosphere. This study giving hope in strengthening the earthquake effect early warning system using TEC GPS data. The method development of continuous TEC GPS observation derived from GPS observation network that already exists in Indonesia is needed to support earthquake effects early warning systems.
Pond, Mark J.; Errington, Jeffrey R.; Truskett, Thomas M.
2011-09-01
Partial pair-correlation functions of colloidal suspensions with continuous polydispersity can be challenging to characterize from optical microscopy or computer simulation data due to inadequate sampling. As a result, it is common to adopt an effective one-component description of the structure that ignores the differences between particle types. Unfortunately, whether this kind of simplified description preserves or averages out information important for understanding the behavior of the fluid depends on the degree of polydispersity and can be difficult to assess, especially when the corresponding multicomponent description of the pair correlations is unavailable for comparison. Here, we present a computer simulation study that examines the implications of adopting an effective one-component structural description of a polydisperse fluid. The square-well model that we investigate mimics key aspects of the experimental behavior of suspended colloids with short-range, polymer-mediated attractions. To characterize the partial pair-correlation functions and thermodynamic excess entropy of this system, we introduce a Monte Carlo sampling strategy appropriate for fluids with a large number of pseudo-components. The data from our simulations at high particle concentrations, as well as exact theoretical results for dilute systems, show how qualitatively different trends between structural order and particle attractions emerge from the multicomponent and effective one-component treatments, even with systems characterized by moderate polydispersity. We examine consequences of these differences for excess-entropy based scalings of shear viscosity, and we discuss how use of the multicomponent treatment reveals similarities between the corresponding dynamic scaling behaviors of attractive colloids and liquid water that the effective one-component analysis does not capture.
The effect of track load correlation on ground-borne vibration from railways
Ntotsios, Evangelos; Thompson, David; Hussein, Mohammed
2017-08-01
In predictions of ground-borne vibration from railways, it is generally assumed that the unevenness profile of the wheel and rail is fully correlated between the two rails and the two wheels of an axle. This leads to identical contact forces at the two rails and can allow further simplifications of the vehicle model, the track model and the track/ground interface conditions. In the present paper, the level of correlation of the track loading at the wheel/rail interface due to rail unevenness and its influence on predictions of ground vibration is investigated. The extent to which the unevenness of the two rails is correlated has been estimated from measurements of track geometry obtained with track recording vehicles for four different tracks. It was found that for wavelengths longer than about 3 m the unevenness of the two rails can be considered to be strongly correlated and in phase. To investigate the effect of this on ground vibration, an existing model expressed in the wavenumber-frequency domain is extended to include separate inputs on the two rails. The track is modelled as an infinite invariant linear structure resting on an elastic stratified half-space. This is excited by the gravitational loading of a passing train and the irregularity of the contact surfaces between the wheels and the rails. The railway model is developed in this work to be versatile so that it can account or discard the effect of load correlations on the two rails beside the effects of variation of the tractions across the width of the track-ground interface and the vehicle sprung mass, as well as the roll motion of the sleepers and the axle. A comparative analysis is carried out on the influence of these factors on the response predictions using numerical simulations. It is shown that, when determining the vibration in the free field, it is important to include in the model the traction variation across the track-ground interface and the non-symmetrical loading at the two rails that
Directory of Open Access Journals (Sweden)
Sonja Widmayer
2018-06-01
Full Text Available Background: Aggression in psychoses is of high clinical importance, and volumetric MRI techniques have been used to explore its structural brain correlates.Methods: We conducted a systematic review searching EMBASE, ScienceDirect, and PsycINFO through September 2017 using thesauri representing aggression, psychosis, and brain imaging. We calculated effect sizes for each study and mean Hedge's g for whole brain (WB volume. Methodological quality was established using the PRISMA checklist (PROSPERO: CRD42014014461.Results: Our sample consisted of 12 studies with 470 patients and 155 healthy controls (HC. After subtracting subjects due to cohort overlaps, 314 patients and 96 HC remained. Qualitative analyses showed lower volumes of WB, prefrontal regions, temporal lobe, hippocampus, thalamus and cerebellum, and higher volumes of lateral ventricles, amygdala, and putamen in violent vs. non-violent people with schizophrenia. In quantitative analyses, violent persons with schizophrenia exhibited a significantly lower WB volume than HC (p = 0.004, and also lower than non-violent persons with schizophrenia (p = 0.007.Conclusions: We reviewed evidence for differences in brain volume correlates of aggression in persons with schizophrenia. Our results point toward a reduced whole brain volume in violent as opposed to non-violent persons with schizophrenia. However, considerable sample overlap in the literature, lack of reporting of potential confounding variables, and missing research on affective psychoses limit our explanatory power. To permit stronger conclusions, further studies evaluating structural correlates of aggression in psychotic disorders are needed.
Magnetic states, correlation effects and metal-insulator transition in FCC lattice
Timirgazin, M. A.; Igoshev, P. A.; Arzhnikov, A. K.; Irkhin, V. Yu
2016-12-01
The ground-state magnetic phase diagram (including collinear and spiral states) of the single-band Hubbard model for the face-centered cubic lattice and related metal-insulator transition (MIT) are investigated within the slave-boson approach by Kotliar and Ruckenstein. The correlation-induced electron spectrum narrowing and a comparison with a generalized Hartree-Fock approximation allow one to estimate the strength of correlation effects. This, as well as the MIT scenario, depends dramatically on the ratio of the next-nearest and nearest electron hopping integrals {{t}\\prime}/t . In contrast with metallic state, possessing substantial band narrowing, insulator one is only weakly correlated. The magnetic (Slater) scenario of MIT is found to be superior over the Mott one. Unlike simple and body-centered cubic lattices, MIT is the first order transition (discontinuous) for most {{t}\\prime}/t . The insulator state is type-II or type-III antiferromagnet, and the metallic state is spin-spiral, collinear antiferromagnet or paramagnet depending on {{t}\\prime}/t . The picture of magnetic ordering is compared with that in the standard localized-electron (Heisenberg) model.
