Spontaneous crystalline-to-amorphous phase transformation of organic or medicinal compounds in the presence of porous media, part 2: amorphization capacity and mechanisms of interaction.

PubMed

Qian, Ken K; Suib, Steven L; Bogner, Robin H

2011-11-01

Amorphization of crystalline compounds using mesoporous media is a promising technique to improve the solubility and dissolution rate of poorly soluble compounds. The objective of this paper is to determine the capacity of amorphization and understand the mechanisms of phase transformation. Commercial grades of mesoporous silicon dioxide (SiO(2)) samples (5- to 30-nm mean pore diameters) with either constant surface area or constant pore volume were used. The amorphization capacity of naphthalene was not proportional to either the surface area or the pore volume measured using adsorption chambers. Instead, the amorphization capacity correlated with surface curvature, that is, the smaller the pore diameter and the higher the surface curvature, the greater the amorphization capacity. The change in surface chemistry due to a highly curved surface may be responsible for the enhanced amorphization capacity as well. The amorphization of crystalline compounds was facilitated through capillary condensation, with the decrease in pore volume as the direct experimental evidence. The amorphization capacity was also enhanced by the dipole-dipole or dipole-induced dipole interaction, promoted by the hydroxyl groups on the surface of SiO(2). The enthalpy of vapor-solid condensation of crystalline compounds was a useful indicator to predict the rank order of amorphization capacity. Copyright © 2011 Wiley-Liss, Inc.

Spontaneous light emission in complex nanostructures

NASA Astrophysics Data System (ADS)

Blanco, L. A.; García de Abajo, F. J.

2004-05-01

The spontaneous emission of an excited atom surrounded by different materials is studied in the framework of a semiclassical approach, where the transition dipole moment acts as the source of the emission field. The emission in the presence of semiinfinite media, metallic nanorings, spheres, gratings, and other complex geometries is investigated. Strong emission enhancement effects are obtained in some of these geometries associated to the excitation of plasmons (e.g., in nanorings or spheres). Furthermore, the emission is shown to take place only along narrow angular distributions when the atom is located inside a low-index dielectric and near its planar surface, or when metallic nanogratings are employed at certain resonant wave lengths. In particular, axially symmetric gratings made of real silver metal are considered, and both emission rate enhancement and focused far-field emission are achieved simultaneously when the grating is decorated with further nanostructures.

Phosphorescence quenching of fac-tris(2-phenylpyridyl)iridium(iii) complexes in thin films on dielectric surfaces.

PubMed

Ribierre, J C; Ruseckas, A; Staton, S V; Knights, K; Cumpstey, N; Burn, P L; Samuel, I D W

2016-02-07

We study the influence of the film thickness on the time-resolved phosphorescence and the luminescence quantum yield of fac-tris(2-phenylpyridyl)iridium(iii) [Ir(ppy)3]-cored dendrimers deposited on dielectric substrates. A correlation is observed between the surface quenching velocity and the quenching rate by intermolecular interactions in the bulk film, which suggests that both processes are controlled by dipole-dipole interactions between Ir(ppy)3 complexes at the core of the dendrimers. It is also found that the surface quenching velocity decreases as the refractive index of the substrate is increased. This can be explained by partial screening of dipole-dipole interactions by the dielectric environment.

Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex.

PubMed

Kamarchik, Eugene; Toffoli, Daniele; Christiansen, Ove; Bowman, Joel M

2014-02-05

We present full-dimensional, ab initio potential energy and dipole moment surfaces for the F(-)(H2O) complex. The potential surface is a permutationally invariant fit to 16,114 coupled-cluster single double (triple)/aVTZ energies, while the dipole surface is a covariant fit to 11,395 CCSD(T)/aVTZ dipole moments. Vibrational self-consistent field/vibrational configuration interaction (VSCF/VCI) calculations of energies and the IR-spectrum are presented both for F(-)(H2O) and for the deuterated analog, F(-)(D2O). A one-dimensional calculation of the splitting of the ground state, due to equivalent double-well global minima, is also reported. Copyright © 2013 Elsevier B.V. All rights reserved.

Comparison between moving and stationary transmitter systems in induction logging

NASA Astrophysics Data System (ADS)

Poddar, M.; Caleb Dhanasekaran, P.; Prabhakar Rao, K.

1985-09-01

In a general treatment of the theory of induction logging, an exact integral representation has been obtained for the mutual impedance between a vertical dipole transmitter and a coaxial dipole receiver in a three layered earth. Based on this representation, a computer model has been devised using the traditional Slingram system of induction logging and the comparatively new Turam system, ignoring borehole effects. The model results indicate that due to its much larger response, the Turam system is in general preferable to the Slingram in mineral and groundwater investigations where formation conductivity much less than 1 S/m is generally encountered. However, if the surrounding media are conductive (more than 0.1 S/m), the Turam system suffers from large amplitude attenuation and phase rotation of the primary field caused by the conductive surrounding, and is less useful than the Slingram system which does not so suffer, unless the target bed is shallow. Because it is a more complex function of system parameters than the corresponding Slingram log, a Turam log can be conveniently interpreted only by the modern inverse method using a fast algorithm for the forward solution and a high speed digital computer.

Optical characterization of multi-scale morphologically complex heterogeneous media - Application to snow with soot impurities

NASA Astrophysics Data System (ADS)

Dai, Xiaoyu; Haussener, Sophia

2018-02-01

A multi-scale methodology for the radiative transfer analysis of heterogeneous media composed of morphologically-complex components on two distinct scales is presented. The methodology incorporates the exact morphology at the various scales and utilizes volume-averaging approaches with the corresponding effective properties to couple the scales. At the continuum level, the volume-averaged coupled radiative transfer equations are solved utilizing (i) effective radiative transport properties obtained by direct Monte Carlo simulations at the pore level, and (ii) averaged bulk material properties obtained at particle level by Lorenz-Mie theory or discrete dipole approximation calculations. This model is applied to a soot-contaminated snow layer, and is experimentally validated with reflectance measurements of such layers. A quantitative and decoupled understanding of the morphological effect on the radiative transport is achieved, and a significant influence of the dual-scale morphology on the macroscopic optical behavior is observed. Our results show that with a small amount of soot particles, of the order of 1ppb in volume fraction, the reduction in reflectance of a snow layer with large ice grains can reach up to 77% (at a wavelength of 0.3 μm). Soot impurities modeled as compact agglomerates yield 2-3% lower reduction of the reflectance in a thick show layer compared to snow with soot impurities modeled as chain-like agglomerates. Soot impurities modeled as equivalent spherical particles underestimate the reflectance reduction by 2-8%. This study implies that the morphology of the heterogeneities in a media significantly affects the macroscopic optical behavior and, specifically for the soot-contaminated snow, indicates the non-negligible role of soot on the absorption behavior of snow layers. It can be equally used in technical applications for the assessment and optimization of optical performance in multi-scale media.

Diffractive Hyperbola of a Skin Layer

NASA Astrophysics Data System (ADS)

Yakubov, V. P.; Vaiman, E. V.; Shipilov, S. È.; Prasath, A. K.

2018-03-01

Based on an analysis of physics of the phase transition from the quasistatic state field to the running wave field of elementary electric and magnetic dipoles located in absorbing media, it is concluded that the skin layer is formed at the boundary of this phase transition. The possibility is considered of obtaining the diffractive hyperbola of the skin layer and its subsequent application for sensing of objects in strongly absorbing media.

Buried Antenna Analysis at VHF. Part 1. The Buried Horizontal Electric Dipole.

DTIC Science & Technology

1984-01-01

much I have learned. Even though it took a little longer than I thought, the experience and knowledge gained were well worth it. I wish to thank my...P. S. and A. J. Giarola. "Optimization of Radio Communication in Media with Three Layers," IEEE Trans. on Ant. and Pron .. AP-31 (1): 141-144 (January...Monmouth, N. J., March 1974. 39. Wu., T. T., R. W. P. King, and D. V. Girl , "The Insulated Dipole Antenna in a Relatively Dense Medium," Radio Science. 8

Numerical evaluation of electromagnetic fields due to dipole antennas in the presence of stratified media

NASA Technical Reports Server (NTRS)

Tsang, L.; Brown, R.; Kong, J. A.; Simmons, G.

1974-01-01

Two numerical methods are used to evaluate the integrals that express the em fields due to dipole antennas radiating in the presence of a stratified medium. The first method is a direct integration by means of Simpson's rule. The second method is indirect and approximates the kernel of the integral by means of the fast Fourier transform. In contrast to previous analytical methods that applied only to two-layer cases the numerical methods can be used for any arbitrary number of layers with general properties.

Application of classical models of chirality to optical rectification

NASA Astrophysics Data System (ADS)

Wang, Xiao-Ou; Gong, Li-Jing; Li, Chun-Fei

2008-08-01

Classical models of chirality are used to investigate the optical rectification effect in chiral molecular media. Calculation of the zero frequency first hyperpolarizabilities of chiral molecules with different structures is performed and applied to the derivation of a dc electric-dipole polarization. The expression of second-order nonlinear static-electric-dipole susceptibilities is obtained by theoretical derivation in the isotropic chiral thin films. The microscopic mechanism producing optical rectification is analyzed in view of this calculation. We find that optical rectification is derived from interaction between the electric field gradient (spatial dispersion) and chiral molecules in optically active liquids and solution by our calculation, which is consistent with the result given by Woźniak and Wagnière [Opt. Commun. 114, 131 (1995)]: The optical rectification depends on the fourth-order electric-dipole susceptibilities.

Measurement of net electric charge and dipole moment of dust aggregates in a complex plasma.

PubMed

Yousefi, Razieh; Davis, Allen B; Carmona-Reyes, Jorge; Matthews, Lorin S; Hyde, Truell W

2014-09-01

Understanding the agglomeration of dust particles in complex plasmas requires knowledge of basic properties such as the net electrostatic charge and dipole moment of the dust. In this study, dust aggregates are formed from gold-coated mono-disperse spherical melamine-formaldehyde monomers in a radiofrequency (rf) argon discharge plasma. The behavior of observed dust aggregates is analyzed both by studying the particle trajectories and by employing computer models examining three-dimensional structures of aggregates and their interactions and rotations as induced by torques arising from their dipole moments. These allow the basic characteristics of the dust aggregates, such as the electrostatic charge and dipole moment, as well as the external electric field, to be determined. It is shown that the experimental results support the predicted values from computer models for aggregates in these environments.

Decay dynamics of nascent acetonitrile and nitromethane dipole-bound anions produced by intracluster charge-transfer

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

Yandell, Margaret A.; King, Sarah B.; Neumark, Daniel M., E-mail: dneumark@berkeley.edu

2014-05-14

Decay dynamics of nascent dipole bound states of acetonitrile and nitromethane are examined using time-resolved photoelectron imaging of iodide-acetonitrile (I{sup −}·CH{sub 3}CN) and iodide-nitromethane (I{sup −}·CH{sub 3}NO{sub 2}) complexes. Dipole-bound anions are created by UV-initiated electron transfer to the molecule of interest from the associated iodide ion at energies just below the vertical detachment energy of the halide-molecule complex. The acetonitrile anion is observed to decay biexponentially with time constants in the range of 4–900 ps. In contrast, the dipole bound state of nitromethane decays rapidly over 400 fs to form the valence bound anion. The nitromethane valence anion speciesmore » then decays biexponentially with time constants of 2 ps and 1200 ps. The biexponential decay dynamics in acetonitrile are interpreted as iodine atom loss and autodetachment from the excited dipole-bound anion, followed by slower autodetachment of the relaxed metastable ion, while the dynamics of the nitromethane system suggest that a dipole-bound anion to valence anion transition proceeds via intramolecular vibrational energy redistribution to nitro group modes in the vicinity of the iodine atom.« less

Decay dynamics of nascent acetonitrile and nitromethane dipole-bound anions produced by intracluster charge-transfer.

PubMed

Yandell, Margaret A; King, Sarah B; Neumark, Daniel M

2014-05-14

Decay dynamics of nascent dipole bound states of acetonitrile and nitromethane are examined using time-resolved photoelectron imaging of iodide-acetonitrile (I(-)·CH3CN) and iodide-nitromethane (I(-)·CH3NO2) complexes. Dipole-bound anions are created by UV-initiated electron transfer to the molecule of interest from the associated iodide ion at energies just below the vertical detachment energy of the halide-molecule complex. The acetonitrile anion is observed to decay biexponentially with time constants in the range of 4-900 ps. In contrast, the dipole bound state of nitromethane decays rapidly over 400 fs to form the valence bound anion. The nitromethane valence anion species then decays biexponentially with time constants of 2 ps and 1200 ps. The biexponential decay dynamics in acetonitrile are interpreted as iodine atom loss and autodetachment from the excited dipole-bound anion, followed by slower autodetachment of the relaxed metastable ion, while the dynamics of the nitromethane system suggest that a dipole-bound anion to valence anion transition proceeds via intramolecular vibrational energy redistribution to nitro group modes in the vicinity of the iodine atom.

Revisitation of the dipole tracer test for heterogeneous porous formations

NASA Astrophysics Data System (ADS)

Zech, Alraune; D'Angelo, Claudia; Attinger, Sabine; Fiori, Aldo

2018-05-01

In this paper, a new analytical solution for interpreting dipole tests in heterogeneous media is derived by associating the shape of the tracer breakthrough curve with the log-conductivity variance. It is presented how the solution can be used for interpretation of dipole field test in view of geostatistical aquifer characterization on three illustrative examples. The analytical solution for the tracer breakthrough curve at the pumping well in a dipole tracer test is developed by considering a perfectly stratified formation. The analysis is carried out making use of the travel time of a generic solute particle, from the injection to the pumping well. Injection conditions are adapted to different possible field setting. Solutions are presented for resident and flux proportional injection mode as well as for an instantaneous pulse of solute and continuous solute injections. The analytical form of the solution allows a detailed investigation on the impact of heterogeneity, the tracer input conditions and ergodicity conditions at the well. The impact of heterogeneity manifests in a significant spreading of solute particles that increases the natural tendency to spreading induced by the dipole setup. Furthermore, with increasing heterogeneity the number of layers needed to reach ergodic conditions become larger. Thus, dipole test in highly heterogeneous aquifers might take place under non-ergodic conditions giving that the log-conductivity variance is underestimated. The method is a promising geostatistical analyzing tool being the first analytical solution for dipole tracer test analysis taking heterogeneity of hydraulic conductivity into account.

Electron accommodation dynamics in the DNA base thymine

NASA Astrophysics Data System (ADS)

King, Sarah B.; Stephansen, Anne B.; Yokoi, Yuki; Yandell, Margaret A.; Kunin, Alice; Takayanagi, Toshiyuki; Neumark, Daniel M.

2015-07-01

The dynamics of electron attachment to the DNA base thymine are investigated using femtosecond time-resolved photoelectron imaging of the gas phase iodide-thymine (I-T) complex. An ultraviolet pump pulse ejects an electron from the iodide and prepares an iodine-thymine temporary negative ion that is photodetached with a near-IR probe pulse. The resulting photoelectrons are analyzed with velocity-map imaging. At excitation energies ranging from -120 meV to +90 meV with respect to the vertical detachment energy (VDE) of 4.05 eV for I-T, both the dipole-bound and valence-bound negative ions of thymine are observed. A slightly longer rise time for the valence-bound state than the dipole-bound state suggests that some of the dipole-bound anions convert to valence-bound species. No evidence is seen for a dipole-bound anion of thymine at higher excitation energies, in the range of 0.6 eV above the I-T VDE, which suggests that if the dipole-bound anion acts as a "doorway" to the valence-bound anion, it only does so at excitation energies near the VDE of the complex.

Electron accommodation dynamics in the DNA base thymine.

PubMed

King, Sarah B; Stephansen, Anne B; Yokoi, Yuki; Yandell, Margaret A; Kunin, Alice; Takayanagi, Toshiyuki; Neumark, Daniel M

2015-07-14

The dynamics of electron attachment to the DNA base thymine are investigated using femtosecond time-resolved photoelectron imaging of the gas phase iodide-thymine (I(-)T) complex. An ultraviolet pump pulse ejects an electron from the iodide and prepares an iodine-thymine temporary negative ion that is photodetached with a near-IR probe pulse. The resulting photoelectrons are analyzed with velocity-map imaging. At excitation energies ranging from -120 meV to +90 meV with respect to the vertical detachment energy (VDE) of 4.05 eV for I(-)T, both the dipole-bound and valence-bound negative ions of thymine are observed. A slightly longer rise time for the valence-bound state than the dipole-bound state suggests that some of the dipole-bound anions convert to valence-bound species. No evidence is seen for a dipole-bound anion of thymine at higher excitation energies, in the range of 0.6 eV above the I(-)T VDE, which suggests that if the dipole-bound anion acts as a "doorway" to the valence-bound anion, it only does so at excitation energies near the VDE of the complex.

Improved Diffraction Efficiency of Polarization-Sensitive Azobenzene-Containing Copolymers in an Electric Field

NASA Astrophysics Data System (ADS)

Davidenko, N. A.; Davidenko, I. I.; Mokrinskaya, E. V.; Pavlov, V. A.; Studzinsky, S. L.; Tarasenko, V. V.; Tonkopieva, L. S.; Chuprina, N. G.

2018-03-01

Recording media for polarization holography based on new azobenzene-containing monomers with octylmethacrylate are created. Their electrophysical and information properties are investigated. Improvement of the diffraction efficiency of holograms in these media in an external electric field formed by charging the free surface of the polymer film in a corona discharge is demonstrated. The diffraction efficiency is improved more in the copolymer, in which the azobenzene fragments possess larger dipole moments.

RT DDA: A hybrid method for predicting the scattering properties by densely packed media

NASA Astrophysics Data System (ADS)

Ramezan Pour, B.; Mackowski, D.

2017-12-01

The most accurate approaches to predicting the scattering properties of particulate media are based on exact solutions of the Maxwell's equations (MEs), such as the T-matrix and discrete dipole methods. Applying these techniques for optically thick targets is challenging problem due to the large-scale computations and are usually substituted by phenomenological radiative transfer (RT) methods. On the other hand, the RT technique is of questionable validity in media with large particle packing densities. In recent works, we used numerically exact ME solvers to examine the effects of particle concentration on the polarized reflection properties of plane parallel random media. The simulations were performed for plane parallel layers of wavelength-sized spherical particles, and results were compared with RT predictions. We have shown that RTE results monotonically converge to the exact solution as the particle volume fraction becomes smaller and one can observe a nearly perfect fit for packing densities of 2%-5%. This study describes the hybrid technique composed of exact and numerical scalar RT methods. The exact methodology in this work is the plane parallel discrete dipole approximation whereas the numerical method is based on the adding and doubling method. This approach not only decreases the computational time owing to the RT method but also includes the interference and multiple scattering effects, so it may be applicable to large particle density conditions.

The Ba 4d-4f giant dipole resonance in complex Ba/Si compounds

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

Sahle, Ch. J.; Sternemann, C.; Sternemann, H.

2014-08-06

The shape of the Ba 4d–4f giant dipole resonance is studied for Ba atoms embedded inside complex Si networks covering structures consisting of Si nanocages and nanotubes, i.e. the clathrate Ba 8Si 46, the complex compound BaSi 6, and the semiconducting BaSi 2. Here, non-resonant x-ray Raman scattering is used to investigate confinement effects on the shape of the giant resonance in the vicinity of the Ba NIV, V-edge. The distinct momentum transfer dependence of the spectra is analyzed and discussed. The measurements are compared to calculations of the giant resonance within time-dependent local density approximation in the dipole limit.more » No modulation of the giant resonance's shape for Ba atoms confined in different local environments was observed, in contrast to the calculations. The absence of such shape modulation for complex Ba/Si compounds is discussed providing important implications for further studies of giant resonance phenomena utilizing both theory and experiment.« less

The Ba 4d-4f giant dipole resonance in complex Ba/Si compounds

NASA Astrophysics Data System (ADS)

Sahle, Ch J.; Sternemann, C.; Sternemann, H.; Tse, J. S.; Gordon, R. A.; Desgreniers, S.; Maekawa, S.; Yamanaka, S.; Lehmkühler, F.; Wieland, D. C. F.; Mende, K.; Huotari, S.; Tolan, M.

2014-02-01

The shape of the Ba 4d-4f giant dipole resonance is studied for Ba atoms embedded inside complex Si networks covering structures consisting of Si nanocages and nanotubes, i.e. the clathrate Ba8Si46, the complex compound BaSi6, and the semiconducting BaSi2. Here, non-resonant x-ray Raman scattering is used to investigate confinement effects on the shape of the giant resonance in the vicinity of the Ba NIV, V-edge. The distinct momentum transfer dependence of the spectra is analyzed and discussed. The measurements are compared to calculations of the giant resonance within time-dependent local density approximation in the dipole limit. No modulation of the giant resonance’s shape for Ba atoms confined in different local environments was observed, in contrast to the calculations. The absence of such shape modulation for complex Ba/Si compounds is discussed providing important implications for further studies of giant resonance phenomena utilizing both theory and experiment.

Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units.

PubMed

Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji

2015-05-21

Enhanced luminescence of a lanthanide complex with dynamic polarization of the excited state and molecular motion is introduced. The luminescent lanthanide complex is composed of one Eu(hfa)3 (hfa, hexafluoroacetylacetonate) and two phosphine oxide ligands with ruthenocenyl units Rc, [Eu(hfa)3(RcPO)2] (RcPO = diphenylphosphorylruthenocene). The ruthenocenyl units in the phosphine oxide ligands play an important role of switching for dynamic molecular polarization and motion in liquid media. The oxidation states of the ruthenocenyl unit (Rc(1+)/Rc(1+)) are controlled by potentiostatic polarization. Eu(III) complexes attached with bidentate phosphine oxide ligands containing ruthenocenyl units, [Eu(hfa)3(RcBPO)] (RcBPO = 1,1'-bis(diphenylphosphoryl)ruthenocene), and with bidentate phosphine oxide ligands, [Eu(hfa)3(BIPHEPO)] (BIPHEPO =1,1'-biphenyl-2,2'-diylbis(diphenylphosphine oxide), were also prepared as references. The coordination structures and electrochemical properties were analyzed using single crystal X-ray analysis, cyclic voltammetry, and absorption spectroscopy measurements. The luminescence properties were estimated using an optoelectrochemical cell. Under potentiostatic polarization, a significant enhancement of luminescence was successfully observed for [Eu(hfa)3(RcPO)2], while no spectral change was observed for [Eu(hfa)3(RcBPO)]. In this study, the remarkable enhanced luminescence phenomena of Eu(III) complex based on the dynamic molecular motion under potentiostatic polarization have been performed.

Coulomb couplings in solubilised light harvesting complex II (LHCII): challenging the ideal dipole approximation from TDDFT calculations.

PubMed

López-Tarifa, P; Liguori, Nicoletta; van den Heuvel, Naudin; Croce, Roberta; Visscher, Lucas

2017-07-19

The light harvesting complex II (LHCII), is a pigment-protein complex responsible for most of the light harvesting in plants. LHCII harvests sunlight and transfers excitation energy to the reaction centre of the photo-system, where the water oxidation process takes place. The energetics of LHCII can be modulated by means of conformational changes allowing a switch from a harvesting to a quenched state. In this state, the excitation energy is no longer transferred but converted into thermal energy to prevent photooxidation. Based on molecular dynamics simulations at the microsecond time scale, we have recently proposed that the switch between different fluorescent states can be probed by correlating shifts in the chromophore-chromophore Coulomb interactions to particular protein movements. However, these findings are based upon calculations in the ideal point dipole approximation (IDA) where the Coulomb couplings are simplified as first order dipole-dipole interactions, also assuming that the chromophore transition dipole moments lay in particular directions of space with constant moduli (FIX-IDA). In this work, we challenge this approximation using the time-dependent density functional theory (TDDFT) combined with the frozen density embedding (FDE) approach. Our aim is to establish up to which limit FIX-IDA can be applied and which chromophore types are better described under this approximation. For that purpose, we use the classical trajectories of solubilised light harvesting complex II (LHCII) we have recently reported [Liguori et al., Sci. Rep., 2015, 5, 15661] and selected three pairs of chromophores containing chlorophyll and carotenoids (Chl and Car): Chla611-Chla612, Chlb606-Chlb607 and Chla612-Lut620. Using the FDE in the Tamm-Dancoff approximation (FDEc-TDA), we show that IDA is accurate enough for predicting Chl-Chl Coulomb couplings. However, the FIX-IDA largely overestimates Chl-Car interactions mainly because the transition dipole for the Cars is not trivially oriented on the polyene chain.

Interaction—Induced Spectroscopy of H2 in the Fullerenes

NASA Astrophysics Data System (ADS)

Lewis, John Courtenay; Herman, Roger M.