Kanjevac, Tatjana; Milovanovic, Marija; Volarevic, Vladislav; Lukic, Miodrag L; Arsenijevic, Nebojsa; Markovic, Dejan; Zdravkovic, Nebojsa; Tesic, Zivoslav; Lukic, Aleksandra
2012-01-01
Glass ionomer cements (GICs) are commonly used as restorative materials. Responses to GICs differ among cell types and it is therefore of importance to thoroughly investigate the influence of these restorative materials on pulp stem cells that are potential source for dental tissue regeneration. Eight biomaterials were tested: Fuji I, Fuji II, Fuji VIII, Fuji IX, Fuji Plus, Fuji Triage, Vitrebond and Composit. We compared their cytotoxic activity on human dental pulp stem cells (DPSC) and correlated this activity with the content of Fluoride, Aluminium and Strontium ions in their eluates. Elution samples of biomaterials were prepared in sterile tissue culture medium and the medium was tested for toxicity by an assay of cell survival/proliferation (MTT test) and apoptosis (Annexin V FITC Detection Kit). Concentrations of Fluoride, Aluminium and Strontium ions were tested by appropriate methods in the same eluates. Cell survival ranged between 79.62% (Fuji Triage) to 1.5% (Fuji Plus) and most dead DPSCs were in the stage of late apoptosis. Fluoride release correlated with cytotoxicity of GICs, while Aluminium and Strontium ions, present in significant amount in eluates of tested GICs did not. Fuji Plus, Vitrebond and Fuji VIII, which released fluoride in higher quantities than other GICs, were highly toxic to human DPSCs. Opposite, low levels of released fluoride correlated to low cytotoxic effect of Composit, Fuji I and Fuji Triage.
Effects of high-order correlations on personalized recommendations for bipartite networks
Liu, Jian-Guo; Zhou, Tao; Che, Hong-An; Wang, Bing-Hong; Zhang, Yi-Cheng
2010-02-01
In this paper, we introduce a modified collaborative filtering (MCF) algorithm, which has remarkably higher accuracy than the standard collaborative filtering. In the MCF, instead of the cosine similarity index, the user-user correlations are obtained by a diffusion process. Furthermore, by considering the second-order correlations, we design an effective algorithm that depresses the influence of mainstream preferences. Simulation results show that the algorithmic accuracy, measured by the average ranking score, is further improved by 20.45% and 33.25% in the optimal cases of MovieLens and Netflix data. More importantly, the optimal value λ depends approximately monotonously on the sparsity of the training set. Given a real system, we could estimate the optimal parameter according to the data sparsity, which makes this algorithm easy to be applied. In addition, two significant criteria of algorithmic performance, diversity and popularity, are also taken into account. Numerical results show that as the sparsity increases, the algorithm considering the second-order correlation can outperform the MCF simultaneously in all three criteria.
Widmayer, Sonja; Sowislo, Julia F; Jungfer, Hermann A; Borgwardt, Stefan; Lang, Undine E; Stieglitz, Rolf D; Huber, Christian G
2018-01-01
Background: Aggression in psychoses is of high clinical importance, and volumetric MRI techniques have been used to explore its structural brain correlates. Methods: We conducted a systematic review searching EMBASE, ScienceDirect, and PsycINFO through September 2017 using thesauri representing aggression, psychosis, and brain imaging. We calculated effect sizes for each study and mean Hedge's g for whole brain (WB) volume. Methodological quality was established using the PRISMA checklist (PROSPERO: CRD42014014461). Results: Our sample consisted of 12 studies with 470 patients and 155 healthy controls (HC). After subtracting subjects due to cohort overlaps, 314 patients and 96 HC remained. Qualitative analyses showed lower volumes of WB, prefrontal regions, temporal lobe, hippocampus, thalamus and cerebellum, and higher volumes of lateral ventricles, amygdala, and putamen in violent vs. non-violent people with schizophrenia. In quantitative analyses, violent persons with schizophrenia exhibited a significantly lower WB volume than HC ( p = 0.004), and also lower than non-violent persons with schizophrenia ( p = 0.007). Conclusions: We reviewed evidence for differences in brain volume correlates of aggression in persons with schizophrenia. Our results point toward a reduced whole brain volume in violent as opposed to non-violent persons with schizophrenia. However, considerable sample overlap in the literature, lack of reporting of potential confounding variables, and missing research on affective psychoses limit our explanatory power. To permit stronger conclusions, further studies evaluating structural correlates of aggression in psychotic disorders are needed.
DEFF Research Database (Denmark)
Ade, P. A R; Aghanim, N.; Arnaud, M.
2016-01-01
We use Planck data to detect the cross-correlation between the thermal Sunyaev-Zeldovich (tSZ) effect and the infrared emission from the galaxies that make up the the cosmic infrared background (CIB). We first perform a stacking analysis towards Planck-confirmed galaxy clusters. We detect infrared...... that infrared galaxies in the outskirts of clusters have higher infrared flux than cluster-core galaxies. We also study the cross-correlation between tSZ and CIB anisotropies, following three alternative approaches based on power spectrum analyses: (i) using a catalogue of confirmed clusters detected in Planck...... data; (ii) using an all-sky tSZ map built from Planck frequency maps; and (iii) using cross-spectra between Planck frequency maps. With the three different methods, we detect the tSZ-CIB cross-power spectrum at significance levels of (i) 6σ; (ii) 3σ; and (iii) 4σ. We model the tSZ-CIB cross-correlation...