2006-11-01

Carbon nanostructures of various sorts have been the subject of intensive research since their discoveries in the latter part of the 20th century. Much of this research has been motivated by the intrinsic interest of these structures, though their potential as hydrogen storage media has also attracted attention. It was realized that the carbon-hydrogen interactions in these media would induce dipole moments which might lead to observable absorption of infrared spectra, and this work will be reviewed and extended in this paper. The fundamental vibration-rotation spectrum, of H2 in a fcc C60 lattice (fullerite) at room temperature was first observed by S. A. FitzGerald and coworkers, who have subsequently extended their observations to near liquid nitrogen temperatures. Herman and Lewis have discussed the theoretical aspects of H2 in carbon nanotube bundles and in fullerite. We have developed a detailed theory for the spectrum of H2 in fullerite. This theory assumes that the H2 - C potential can be accurately approximated by an exp-6 potential, the parameters of which are then obtained by fitting the line frequencies in FitzGerald's spectra. We have also obtained a model for the H2 induced dipole moment based on the calculations of Frommhold and coworkers on the induced dipole in H2 - He. With one adjustable parameter this model gives a good account of the observed intensities. In work to date the line width has been taken as an empirical parameter. However, the line width is in principal determinable from the H2 - C potential and induced dipole moment, together with the known properties of the phonon modes in fullerite. We conclude this paper with a discussion of the line width problem for H2 in fullerite.

Structure and Spectroscopy of Buried Interfaces in Organic Thin Films and Colloids

DTIC Science & Technology

2012-03-01

A systematic study of adsorption of linear acenes, from benzene to pentacene , on metal surfaces has been conducted using Temperature Programmed...inter- adsorbate repulsive interaction resulted from local dipole moment at the adsorption site induced by the adsorbate-surface charge transfer...adsorbate interactions resulting from a local dipole moment of 4.3 D at the adsorbate-substrate complex. The interface dipole of naphthalene on Ag is 51

Aqueous solvation of polyalanine α-helices with specific water molecules and with the CPCM and SM5.2 aqueous continuum models using density functional theory.

PubMed

Marianski, Mateusz; Dannenberg, J J

2012-02-02

We present density functional theory (DFT) calculations at the X3LYP/D95(d,p) level on the solvation of polyalanine α-helices in water. The study includes the effects of discrete water molecules and the CPCM and AMSOL SM5.2 solvent continuum model both separately and in combination. We find that individual water molecules cooperatively hydrogen-bond to both the C- and N-termini of the helix, which results in increases in the dipole moment of the helix/water complex to more than the vector sum of their individual dipole moments. These waters are found to be more stable than in bulk solvent. On the other hand, individual water molecules that interact with the backbone lower the dipole moment of the helix/water complex to below that of the helix itself. Small clusters of waters at the termini increase the dipole moments of the helix/water aggregates, but the effect diminishes as more waters are added. We discuss the somewhat complex behavior of the helix with the discrete waters in the continuum models.

Aqueous Solvation of Polyalanine α-Helices with Specific Water Molecules and with the CPCM and SM5.2 Aqueous Continuum Models using Density Functional Theory

PubMed Central

Marianski, Mateusz

2012-01-01

We present density functional theory (DFT) calculations at the X3LYP/D95(d,p) level on the solvation of polyalanine α-helices in water. The study includes the effects of discrete water molecules and the CPCM and AMSOL SM5.2 solvent continuum model both separately and in combination. We find that individual water molecules cooperatively hydrogen-bond to both the C- and N-termini of the helix, which results in increases in the dipole moment of the helix/water complex to more than the vector sum of their individual dipole moments. These waters are found to be more stable than in bulk solvent. On the other hand, individual water that interact with the backbone lower the dipole moment of the helix/water complex to below that of the helix, itself. Small clusters of waters at the termini increase the dipole moments of the helix/water aggregates, but the effect diminishes as more waters are added. We discuss the somewhat complex behavior of the helix with the discrete waters in the continuum models. PMID:22201227

Plasmonic reflectance anisotropy spectroscopy of metal nanoparticles on a semiconductor surface

NASA Astrophysics Data System (ADS)

Kosobukin, V. A.; Korotchenkov, A. V.

2016-12-01

A theory of plasmonic differential anisotropic reflection of light from nanoparticles located near the interface between media is developed. The model of a monolayer consisting of identical ellipsoidal metal particles occupying sites of a rectangular lattice is investigated. Effective plasmonic polarizabilities of nanoparticles in the layer are calculated self-consistently using the Green's function technique in the quasipoint dipole approximation. The local-field effect caused by anisotropic dipole plasmons of particles in the layer and their image dipoles is taken into account. The lately observed resonant reflectance anisotropy spectra of indium nanoclusters on InAs surface are explained by the difference between frequencies of plasmons with the orthogonal polarizations in the surface plane. The difference between the plasmon frequencies is attributed to anisotropy of the particles shape or/and the layer structure; the signs of frequency difference for the two types of anisotropy being different.

Collective dynamic dipole moment and orientation fluctuations, cooperative hydrogen bond relaxations, and their connections to dielectric relaxation in ionic acetamide deep eutectics: Microscopic insight from simulations

NASA Astrophysics Data System (ADS)

Das, Suman; Biswas, Ranjit; Mukherjee, Biswaroop

2016-08-01

The paper reports a detailed simulation study on collective reorientational relaxation, cooperative hydrogen bond (H-bond) fluctuations, and their connections to dielectric relaxation (DR) in deep eutectic solvents made of acetamide and three uni-univalent electrolytes, lithium nitrate (LiNO3), lithium bromide (LiBr), and lithium perchlorate (LiClO4). Because cooperative H-bond fluctuations and ion migration complicate the straightforward interpretation of measured DR timescales in terms of molecular dipolar rotations for these conducting media which support extensive intra- and inter-species H-bonding, one needs to separate out the individual components from the overall relaxation for examining the microscopic origin of various timescales. The present study does so and finds that reorientation of ion-complexed acetamide molecules generates relaxation timescales that are in sub-nanosecond to nanosecond range. This explains in molecular terms the nanosecond timescales reported by recent giga-Hertz DR measurements. Interestingly, the simulated survival timescale for the acetamide-Li+ complex has been found to be a few tens of nanosecond, suggesting such a cation-complexed species may be responsible for a similar timescale reported by mega-Hertz DR measurements of acetamide/potassium thiocyanate deep eutectics near room temperature. The issue of collective versus single particle relaxation is discussed, and jump waiting time distributions are determined. Dependence on anion-identity in each of the cases has been examined. In short, the present study demonstrates that assumption of nano-sized domain formation is not required for explaining the DR detected nanosecond and longer timescales in these media.

Can we beat the biotin-avidin pair?: cucurbit[7]uril-based ultrahigh affinity host-guest complexes and their applications.

PubMed

Shetty, Dinesh; Khedkar, Jayshree K; Park, Kyeng Min; Kim, Kimoon

2015-12-07

The design of synthetic, monovalent host-guest molecular recognition pairs is still challenging and of particular interest to inquire into the limits of the affinity that can be achieved with designed systems. In this regard, cucurbit[7]uril (CB[7]), an important member of the host family cucurbit[n]uril (CB[n], n = 5-8, 10, 14), has attracted much attention because of its ability to form ultra-stable complexes with multiple guests. The strong hydrophobic effect between the host cavity and guests, ion-dipole and dipole-dipole interactions of guests with CB portals helps in cooperative and multiple noncovalent interactions that are essential for realizing such strong complexations. These highly selective, strong yet dynamic interactions can be exploited in many applications including affinity chromatography, biomolecule immobilization, protein isolation, biological catalysis, and sensor technologies. In this review, we summarize the progress in the development of high affinity guests for CB[7], factors affecting the stability of complexes, theoretical insights, and the utility of these high affinity pairs in different challenging applications.

Electrostatic-Dipole (ED) Fusion Confinement Studies

NASA Astrophysics Data System (ADS)

Miley, George H.; Shrestha, Prajakti J.; Yang, Yang; Thomas, Robert

2004-11-01

The Electrostatic-Dipole (ED) concept significantly differs from a "pure" dipole confinement device [1] in that the charged particles are preferentially confined to the high-pressure region interior of the dipole coil by the assistance of a surrounding spherical electrostatic grid. In present ED experiments, a current carrying coil is embedded inside the grid of an IEC such as to produce a magnetic dipole field. Charged particles are injected axisymmetrically from an ion gun (or duo-plasmatron) into the center of the ED confinement grid/dipole ring where they oscillate along the magnetic field lines and pass the peak field region at the center of the dipole region. As particles begin accelerating away from the center region towards the outer electrostatic grid region, they encounter a strong electrostatic potential (order of 10's of kilovolts) retarding force. The particles then decelerate, reverse direction and re-enter the dipole field region where again magnetic confinement dominates. This process continues, emulating a complex harmonic oscillator motion. The resulting pressure profile averaged over the field curvature offers good plasma stability in the ED configuration. The basic concept and results from preliminary experiments will be described. [1] M.E. Mauel, et al. "Dipole Equilibrium and Stability," 18th IAEA Conference of Plasma Phys. and Control. Nuclear Fusion, Varenna, Italy 2000, IAEA-F1-CN-70/TH

Source analysis of MEG activities during sleep (abstract)

NASA Astrophysics Data System (ADS)

Ueno, S.; Iramina, K.

1991-04-01

The present study focuses on magnetic fields of the brain activities during sleep, in particular on K-complexes, vertex waves, and sleep spindles in human subjects. We analyzed these waveforms based on both topographic EEG (electroencephalographic) maps and magnetic fields measurements, called MEGs (magnetoencephalograms). The components of magnetic fields perpendicular to the surface of the head were measured using a dc SQUID magnetometer with a second derivative gradiometer. In our computer simulation, the head is assumed to be a homogeneous spherical volume conductor, with electric sources of brain activity modeled as current dipoles. Comparison of computer simulations with the measured data, particularly the MEG, suggests that the source of K-complexes can be modeled by two current dipoles. A source for the vertex wave is modeled by a single current dipole which orients along the body axis out of the head. By again measuring the simultaneous MEG and EEG signals, it is possible to uniquely determine the orientation of this dipole, particularly when it is tilted slightly off-axis. In sleep stage 2, fast waves of magnetic fields consistently appeared, but EEG spindles appeared intermittently. The results suggest that there exist sources which are undetectable by electrical measurement but are detectable by magnetic-field measurement. Such source can be described by a pair of opposing dipoles of which directions are oppositely oriented.

High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrum

NASA Astrophysics Data System (ADS)

Qu, Chen; Bowman, Joel M.

2018-06-01

We present high-level, coupled-mode calculations of the infrared spectrum of the cyclic formic acid dimer. The calculations make use of full-dimensional, ab initio potential energy and dipole moment surfaces. The potential is a linear least-squares fit to 13 475 CCSD(T)-F12a/haTZ (haTZ means aug-cc-pVTZ basis set for O and C, and cc-pVTZ for H) energies, and the dipole moment surface is a fit to the dipole components, calculated at the MP2/haTZ level of theory. The variables of both fits are all (45) internuclear distances (actually Morse variables). The potential, which is fully permutationally invariant, is the one published recently and the dipole moment surface is newly reported here. Details of the fits, especially the dipole moment, and the database of configurations are given. The infrared spectrum of the dimer is calculated by solving the nuclear Schrödinger equation using a vibrational self-consistent field and virtual-state configuration interaction method, with subsets of the 24 normal modes, up to 15 modes. The calculations indicate strong mode-coupling in the C—H and O—H stretching region of the spectrum. Comparisons are made with experiments and the complexity of the experimental spectrum in the C—H and O—H stretching region is successfully reproduced.

Modification of electric and magnetic dipole emission in anisotropic plasmonic systems.

PubMed

Noginova, N; Hussain, R; Noginov, M A; Vella, J; Urbas, A

2013-10-07

In order to investigate the effects of plasmonic environments on spontaneous emission of magnetic and electric dipoles, we have studied luminescence of Eu³⁺ ions in close vicinity to gold nanostrip arrays. Significant changes in the emission kinetics, emission polarization, and radiation patterns have been observed in the wavelength range corresponding to the plasmonic resonance. The effect of the plasmonic resonance on the magnetic dipole transition ⁵D₀-->⁷F₁ is found to be very different from its effect on the electric dipole transitions. This makes Eu³⁺₋ containing complexes promising for mapping local distributions of magnetic and electric fields in metamaterials and plasmonic systems.

Resonant scattering from a two-dimensional honeycomb PT dipole structure

NASA Astrophysics Data System (ADS)

Markoš, P.; Kuzmiak, V.

2018-05-01

We studied numerically the electromagnetic response of the finite periodic structure consisting of the PT dipoles represented by two infinitely long, parallel cylinders with the opposite sign of the imaginary part of a refractive index, which are centered at the positions of a two-dimensional honeycomb lattice. We observed that the total scattered energy reveals a series of sharp resonances at which the energy increases by two orders of magnitude and an incident wave is scattered only in a few directions given by spatial symmetry of the periodic structure. We explain this behavior by analysis of the complex frequency spectra associated with an infinite honeycomb array of the PT dipoles and identify the lowest resonance with the broken PT -symmetry mode formed by a doubly degenerate pair with complex conjugate eigenfrequencies corresponding to the K point of the reciprocal lattice.

Collective dynamic dipole moment and orientation fluctuations, cooperative hydrogen bond relaxations, and their connections to dielectric relaxation in ionic acetamide deep eutectics: Microscopic insight from simulations

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

Das, Suman; Biswas, Ranjit, E-mail: ranjit@bose.res.in, E-mail: biswaroop.mukherjee@gmail.com; Thematic Unit for Excellence – Computational Materials Science, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098

The paper reports a detailed simulation study on collective reorientational relaxation, cooperative hydrogen bond (H-bond) fluctuations, and their connections to dielectric relaxation (DR) in deep eutectic solvents made of acetamide and three uni-univalent electrolytes, lithium nitrate (LiNO{sub 3}), lithium bromide (LiBr), and lithium perchlorate (LiClO{sub 4}). Because cooperative H-bond fluctuations and ion migration complicate the straightforward interpretation of measured DR timescales in terms of molecular dipolar rotations for these conducting media which support extensive intra- and inter-species H-bonding, one needs to separate out the individual components from the overall relaxation for examining the microscopic origin of various timescales. The presentmore » study does so and finds that reorientation of ion-complexed acetamide molecules generates relaxation timescales that are in sub-nanosecond to nanosecond range. This explains in molecular terms the nanosecond timescales reported by recent giga-Hertz DR measurements. Interestingly, the simulated survival timescale for the acetamide-Li{sup +} complex has been found to be a few tens of nanosecond, suggesting such a cation-complexed species may be responsible for a similar timescale reported by mega-Hertz DR measurements of acetamide/potassium thiocyanate deep eutectics near room temperature. The issue of collective versus single particle relaxation is discussed, and jump waiting time distributions are determined. Dependence on anion-identity in each of the cases has been examined. In short, the present study demonstrates that assumption of nano-sized domain formation is not required for explaining the DR detected nanosecond and longer timescales in these media.« less

Analysis of dependent scattering mechanism in hard-sphere Yukawa random media

NASA Astrophysics Data System (ADS)

Wang, B. X.; Zhao, C. Y.

2018-06-01

The structural correlations in the microscopic structures of random media can induce the dependent scattering mechanism and thus influence the optical scattering properties. Based on our recent theory on the dependent scattering mechanism in random media composed of discrete dipolar scatterers [B. X. Wang and C. Y. Zhao, Phys. Rev. A 97, 023836 (2018)], in this paper, we study the hard-sphere Yukawa random media, in order to further elucidate the role of structural correlations in the dependent scattering mechanism and hence optical scattering properties. Here, we consider charged colloidal suspensions, whose effective pair interaction between colloids is described by a screened Coulomb (Yukawa) potential. By means of adding salt ions, the pair interaction between the charged particles can be flexibly tailored and therefore the structural correlations are modified. It is shown that this strategy can affect the optical properties significantly. For colloidal TiO2 suspensions, the modification of electric and magnetic dipole excitations induced by the structural correlations can substantially influence the optical scattering properties, in addition to the far-field interference effect described by the structure factor. However, this modification is only slightly altered by different salt concentrations and is mainly because of the packing-density-dependent screening effect. On the other hand, for low refractive index colloidal polystyrene suspensions, the dependent scattering mechanism mainly involves the far-field interference effect, and the effective exciting field amplitude for the electric dipole almost remains unchanged under different structural correlations. The present study has profound implications for understanding the role of structural correlations in the dependent scattering mechanism.

Ground state of dipolar hard spheres confined in channels

NASA Astrophysics Data System (ADS)

Deißenbeck, Florian; Löwen, Hartmut; Oǧuz, Erdal C.

2018-05-01

We investigate the ground state of a classical two-dimensional system of hard-sphere dipoles confined between two hard walls. Using lattice sum minimization techniques we reveal that at fixed wall separations, a first-order transition from a vacuum to a straight one-dimensional chain of dipoles occurs upon increasing the density. Further increase in the density yields the stability of an undulated chain as well as nontrivial buckling structures. We explore the close-packed configurations of dipoles in detail, and we find that, in general, the densest packings of dipoles possess complex magnetizations along the principal axis of the slit. Our predictions serve as a guideline for experiments with granular dipolar and magnetic colloidal suspensions confined in slitlike channel geometry.

The Dipole Segment Model for Axisymmetrical Elongated Asteroids

NASA Astrophysics Data System (ADS)

Zeng, Xiangyuan; Zhang, Yonglong; Yu, Yang; Liu, Xiangdong

2018-02-01

Various simplified models have been investigated as a way to understand the complex dynamical environment near irregular asteroids. A dipole segment model is explored in this paper, one that is composed of a massive straight segment and two point masses at the extremities of the segment. Given an explicitly simple form of the potential function that is associated with the dipole segment model, five topological cases are identified with different sets of system parameters. Locations, stabilities, and variation trends of the system equilibrium points are investigated in a parametric way. The exterior potential distribution of nearly axisymmetrical elongated asteroids is approximated by minimizing the acceleration error in a test zone. The acceleration error minimization process determines the parameters of the dipole segment. The near-Earth asteroid (8567) 1996 HW1 is chosen as an example to evaluate the effectiveness of the approximation method for the exterior potential distribution. The advantages of the dipole segment model over the classical dipole and the traditional segment are also discussed. Percent error of acceleration and the degree of approximation are illustrated by using the dipole segment model to approximate four more asteroids. The high efficiency of the simplified model over the polyhedron is clearly demonstrated by comparing the CPU time.

Resonance behavior of atomic and molecular photoionization amplitudes

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

Cherepkov, N. A.; Kuznetsov, V. V.; Semenov, S. K.

The behavior of the partial photoionization amplitudes with a given orbital angular momentum l in the complex plane in resonances is studied. In the autoionization resonances the trajectory of the amplitude in the complex plane corresponds to a circle. With increasing photoelectron energy the amplitude moves about a circle in the counterclockwise direction. The new expressions for the partial amplitudes in the resonance are proposed which are similar to the Fano form but contain the 'partial' profile parameters which are connected with the Fano parameter q by a simple relation. In the giant dipole resonances the amplitudes in the complexmore » plane also move about a circle in the counterclockwise direction provided the Coulomb phase is excluded from the amplitude. In the correlational resonances created by channel interactions with the giant dipole resonance the trajectories of the amplitudes acquire a loop about which the amplitudes move in the counterclockwise direction. Very similar behavior of partial photoionization amplitudes in the complex plane is demonstrated also for the dipole transitions from the K shells of the N{sub 2} molecule in the {sigma}* shape resonance.« less

Antennas in matter: Fundamentals, theory, and applications

NASA Technical Reports Server (NTRS)

King, R. W. P.; Smith, G. S.; Owens, M.; Wu, T. T.

1981-01-01

The volume provides an introduction to antennas and probes embedded within or near material bodies such as the earth, the ocean, or a living organism. After a fundamental analysis of insulated and bare antennas, an advanced treatment of antennas in various media is presented, including a detailed study of the electromagnetic equations in homogeneous isotropic media, the complete theory of the bare dipole in a general medium, and a rigorous analysis of the insulated antenna as well as bare and insulated loop antennas. Finally, experimental models and measuring techniques related to antennas and probes in a general dissipative or dielectric medium are examined.

Coexistence of collapse and stable spatiotemporal solitons in multimode fibers

NASA Astrophysics Data System (ADS)

Shtyrina, Olga V.; Fedoruk, Mikhail P.; Kivshar, Yuri S.; Turitsyn, Sergei K.

2018-01-01

We analyze spatiotemporal solitons in multimode optical fibers and demonstrate the existence of stable solitons, in a sharp contrast to earlier predictions of collapse of multidimensional solitons in three-dimensional media. We discuss the coexistence of blow-up solutions and collapse stabilization by a low-dimensional external potential in graded-index media, and also predict the existence of stable higher-order nonlinear waves such as dipole-mode spatiotemporal solitons. To support the main conclusions of our numerical studies we employ a variational approach and derive analytically the stability criterion for input powers for the collapse stabilization.

Dipole-Induced Electromagnetic Transparency

NASA Astrophysics Data System (ADS)

Puthumpally-Joseph, Raiju; Sukharev, Maxim; Atabek, Osman; Charron, Eric

2014-10-01

We determine the optical response of a thin and dense layer of interacting quantum emitters. We show that, in such a dense system, the Lorentz redshift and the associated interaction broadening can be used to control the transmission and reflection spectra. In the presence of overlapping resonances, a dipole-induced electromagnetic transparency (DIET) regime, similar to electromagnetically induced transparency (EIT), may be achieved. DIET relies on destructive interference between the electromagnetic waves emitted by quantum emitters. Carefully tuning material parameters allows us to achieve narrow transmission windows in, otherwise, completely opaque media. We analyze in detail this coherent and collective effect using a generalized Lorentz model and show how it can be controlled. Several potential applications of the phenomenon, such as slow light, are proposed.

Enhancing Raman signals through electromagnetic hot zones induced by magnetic dipole resonance of metal-free nanoparticles

NASA Astrophysics Data System (ADS)

Tseng, Yi-Chuan; Lee, Yang-Chun; Chang, Sih-Wei; Lin, Tzu-Yao; Ma, Dai-Liang; Lin, Bo-Cheng; Chen, Hsuen-Li

2017-11-01

In this study, we found that the large area of electromagnetic field hot zone induced through magnetic dipole resonance of metal-free structures can greatly enhance Raman scattering signals. The magnetic resonant nanocavities, based on high-refractive-index silicon nanoparticles (SiNPs), were designed to resonate at the wavelength of the excitation laser of the Raman system. The well-dispersed SiNPs that were not closely packed displayed significant magnetic dipole resonance and gave a Raman enhancement per unit volume of 59 347. The hot zones of intense electric field were generated not only within the nonmetallic NPs but also around them, even within the underlying substrate. We observed experimentally that gallium nitride (GaN) and silicon carbide (SiC) surfaces presenting very few SiNPs (coverage: <0.3%) could display significantly enhanced (>50%) Raman signals. In contrast, the Raman signals of the underlying substrates were not enhanced by gold nanoparticles (AuNPs), even though these NPs displayed a localized surface plasmon resonance (LSPR) phenomenon. A comparison of the areas of the electric field hot zones (E 2 > 10) generated by SiNPs undergoing magnetic dipole resonance with the electric field hot spots (E 2 > 10) generated by AuNPs undergoing LSPR revealed that the former was approximately 70 times that of the latter. More noteworthily, the electromagnetic field hot zone generated from the SiNP is able to extend into the surrounding and underlying media. Relative to metallic NPs undergoing LSPR, these nonmetallic NPs displaying magnetic dipole resonance were more effective at enhancing the Raman scattering signals from analytes that were underlying, or even far away from, them. This application of magnetic dipole resonance in metal-free structures appears to have great potential for use in developing next-generation techniques for Raman enhancement.

Finite difference modelling of dipole acoustic logs in a poroelastic formation with anisotropic permeability

NASA Astrophysics Data System (ADS)

He, Xiao; Hu, Hengshan; Wang, Xiuming

2013-01-01

Sedimentary rocks can exhibit strong permeability anisotropy due to layering, pre-stresses and the presence of aligned microcracks or fractures. In this paper, we develop a modified cylindrical finite-difference algorithm to simulate the borehole acoustic wavefield in a saturated poroelastic medium with transverse isotropy of permeability and tortuosity. A linear interpolation process is proposed to guarantee the leapfrog finite difference scheme for the generalized dynamic equations and Darcy's law for anisotropic porous media. First, the modified algorithm is validated by comparison against the analytical solution when the borehole axis is parallel to the symmetry axis of the formation. The same algorithm is then used to numerically model the dipole acoustic log in a borehole with its axis being arbitrarily deviated from the symmetry axis of transverse isotropy. The simulation results show that the amplitudes of flexural modes vary with the dipole orientation because the permeability tensor of the formation is dependent on the wellbore azimuth. It is revealed that the attenuation of the flexural wave increases approximately linearly with the radial permeability component in the direction of the transmitting dipole. Particularly, when the borehole axis is perpendicular to the symmetry axis of the formation, it is possible to estimate the anisotropy of permeability by evaluating attenuation of the flexural wave using a cross-dipole sonic logging tool according to the results of sensitivity analyses. Finally, the dipole sonic logs in a deviated borehole surrounded by a stratified porous formation are modelled using the proposed finite difference code. Numerical results show that the arrivals and amplitudes of transmitted flexural modes near the layer interface are sensitive to the wellbore inclination.

Influence of complex configurations on properties of pygmy dipole resonances

NASA Astrophysics Data System (ADS)

Arsenyev, N. N.; Severyukhin, A. P.; Voronov, V. V.; Van Giai, Nguyen

2018-05-01

Starting from the quasiparticle random phase approximation based on the Skyrme interaction SLy5, we study the effects of phonon-phonon coupling (PPC) on the low-energy electric dipole responses in some spherical nuclei. The inclusion of the PPC results in the formation of low-energy 1‑ states. There is an impact of the PPC effect on low-energy E1 strength. The PPC effect on the electric dipole polarizability is discussed. We predict a strong increase of the summed E1 strength below 10 MeV, with increasing neutron number from 48Ca till 58Ca.

Dipole moments and solvatochromism of metal complexes: principle photophysical and theoretical approach.

PubMed

Loukova, Galina V; Milov, Alexey A; Vasiliev, Vladimir P; Minkin, Vladimir I

2016-07-21

For metal-based compounds, the ground- and excited-state dipole moments and the difference thereof are, for the first time, obtained both experimentally and theoretically using solvatochromic equations and DFT/B3LYP/QZVP calculations. The approach is suggested to be promising and easily accessible, and can be universal to elucidate the electronic properties of metal-based compounds.

Dipole-relaxation parameters for Ce3+-Fint- complexes in CaF2:Ce and CaF2:Ce,Mn

NASA Astrophysics Data System (ADS)

Jassemnejad, B.; McKeever, S. W. S.

1987-12-01

Dipole-relaxation parameters for Ce3+-Fint- centers (C4v symmetry) in CaF2 are calculated using the method of ionic thermocurrents (ITC). The data indicate concentration-dependent effects if analyzed using the traditional ITC equation, assuming a single value for the reorientation activation energy. This analysis is unable to account for an observed broadening of the ITC peak as more Ce is added to the crystals. However, as has been published for other MF2:R3+ systems, we find that the broadening can be successfully accounted for by adopting a modified ITC equation which allows for a Gaussian distribution of activation energies about a mean value E0 and with a distribution width p. The parameter E0 is found to be independent of dipole content while p is found to increase with increasing dipole concentration. The data are consistent with a perturbation of the dipole-relaxation parameters due to interactions with other defects within the system. However, the strength of the observed effects is difficult to explain by invoking electrostatic dipole-dipole interactions only. Other perturbations, due perhaps to monopole-dipole interactions or elastic interactions, must be taking place. The data indicate that dipole concentrations calculated by ITC will be in error in the presence of such interactions due to a reduction in the mean contribution per dipole to the overall polarization density. For samples in which interaction effects are negligible, we calculate a dipole moment of 3.12×10-29 C m. The data further indicate that that the addition of Mn to the system causes a decrease in the interaction effects via a reduction in the Ce C4v center dipole moment. It appears that the broadening of the ITC curve is sensitive to the defect structure surrounding the dipoles.

Ab initio investigation of electric and magnetic dipole electronic transitions in the complex of oxygen with benzene.

PubMed

Valiev, R R; Minaev, B F

2016-09-01

The electric dipole transitions between pure spin and mixed spin electronic states are calculated at the XMC-QDPT2 and MCSCF levels of theory, respectively, for different intermolecular distances of the C6H6 and O2 collisional complex. The magnetic dipole transition moment between the mixed-spin ground ("triplet") and the first excited ("singlet") states is calculated by quadratic response at MCSCF level of theory. The obtained results confirm the theory of intensity borrowing and increasing the intensity of electronic transitions in the C6H6 + O2 collision. The calculation of magnetically induced current density is performed for benzene molecule being in contact with O2 at the distances from 3.5 to 4.5 Å. The calculation shows that the aromaticity of benzene is rising due to the conjugation of π-MOs of both molecules. The C6H6 + O2 complex becomes nonaromatic at the short distances (r < 3.5 Å). The computation of static polarizability in the excited electronic states of the C6H6 + O2 collisional complex at various distances supports the theory of red solvatochromic shift of the a → X band. Graphical abstract The C6H6+ O2 collisional complex.

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex

NASA Astrophysics Data System (ADS)

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C.

2017-08-01

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O2-O2, relevant for the theoretical description of collision-induced absorption in the forbidden X3Σg- → a1Δg and X3Σg- → b1Σg+ bands at 7883 cm-1 and 13 122 cm-1, respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O2-O2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex.

PubMed

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C

2017-08-28

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O 2 -O 2 , relevant for the theoretical description of collision-induced absorption in the forbidden X 3 Σ g -  → a 1 Δ g and X 3 Σ g -  → b 1 Σ g + bands at 7883 cm -1 and 13 122 cm -1 , respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O 2 -O 2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

Wedge disclination dipole in an embedded nanowire within the surface/interface elasticity

NASA Astrophysics Data System (ADS)

Shodja, Hossein M.; Rezazadeh-Kalehbasti, Shaghayegh; Gutkin, Mikhail Yu

2013-12-01

The elastic behavior of an arbitrary oriented wedge disclination dipole located inside a nanowire, which in turn is embedded in an infinite matrix, is studied within the surface/interface theory of elasticity. The corresponding boundary value problem is provided using complex potential functions. The potential functions are defined through modeling the wedge disclination in terms of an equivalent distribution of edge dislocations. The interface effects on the stress field and strain energy of the disclination dipole and image forces acting on it, the influence of relative shear moduli of the nanowire and the matrix, as well as the different characteristics of the interface are studied thoroughly. It is shown that the positive interface modulus leads to increased strain energy and extra repulsive forces on the disclination dipole. The noticeable effect of the negative interface modulus is the non-classical oscillations in the stress field of the disclination dipole and an extra attractive image force on it.

Infrared Laser Stark Spectroscopy and AB Initio Computations of the OH\\cdotsCO Complex

NASA Astrophysics Data System (ADS)

Liang, Tao; Raston, Paul; Douberly, Gary

2014-06-01

Following the sequential pick-up of OH and CO by helium nanodroplets, the infrared depletion spectrum is measured in the fundamental OH stretching region. Although several potentially accessible minima exist on the associated OH + CO reactive potential energy surface [e.g. J. Ma, J. Li, and H. Guo, J. Phys. Chem. Lett. 3 (2012) 2482], such as the weakly bound OH-OC dimer and the chemically bound HOCO molecule, we only observe the weakly bound OH-CO dimer. The rovibrational spectrum of this complex displays narrow (0.02 cm-1) Lorentzian shaped peaks with spacings that are characteristic of a linear complex with unquenched electronic angular momentum, similar to what was previously observed in the gas phase [M.I. Lester, B.V. Pond, D.T. Anderson, L.B. Harding, and A.F. Wagner, J. Chem. Phys. 113 (2000) 9889]. Analogous spectra involving OD were collected, for which we also only observe the OD-CO isomer. From the Stark spectra, the dipole moments for OH-CO are determined to be 1.85(3) and 1.89(3) D for v=0 and v=1, respectively, while the analogous dipole moments for OD-CO are determined to be 1.88(8) and 1.94(5) D. The computed equilibrium ground state dipole moment at the CCSD(T)/Def2-TZVPD level of theory is 2.185 D, in disagreement with experiment. The role of vibrational averaging is investigated via the solution of a three-dimensional vibrational Schrödinger equation, which is constructed in internal bond-angle coordinates. The computed expectation value of the ground state dipole moment is in excellent agreement with experiment, indicating a floppy molecular complex.

High energy diode-pumped solid-state laser development at the Central Laser Facility

NASA Astrophysics Data System (ADS)

Mason, Paul D.; Banerjee, Saumyabrata; Ertel, Klaus; Phillips, P. Jonathan; Butcher, Thomas; Smith, Jodie; De Vido, Mariastefania; Chekhlov, Oleg; Hernandez-Gomez, Cristina; Edwards, Chris; Collier, John

2016-04-01

In this paper we review the development of high energy, nanosecond pulsed diode-pumped solid state lasers within the Central Laser Facility (CLF) based on cryogenic gas cooled multi-slab ceramic Yb:YAG amplifier technology. To date two 10J-scale systems, the DiPOLE prototype amplifier and an improved DIPOLE10 system, have been developed, and most recently a larger scale system, DiPOLE100, designed to produce 100 J pulses at up to 10 Hz. These systems have demonstrated amplification of 10 ns duration pulses at 1030 nm to energies in excess of 10 J at 10 Hz pulse repetition rate, and over 100 J at 1 Hz, with optical-to-optical conversion efficiencies of up to 27%. We present an overview of the cryo-amplifier concept and compare the design features of these three systems, including details of the amplifier designs, gain media, diode pump lasers and the cryogenic gas cooling systems. The most recent performance results from the three systems are presented along with future plans for high energy DPSSL development within the CLF.

Localization and diffusion of tracer particles in viscoelastic media with active force dipoles

NASA Astrophysics Data System (ADS)

Yasuda, Kento; Okamoto, Ryuichi; Komura, Shigeyuki; Mikhailov, Alexander S.

2017-02-01

Optical tracking in vivo experiments reveal that diffusion of particles in biological cells is strongly enhanced in the presence of ATP and the experimental data for animal cells could previously be reproduced within a phenomenological model of a gel with myosin motors acting within it (Fodor É. et al., EPL, 110 (2015) 48005). Here, the two-fluid model of a gel is considered where active macromolecules, described as force dipoles, cyclically operate both in the elastic and the fluid components. Through coarse-graining, effective equations of motions for idealized tracer particles displaying local deformations and local fluid flows are derived. The equation for deformation tracers coincides with the earlier phenomenological model and thus confirms it. For flow tracers, diffusion enhancement caused by active force dipoles in the fluid component, and thus due to metabolic activity, is found. The latter effect may explain why ATP-dependent diffusion enhancement could also be observed in bacteria that lack molecular motors in their skeleton or when the activity of myosin motors was chemically inhibited in eukaryotic cells.

A table top experiment to study plasma confined by a dipole magnet

NASA Astrophysics Data System (ADS)

Bhattacharjee, Sudeep; Baitha, Anuj Ram

2016-10-01

There has been a long quest to understand charged particle generation, confinement and underlying complex processes in a plasma confined by a dipole magnet. Our earth's magnetosphere is an example of such a naturally occurring system. A few laboratory experiments have been designed for such investigations, such as the Levitated Dipole Experiment (LDX) at MIT, the Terella experiment at Columbia university, and the Ring Trap-1 (RT-1) experiment at the University of Tokyo. However, these are large scale experiments, where the dipole magnetic field is created with superconducting coils, thereby, necessitating power supplies and stringent cryogenic requirements. We report a table top experiment to investigate important physical processes in a dipole plasma. A strong cylindrical permanent magnet, is employed to create the dipole field inside a vacuum chamber. The magnet is suspended and cooled by circulating chilled water. The plasma is heated by electromagnetic waves of 2.45 GHz and a second frequency in the range 6 - 11 GHz. Some of the initial results of measurements and numerical simulation of magnetic field, visual observations of the first plasma, and spatial measurements of plasma parameters will be presented.

Structure determination of a key intermediate of the enantioselective Pd complex catalyzed allylic substitution reaction

PubMed

Junker; Reif; Steinhagen; Junker; Felli; Reggelin; Griesinger

2000-09-01

The structure of a catalytic intermediate with important implications for the interpretation of the stereochemical outcome of the palladium complex catalyzed allylic substitution with phosphino-oxazoline (PHOX) ligands is determined by liquid state NMR. The complex displays a novel structure that is highly distorted compared with other palladium eta2-olefin complexes known so far. The structure has been determined from nuclear overhauser data (NOE), scalar coupling constants, and long range projection angle restraints derived from dipole dipole cross-correlated relaxation of multiple quantum coherence. The latter restraints have been implemented into a distance geometry protocol. The projection angle restraints yield a higher precision in the determination of the relative orientation of the two molecular moieties and are essential to provide an exact structural definition of the olefinic part of the catalytic intermediate with respect to the ligand.

Assignment of Pre-edge Features in the Ru K-edge X-ray Absorption Spectra of Organometallic Ruthenium Complexes

PubMed Central

Getty, Kendra; Delgado-Jaime, Mario Ulises

2010-01-01

The nature of the lowest energy bound-state transition in the Ru K-edge X-ray Absorption Spectra for a series of Grubbs-type ruthenium complexes was investigated. The pre-edge feature was unambiguously assigned as resulting from formally electric dipole forbidden Ru 4d←1s transitions. The intensities of these transitions are extremely sensitive to the ligand environment and the symmetry of the metal centre. In centrosymmetric complexes the pre-edge is very weak since it is limited by the weak electric quadrupole intensity mechanism. By contrast, upon breaking centrosymmetry, Ru 5p-4d mixing allows for introduction of electric dipole allowed character resulting in a dramatic increase in the pre-edge intensity. The information content of this approach is explored as it relates to complexes of importance in olefin metathesis and its relevance as a tool for the study of reactive intermediates. PMID:20151030

Toward Protein Structure In Situ: Comparison of Two Bifunctional Rhodamine Adducts of Troponin C

PubMed Central

Julien, Olivier; Sun, Yin-Biao; Knowles, Andrea C.; Brandmeier, Birgit D.; Dale, Robert E.; Trentham, David R.; Corrie, John E. T.; Sykes, Brian D.; Irving, Malcolm

2007-01-01

As part of a program to develop methods for determining protein structure in situ, sTnC was labeled with a bifunctional rhodamine (BR or BSR), cross-linking residues 56 and 63 of its C-helix. NMR spectroscopy of the N-terminal domain of BSR-labeled sTnC in complex with Ca2+ and the troponin I switch peptide (residues 115–131) showed that BSR labeling does not significantly affect the secondary structure of the protein or its dynamics in solution. BR-labeling was previously shown to have no effect on the solution structure of this complex. Isometric force generation in isolated demembranated fibers from rabbit psoas muscle into which BR- or BSR-labeled sTnC had been exchanged showed reduced Ca2+-sensitivity, and this effect was larger with the BSR label. The orientation of rhodamine dipoles with respect to the fiber axis was determined by polarized fluorescence. The mean orientations of the BR and BSR dipoles were almost identical in relaxed muscle, suggesting that both probes accurately report the orientation of the C-helix to which they are attached. The BSR dipole had smaller orientational dispersion, consistent with less flexible linkers between the rhodamine dipole and cysteine-reactive groups. PMID:17483167

Changes in the electric dipole vector of human serum albumin due to complexing with fatty acids.

PubMed Central

Scheider, W; Dintzis, H M; Oncley, J L

1976-01-01

The magnitude of the electric dipole vector of human serum albumin, as measured by the dielectric increment of the isoionic solution, is found to be a sensitive, monotonic indicator of the number of moles (up to at least 5) of long chain fatty acid complexed. The sensitivity is about three times as great as it is in bovine albumin. New methods of analysis of the frequency dispersion of the dielectric constant were developed to ascertain if molecular shape changes also accompany the complexing with fatty acid. Direct two-component rotary diffusion constant analysis is found to be too strongly affected by cross modulation between small systematic errors and physically significant data components to be a reliable measure of structural modification. Multicomponent relaxation profiles are more useful as recognition patterns for structural comparisons, but the equations involved are ill-conditioned and solutions based on standard least-squares regression contain mathematical artifacts which mask the physically significant spectrum. By constraining the solution to non-negative coefficients, the magnitude of the artifacts is reduced to well below the magnitudes of the spectral components. Profiles calculated in this way show no evidence of significant dipole direction or molecular shape change as the albumin is complexed with 1 mol of fatty acid. In these experiments albumin was defatted by incubation with adipose tissue at physiological pH, which avoids passing the protein through the pH of the N-F transition usually required in defatting. Addition of fatty acid from soluion in small amounts of ethanol appears to form a complex indistinguishable from the "native" complex. PMID:6087

Dipole Excitation With A Paul Ion Trap Mass Spectrometer

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

MacAskill, J. A.; Madzunkov, S. M.; Chutjian, A.

Preliminary results are presented for the use of an auxiliary radiofrequency (rf) excitation voltage in combination with a high purity, high voltage rf generator to perform dipole excitation within a high precision Paul ion trap. These results show the effects of the excitation frequency over a continuous frequency range on the resultant mass spectra from the Paul trap with particular emphasis on ion ejection times, ion signal intensity, and peak shapes. Ion ejection times are found to decrease continuously with variations in dipole frequency about several resonant values and show remarkable symmetries. Signal intensities vary in a complex fashion withmore » numerous resonant features and are driven to zero at specific frequency values. Observed intensity variations depict dipole excitations that target ions of all masses as well as individual masses. Substantial increases in mass resolution are obtained with resolving powers for nitrogen increasing from 114 to 325.« less

Monte Carlo simulation of Hamaker nanospheres coated with dipolar particles

NASA Astrophysics Data System (ADS)

Meyra, Ariel G.; Zarragoicoechea, Guillermo J.; Kuz, Victor A.

2012-01-01

Parallel tempering Monte Carlo simulation is carried out in systems of N attractive Hamaker spheres dressed with n dipolar particles, able to move on the surface of the spheres. Different cluster configurations emerge for given values of the control parameters. Energy per sphere, pair distribution functions of spheres and dipoles as function of temperature, density, external electric field, and/or the angular orientation of dipoles are used to analyse the state of aggregation of the system. As a consequence of the non-central interaction, the model predicts complex structures like self-assembly of spheres by a double crown of dipoles. This interesting result could be of help in understanding some recent experiments in colloidal science and biology.

Multi-Polarization Reconfigurable Antenna for Wireless Biomedical System.

PubMed

Wong, Hang; Lin, Wei; Huitema, Laure; Arnaud, Eric

2017-06-01

This paper presents a multi-polarization reconfigurable antenna with four dipole radiators for biomedical applications in body-centric wireless communication system (BWCS). The proposed multi-dipole antenna with switchable 0°, +45°, 90° and -45° linear polarizations is able to overcome the polarization mismatching and multi-path distortion in complex wireless channels as in BWCS. To realize this reconfigurable feature for the first time among all the reported antenna designs, we assembled four dipoles together with 45° rotated sequential arrangements. These dipoles are excited by the same feeding source provided by a ground tapered Balun. A metallic reflector is placed below the dipoles to generate a broadside radiation. By introducing eight PIN diodes as RF switches between the excitation source and the four dipoles, we can control a specific dipole to operate. As the results, 0°, +45°, 90° and -45° linear polarizations can be switched correspondingly to different operating dipoles. Experimental results agree with the simulation and show that the proposed antenna well works in all polarization modes with desirable electrical characteristics. The antenna has a wide impedance bandwidth of 34% from 2.2 to 3.1 GHz (for the reflection coefficient ≤ -10 dB) and exhibits a stable cardioid-shaped radiation pattern across the operating bandwidth with a peak gain of 5.2 dBi. To validate the effectiveness of the multi-dipole antenna for biomedical applications, we also designed a meandered PIFA as the implantable antenna. Finally, the communication link measurement shows that our proposed antenna is able to minimize the polarization mismatching and maintains the optimal communication link thanks to its polarization reconfigurability.

Coupled transport, mixing and biogeochemical reactions in fractured media: experimental observations and modelling at the Ploemeur fractured rock observatory

NASA Astrophysics Data System (ADS)

Le Borgne, T.; Bochet, O.; Klepikova, M.; Kang, P. K.; Shakas, A.; Aquilina, L.; Dufresne, A.; Linde, N.; Dentz, M.; Bour, O.

2016-12-01

Transport processes in fractured media and associated reactions are governed by multiscale heterogeneity ranging from fracture wall roughness at small scale to broadly distributed fracture lengths at network scale. This strong disorder induces a variety of emerging phenomena, including flow channeling, anomalous transport and heat transfer, enhanced mixing and reactive hotspot development. These processes are generally difficult to isolate and monitor in the field because of the high degree of complexity and coupling between them. We report in situ experimental observations from the Ploemeur fractured rock observatory (http://hplus.ore.fr/en/ploemeur) that provide new insights on the dynamics of transport and reaction processes in fractured media. These include dipole and push pull tracer tests that allow understanding and modelling anomalous transport processes characterized by heavy-tailed residence time distributions (Kang et al. 2015), thermal push pull tests that show the existence of highly channeled flow with a strong control on fracture matrix exchanges (Klepikova et al. 2016) and time lapse hydrogeophysical monitoring of saline tracer tests that allow quantifying the distribution of transport length scales governing dispersion processes (Shakas et al. 2016). These transport processes are then shown to induce rapid oxygen delivery and mixing at depth leading to massive biofilm development (Bochet et al., in prep.). Hence, this presentation will attempt to link these observations made at different scales to quantify and model the coupling between flow channeling, non-Fickian transport, mixing and chemical reactions in fractured media. References: Bochet et al. Biofilm blooms driven by enhanced mixing in fractured rock, in prep. Klepikova et al. 2016, Heat as a tracer for understanding transport processes in fractured media: theory and field assessment from multi-scale thermal push-pull tracer tests, Water Resour. Res. 52Shakas et al. 2016, Hydrogeophysical characterization of transport processes in fractured rock by combining push-pull and single-hole ground penetrating radar experiments, Water Resour. Res. 52 Kang et al. 2015, Impact of velocity correlation and distribution on transport in fractured media : Field evidence and theoretical model, Water Resour. Res., 51

Photo-physical and interactional behavior of two members of group B vitamins in different solvent media

NASA Astrophysics Data System (ADS)

Zakerhamidi, M. S.; Zare Haghighi, L.; Seyed Ahmadian, S. M.

2017-09-01

In this paper, absorption and fluorescence spectra of vitamin B12 (cyanocobalamin) and vitamin B6 (pyridoxine) were recorded in solvents with different polarity, at room temperature. These vitamins' photo-physical behavior depends strongly on the solvent's nature along with different attached groups in their structures. In order to investigate the solvent-solute interactions and environmental effect on spectral variations, linear solvation energy relationships concept, suggested by Kamlet and Taft was used. Solvatochromic method was also used for measuring the ground and excited state dipole moments of these vitamins. According to our experimental results, dipole moment of these groups of vitamins in excited state is larger than ground state. Furthermore, obtained photo-physical and interactional properties of used vitamins can give important information on how this group of vitamins behaves in biological systems.

The optimised sc dipole of SIS100 for series production

NASA Astrophysics Data System (ADS)

Roux, Christian; Mierau, Anna; Bleile, Alexander; Fischer, Egbert; Kaether, Florian; Körber, Boris; Schnizer, Pierre; Sugita, Kei; Szwangruber, Piotr

2017-02-01

At the international facility for antiproton and ion research (FAIR) in Darmstadt, Germany, an accelerator complex is developed for fundamental research in various fields of modern physics. In the SIS100 heavy-ion synchrotron, the main accelerator of FAIR, superconducting dipoles are used to bend the particle beam. The fast ramped dipoles are 3 m long super-ferric curved magnets operated at 4.5 K. The demands on field homogeneity required for sufficient beam stability are given by ΔB/B ≤ ±6 · 10-4. An intense measurement program of the First of Series (FoS) dipole showed excellent quench behavior and lower than expected AC losses yielding the main load on the SIS100 cryoplant. The FoS is capable to provide a field strength of 1.9 T. However, with sophisticated measurement systems slight distortions of the dipole field were detected. Those effects were tracked down to mechanical inaccuracies of the yoke proven by appropriate geometrical measurements and simulations. After a survey on alternative fabrication techniques a magnet with a new yoke was built with substantial changes to improve the mechanical accuracy. Its characteristics concerning cryogenic losses, cold geometry and the resulting magnetic-field quality are presented and an outlook on the series production of superconducting dipoles for SIS100 is given.

Multiscale simulations of defect dipole-enhanced electromechanical coupling at dilute defect concentrations

NASA Astrophysics Data System (ADS)

Liu, Shi; Cohen, R. E.

2017-08-01

The role of defects in solids of mixed ionic-covalent bonds such as ferroelectric oxides is complex. Current understanding of defects on ferroelectric properties at the single-defect level remains mostly at the empirical level, and the detailed atomistic mechanisms for many defect-mediated polarization-switching processes have not been convincingly revealed quantum mechanically. We simulate the polarization-electric field (P-E) and strain-electric field (ɛ-E) hysteresis loops for BaTiO3 in the presence of generic defect dipoles with large-scale molecular dynamics and provide a detailed atomistic picture of the defect dipole-enhanced electromechanical coupling. We develop a general first-principles-based atomistic model, enabling a quantitative understanding of the relationship between macroscopic ferroelectric properties and dipolar impurities of different orientations, concentrations, and dipole moments. We find that the collective orientation of dipolar defects relative to the external field is the key microscopic structure feature that strongly affects materials hardening/softening and electromechanical coupling. We show that a small concentration (≈0.1 at. %) of defect dipoles dramatically improves electromechanical responses. This offers the opportunity to improve the performance of inexpensive polycrystalline ferroelectric ceramics through defect dipole engineering for a range of applications including piezoelectric sensors, actuators, and transducers.

Tomographic imaging of flourescence resonance energy transfer in highly light scattering media

NASA Astrophysics Data System (ADS)

Soloviev, Vadim Y.; McGinty, James; Tahir, Khadija B.; Laine, Romain; Stuckey, Daniel W.; Mohan, P. Surya; Hajnal, Joseph V.; Sardini, Alessandro; French, Paul M. W.; Arridge, Simon R.

2010-02-01

Three-dimensional localization of protein conformation changes in turbid media using Förster Resonance Energy Transfer (FRET) was investigated by tomographic fluorescence lifetime imaging (FLIM). FRET occurs when a donor fluorophore, initially in its electronic excited state, transfers energy to an acceptor fluorophore in close proximity through non-radiative dipole-dipole coupling. An acceptor effectively behaves as a quencher of the donor's fluorescence. The quenching process is accompanied by a reduction in the quantum yield and lifetime of the donor fluorophore. Therefore, FRET can be localized by imaging changes in the quantum yield and the fluorescence lifetime of the donor fluorophore. Extending FRET to diffuse optical tomography has potentially important applications such as in vivo studies in small animal. We show that FRET can be localized by reconstructing the quantum yield and lifetime distribution from time-resolved non-invasive boundary measurements of fluorescence and transmitted excitation radiation. Image reconstruction was obtained by an inverse scattering algorithm. Thus we report, to the best of our knowledge, the first tomographic FLIM-FRET imaging in turbid media. The approach is demonstrated by imaging a highly scattering cylindrical phantom concealing two thin wells containing cytosol preparations of HEK293 cells expressing TN-L15, a cytosolic genetically-encoded calcium FRET sensor. A 10mM calcium chloride solution was added to one of the wells to induce a protein conformation change upon binding to TN-L15, resulting in FRET and a corresponding decrease in the donor fluorescence lifetime. The resulting fluorescence lifetime distribution, the quantum efficiency, absorption and scattering coefficients were reconstructed.

The dipole moment of the electron carrier adrenodoxin is not critical for redox partner interaction and electron transfer.

PubMed

Hannemann, Frank; Guyot, Arnaud; Zöllner, Andy; Müller, Jürgen J; Heinemann, Udo; Bernhardt, Rita

2009-07-01

Dipole moments of proteins arise from helical dipoles, hydrogen bond networks and charged groups at the protein surface. High protein dipole moments were suggested to contribute to the electrostatic steering between redox partners in electron transport chains of respiration, photosynthesis and steroid biosynthesis, although so far experimental evidence for this hypothesis was missing. In order to probe this assumption, we changed the dipole moment of the electron transfer protein adrenodoxin and investigated the influence of this on protein-protein interactions and electron transfer. In bovine adrenodoxin, the [2Fe-2S] ferredoxin of the adrenal glands, a dipole moment of 803 Debye was calculated for a full-length adrenodoxin model based on the Adx(4-108) and the wild type adrenodoxin crystal structures. Large distances and asymmetric distribution of the charged residues in the molecule mainly determine the observed high value. In order to analyse the influence of the resulting inhomogeneous electric field on the biological function of this electron carrier the molecular dipole moment was systematically changed. Five recombinant adrenodoxin mutants with successively reduced dipole moment (from 600 to 200 Debye) were analysed for their redox properties, their binding affinities to the redox partner proteins and for their function during electron transfer-dependent steroid hydroxylation. None of the mutants, not even the quadruple mutant K6E/K22Q/K24Q/K98E with a dipole moment reduced by about 70% showed significant changes in the protein function as compared with the unmodified adrenodoxin demonstrating that neither the formation of the transient complex nor the biological activity of the electron transfer chain of the endocrine glands was affected. This is the first experimental evidence that the high dipole moment observed in electron transfer proteins is not involved in electrostatic steering among the proteins in the redox chain.

Joint Services Electronics Program

NASA Astrophysics Data System (ADS)

Tinkham, Michael

1989-07-01

Topics addressed include: Electronic Theory of Semiconductor Alloys and Superlattices; Pressure Dependence of Photo Luminescence Excitation in GaAs/Al(x)Ga(1-x)As Multi-Quantum Wells; X Ray Surface Characterization; High Temperature Superconductivity; Quantum and Charging Phenomena in Mesoscopic Josephson Junctions; Nonlinear Dynamics of Electronic Neural Networks; Structural and Electronic Studies of Semiconductor Interfaces and Surfaces; Interaction of Ultrashort Laser Pulses with Semiconductor Surfaces; Multiphoton Vibrational Excitation of Molecules; Analytical and Numerical Determination of the Fields of Antennas near an Interface Between Two Half-Spaces with Significantly Different Wave Numbers; Theoretical Study of Lateral-Wave Propagation in Horizontally-Layered Media; Lateral Electromagnetic Waves from a Horizontal Antenna for Remote Sensing in the Ocean; Lateral Electromagnetic Pulses Generated by Horizontal and Vertical Dipoles on the Boundary Between Two Dielectrics; Theoretical Study of Isolated and Coupled Strip Antennas; Theoretical Study of Electromagnetic Pulses with a Slow Rate of Decay; Experimental Study of Electromagnetic Pulses with a Slow Rate of Decay; Properties of Closed Loops of Pseudodipoles; Asymptotic Solution for the Charge and Current Near the Open End of a Linear Tubular Antenna; Closed Loops of Parallel Coplanar Dipoles - Electrically Short Elements; Harmonic Generation in High-Temperature Superconductors and Resonant Closed Loops of Dipoles.

Molecular Orientation of a Terbium(III)-Phthalocyaninato Double-Decker Complex for Effective Suppression of Quantum Tunneling of the Magnetization.

PubMed

Yamabayashi, Tsutomu; Katoh, Keiichi; Breedlove, Brian K; Yamashita, Masahiro

2017-06-15

Single-molecule magnet (SMM) properties of crystals of a terbium(III)-phthalocyaninato double-decker complex with different molecular packings ( 1 : TbPc₂, 2 : TbPc₂·CH₂Cl₂) were studied to elucidate the relationship between the molecular packing and SMM properties. From single crystal X-ray analyses, the high symmetry of the coordination environment of 2 suggested that the SMM properties were improved. Furthermore, the shorter intermolecular Tb-Tb distance and relative collinear alignment of the magnetic dipole in 2 indicated that the magnetic dipole-dipole interactions were stronger than those in 1 . This was confirmed by using direct current magnetic measurements. From alternating current magnetic measurements, the activation energy for spin reversal for 1 and 2 were similar. However, the relaxation time for 2 is three orders of magnitude slower than that for 1 in the low- T region due to effective suppression of the quantum tunneling of the magnetization. These results suggest that the SMM properties of TbPc₂ highly depend on the molecular packing.

Coupled channel effects on resonance states of positronic alkali atom

NASA Astrophysics Data System (ADS)

Yamashita, Takuma; Kino, Yasushi

2018-01-01

S-wave Feshbach resonance states belonging to dipole series in positronic alkali atoms (e+Li, e+Na, e+K, e+Rb and e+Cs) are studied by coupled-channel calculations within a three-body model. Resonance energies and widths below a dissociation threshold of alkali-ion and positronium are calculated with a complex scaling method. Extended model potentials that provide positronic pseudo-alkali-atoms are introduced to investigate the relationship between the resonance states and dissociation thresholds based on a three-body dynamics. Resonances of the dipole series below a dissociation threshold of alkali-atom and positron would have some associations with atomic energy levels that results in longer resonance lifetimes than the prediction of the analytical law derived from the ion-dipole interaction.

Distance measurements in Au nanoparticles functionalized with nitroxide radicals and Gd(3+)-DTPA chelate complexes.

PubMed

Yulikov, Maxim; Lueders, Petra; Warsi, Muhammad Farooq; Chechik, Victor; Jeschke, Gunnar

2012-08-14

Nanosized gold particles were functionalised with two types of paramagnetic surface tags, one having a nitroxide radical and the other one carrying a DTPA complex loaded with Gd(3+). Selective measurements of nitroxide-nitroxide, Gd(3+)-nitroxide and Gd(3+)-Gd(3+) distances were performed on this system and information on the distance distribution in the three types of spin pairs was obtained. A numerical analysis of the dipolar frequency distributions is presented for Gd(3+) centres with moderate magnitudes of zero-field splitting, in the range of detection frequencies and resonance fields where the high-field approximation is only roughly valid. The dipolar frequency analysis confirms the applicability of DEER for distance measurements in such complexes and gives an estimate for the magnitudes of possible systematic errors due to the non-ideality of the measurement of the dipole-dipole interaction.

Infrared Stark and Zeeman spectroscopy of OH–CO: The entrance channel complex along the OH + CO → trans-HOCO reaction pathway

DOE PAGES

Brice, Joseph T.; Liang, Tao; Raston, Paul L.; ...

2016-09-27

Here, sequential capture of OH and CO by superfluid helium droplets leads exclusively to the formation of the linear, entrance-channel complex, OH-CO. This species is characterized by infrared laser Stark and Zeeman spectroscopy via measurements of the fundamental OH stretching vibration. Experimental dipole moments are in disagreement with ab initio calculations at the equilibrium geometry, indicating large-amplitude motion on the ground state potential energy surface. Vibrational averaging along the hydroxyl bending coordinate recovers 80% of the observed deviation from the equilibrium dipole moment. Inhomogeneous line broadening in the zero-field spectrum is modeled with an effective Hamiltonian approach that aims tomore » account for the anisotropic molecule-helium interaction potential that arises as the OH-CO complex is displaced from the center of the droplet.« less

Red/blue shifting hydrogen bonds in acetonitrile-dimethyl sulphoxide solutions: FTIR and theoretical studies

NASA Astrophysics Data System (ADS)

Kannan, P. P.; Karthick, N. K.; Mahendraprabu, A.; Shanmugam, R.; Elangovan, A.; Arivazhagan, G.

2017-07-01

FTIR spectra of neat acetonitrile (AN), dimethyl sulphoxide (DMSO) and their binary solutions at various mole fractions have been recorded at room temperature. Theoretical calculations have also been carried out on acetonitrile (monomer, dimer), dimethyl sulphoxide (monomer, dimer) and AN - DMSO complex molecules. 1:2 (AN:DMSO) and 2:1 complexation through the red shifting (AN) C - H ⋯ O = S(DMSO) and blue shifting (DMSO) C - H ⋯ N ≡ C(AN) hydrogen bonds has been identified. The experimental and theoretical studies favour the presence of both the monomer and dimer in liquid AN, but only closed dimers in DMSO. The dipole-dipole interactions existed in AN and DMSO dimers disappear in the complex molecules. Partial π bond between S and O atoms, and three lone pair of electrons on oxygen atom of DMSO have been noticed theoretically.

Switching industrial production processes from complex to defined media: method development and case study using the example of Penicillium chrysogenum.

PubMed

Posch, Andreas E; Spadiut, Oliver; Herwig, Christoph

2012-06-22

Filamentous fungi are versatile cell factories and widely used for the production of antibiotics, organic acids, enzymes and other industrially relevant compounds at large scale. As a fact, industrial production processes employing filamentous fungi are commonly based on complex raw materials. However, considerable lot-to-lot variability of complex media ingredients not only demands for exhaustive incoming components inspection and quality control, but unavoidably affects process stability and performance. Thus, switching bioprocesses from complex to defined media is highly desirable. This study presents a strategy for strain characterization of filamentous fungi on partly complex media using redundant mass balancing techniques. Applying the suggested method, interdependencies between specific biomass and side-product formation rates, production of fructooligosaccharides, specific complex media component uptake rates and fungal strains were revealed. A 2-fold increase of the overall penicillin space time yield and a 3-fold increase in the maximum specific penicillin formation rate were reached in defined media compared to complex media. The newly developed methodology enabled fast characterization of two different industrial Penicillium chrysogenum candidate strains on complex media based on specific complex media component uptake kinetics and identification of the most promising strain for switching the process from complex to defined conditions. Characterization at different complex/defined media ratios using only a limited number of analytical methods allowed maximizing the overall industrial objectives of increasing both, method throughput and the generation of scientific process understanding.

Switching industrial production processes from complex to defined media: method development and case study using the example of Penicillium chrysogenum

PubMed Central

2012-01-01

Background Filamentous fungi are versatile cell factories and widely used for the production of antibiotics, organic acids, enzymes and other industrially relevant compounds at large scale. As a fact, industrial production processes employing filamentous fungi are commonly based on complex raw materials. However, considerable lot-to-lot variability of complex media ingredients not only demands for exhaustive incoming components inspection and quality control, but unavoidably affects process stability and performance. Thus, switching bioprocesses from complex to defined media is highly desirable. Results This study presents a strategy for strain characterization of filamentous fungi on partly complex media using redundant mass balancing techniques. Applying the suggested method, interdependencies between specific biomass and side-product formation rates, production of fructooligosaccharides, specific complex media component uptake rates and fungal strains were revealed. A 2-fold increase of the overall penicillin space time yield and a 3-fold increase in the maximum specific penicillin formation rate were reached in defined media compared to complex media. Conclusions The newly developed methodology enabled fast characterization of two different industrial Penicillium chrysogenum candidate strains on complex media based on specific complex media component uptake kinetics and identification of the most promising strain for switching the process from complex to defined conditions. Characterization at different complex/defined media ratios using only a limited number of analytical methods allowed maximizing the overall industrial objectives of increasing both, method throughput and the generation of scientific process understanding. PMID:22727013

The electric dipole moment of DNA-binding HU protein calculated by the use of an NMR database.

PubMed

Takashima, S; Yamaoka, K

1999-08-30

Electric birefringence measurements indicated the presence of a large permanent dipole moment in HU protein-DNA complex. In order to substantiate this observation, numerical computation of the dipole moment of HU protein homodimer was carried out by using NMR protein databases. The dipole moments of globular proteins have hitherto been calculated with X-ray databases and NMR data have never been used before. The advantages of NMR databases are: (a) NMR data are obtained, unlike X-ray databases, using protein solutions. Accordingly, this method eliminates the bothersome question as to the possible alteration of the protein structure due to the transition from the crystalline state to the solution state. This question is particularly important for proteins such as HU protein which has some degree of internal flexibility; (b) the three-dimensional coordinates of hydrogen atoms in protein molecules can be determined with a sufficient resolution and this enables the N-H as well as C = O bond moments to be calculated. Since the NMR database of HU protein from Bacillus stearothermophilus consists of 25 models, the surface charge as well as the core dipole moments were computed for each of these structures. The results of these calculations show that the net permanent dipole moments of HU protein homodimer is approximately 500-530 D (1 D = 3.33 x 10(-30) Cm) at pH 7.5 and 600-630 D at the isoelectric point (pH 10.5). These permanent dipole moments are unusually large for a small protein of the size of 19.5 kDa. Nevertheless, the result of numerical calculations is compatible with the electro-optical observation, confirming a very large dipole moment in this protein.

Near field of an oscillating electric dipole and cross-polarization of a collimated beam of light: Two sides of the same coin

NASA Astrophysics Data System (ADS)

Aiello, Andrea; Ornigotti, Marco

2014-09-01

We address the question of whether there exists a hidden relationship between the near-field distribution generated by an oscillating electric dipole and the so-called cross-polarization of a collimated beam of light. We find that the answer is affirmative by showing that the complex field distributions occurring in both cases have a common physical origin: the requirement that the electromagnetic fields must be transverse.

Reinforced self-assembly of donor-acceptor π-conjugated molecules to DNA templates by dipole-dipole interactions together with complementary hydrogen bonding interactions for biomimetics.

PubMed

Yang, Wanggui; Chen, Yali; Wong, Man Shing; Lo, Pik Kwan

2012-10-08

One of the most important criteria for the successful DNA-templated polymerization to generate fully synthetic biomimetic polymers is to design the complementary structural monomers, which assemble to the templates strongly and precisely before carrying polymerization. In this study, water-soluble, laterally thymine-substituted donor-acceptor π-conjugated molecules were designed and synthesized to self-assemble with complementary oligoadenines templates, dA(20) and dA(40), into stable and tubular assemblies through noncovalent interactions including π-π stacking, dipole-dipole interactions, and the complementary adenine-thymine (A-T) hydrogen-bonding. UV-vis, fluorescence, circular dichroism (CD), atomic force microscopy (AFM), and transmission electron microscopy (TEM) techniques were used to investigate the formation of highly robust nanofibrous structures. Our results have demonstrated for the first time that the dipole-dipole interactions are stronger and useful to reinforce the assembly of donor-acceptor π-conjugated molecules to DNA templates and the formation of the stable and robust supramolecular nanofibrous complexes together with the complementary hydrogen bonding interactions. This provides an initial step toward DNA-templated polymerization to create fully synthetic DNA-mimetic polymers for biotechnological applications. This study also presents an opportunity to precisely position donor-acceptor type molecules in a controlled manner and tailor-make advanced materials for various biotechnological applications.

Exploration of resistive targets within shallow marine environments using the circular electrical dipole and the differential electrical dipole methods: a time-domain modelling study

NASA Astrophysics Data System (ADS)

Haroon, Amir; Mogilatov, Vladimir; Goldman, Mark; Bergers, Rainer; Tezkan, Bülent

2016-05-01

Two novel transient controlled source electromagnetic methods called circular electrical dipole (CED) and differential electrical dipole (DED) are theoretically analysed for applications in shallow marine environments. 1-D and 3-D time-domain modelling studies are used to investigate the detectability and applicability of the methods when investigating resistive layers/targets representing hydrocarbon-saturated formations. The results are compared to the conventional time-domain horizontal electrical dipole (HED) and vertical electrical dipole (VED) sources. The applied theoretical modelling studies demonstrate that CED and DED have higher signal detectability towards resistive targets compared to TD-CSEM, but demonstrate significantly poorer signal amplitudes. Future CED/DED applications will have to solve this issue prior to measuring. Furthermore, the two novel methods have very similar detectability characteristics towards 3-D resistive targets embedded in marine sediments as VED while being less susceptible towards non-verticality. Due to the complex transmitter design of CED/DED the systems are prone to geometrical errors. Modelling studies show that even small transmitter inaccuracies have strong effects on the signal characteristics of CED making an actual marine application difficult at the present time. In contrast, the DED signal is less affected by geometrical errors in comparison to CED and may therefore be more adequate for marine applications.

Understanding the complexation of Eu3+ with potential ligands used for preferential separation of lanthanides and actinides in various stages of nuclear fuel cycle: A luminescence investigation.

PubMed

Sengupta, Arijit; Kadam, R M

2017-02-15

A systematic photoluminescence based investigation was carried out to understand the complexation of Eu 3+ with different ligands (TBP: tri-n-butyl phosphate, DHOA: di-n-hexyl octanamide, Cyanex 923: tri-n-alkyl phosphine oxide and Cyanex 272: Bis (2,4,4 trimethyl) pentyl phosphinic acid) used for preferential separation of lanthanides and actinides in various stages of nuclear fuel cycle. In case of TBP and DHOA complexes, 3 ligand molecules coordinated in monodentate fashion and 3 nitrate ion in bidentate fashion to Eu 3+ to satisfy the 9 coordination of Eu. In case of Cyanex 923 and Cyanex 272 complexes, 3 ligand molecules, 3 nitrate ion and 3 water molecules coordinated to Eu 3+ in monodentate fashion. The Eu complexes of TBP and DHOA were found to have D 3h local symmetry while that for Cyanex 923 and Cyanex 272 were C 3h . Judd-Ofelt analysis of these systems revealed that the covalency of EuO bond followed the trend DHOA>TBP>Cyanex 272>Cyanex 923. Different photophysical properties like radiative and non-radiative life time, branching ratio for different transitions, magnetic and electric dipole moment transition probabilities and quantum efficiency were also evaluated and compared for these systems. The magnetic dipole transition probability was found to be almost independent of ligand field perturbation while electric dipole transition probability for 5 D 0 - 7 F 2 transition was found to be hypersensitive with ligand field with a trend DHOA>TBP>Cyanex 272>Cyanex 923. Copyright © 2016 Elsevier B.V. All rights reserved.

Understanding the complexation of Eu3 + with potential ligands used for preferential separation of lanthanides and actinides in various stages of nuclear fuel cycle: A luminescence investigation

NASA Astrophysics Data System (ADS)

Sengupta, Arijit; Kadam, R. M.

2017-02-01

A systematic photoluminescence based investigation was carried out to understand the complexation of Eu3 + with different ligands (TBP: tri-n-butyl phosphate, DHOA: di-n-hexyl octanamide, Cyanex 923: tri-n-alkyl phosphine oxide and Cyanex 272: Bis (2,4,4 trimethyl) pentyl phosphinic acid) used for preferential separation of lanthanides and actinides in various stages of nuclear fuel cycle. In case of TBP and DHOA complexes, 3 ligand molecules coordinated in monodentate fashion and 3 nitrate ion in bidentate fashion to Eu3 + to satisfy the 9 coordination of Eu. In case of Cyanex 923 and Cyanex 272 complexes, 3 ligand molecules, 3 nitrate ion and 3 water molecules coordinated to Eu3 + in monodentate fashion. The Eu complexes of TBP and DHOA were found to have D3h local symmetry while that for Cyanex 923 and Cyanex 272 were C3h. Judd-Ofelt analysis of these systems revealed that the covalency of Eusbnd O bond followed the trend DHOA > TBP > Cyanex 272 > Cyanex 923. Different photophysical properties like radiative and non-radiative life time, branching ratio for different transitions, magnetic and electric dipole moment transition probabilities and quantum efficiency were also evaluated and compared for these systems. The magnetic dipole transition probability was found to be almost independent of ligand field perturbation while electric dipole transition probability for 5D0-7F2 transition was found to be hypersensitive with ligand field with a trend DHOA > TBP > Cyanex 272 > Cyanex 923. Supplementary Table 2: Determination of inner sphere water molecules from the different empirical formulae reported in the literature.

Compensating for Electrode Polarization in Dielectric Spectroscopy Studies of Colloidal Suspensions: Theoretical Assessment of Existing Methods

PubMed Central

Chassagne, Claire; Dubois, Emmanuelle; Jiménez, María L.; van der Ploeg, J. P. M; van Turnhout, Jan

2016-01-01

Dielectric spectroscopy can be used to determine the dipole moment of colloidal particles from which important interfacial electrokinetic properties, for instance their zeta potential, can be deduced. Unfortunately, dielectric spectroscopy measurements are hampered by electrode polarization (EP). In this article, we review several procedures to compensate for this effect. First EP in electrolyte solutions is described: the complex conductivity is derived as function of frequency, for two cell geometries (planar and cylindrical) with blocking electrodes. The corresponding equivalent circuit for the electrolyte solution is given for each geometry. This equivalent circuit model is extended to suspensions. The complex conductivity of a suspension, in the presence of EP, is then calculated from the impedance. Different methods for compensating for EP are critically assessed, with the help of the theoretical findings. Their limit of validity is given in terms of characteristic frequencies. We can identify with one of these frequencies the frequency range within which data uncorrected for EP may be used to assess the dipole moment of colloidal particles. In order to extract this dipole moment from the measured data, two methods are reviewed: one is based on the use of existing models for the complex conductivity of suspensions, the other is the logarithmic derivative method. An extension to multiple relaxations of the logarithmic derivative method is proposed. PMID:27486575

Gravity-Driven Flow of non-Newtonian Fluids in Heterogeneous Porous Media: a Theoretical and Experimental Analysis

NASA Astrophysics Data System (ADS)

Di Federico, V.; Longo, S.; Ciriello, V.; Chiapponi, L.

2015-12-01

A theoretical and experimental analysis of non-Newtonian gravity-driven flow in porous media with spatially variable properties is presented. The motivation for our study is the rheological complexity exhibited by several environmental contaminants (wastewater sludge, oil pollutants, waste produced by the minerals and coal industries) and remediation agents (suspensions employed to enhance the efficiency of in-situ remediation). Natural porous media are inherently heterogeneous, and this heterogeneity influences the extent and shape of the porous domain invaded by the contaminant or remediation agent. To grasp the combined effect of rheology and spatial heterogeneity, we consider: a) the release of a thin current of non-Newtonian power-law fluid into a 2-D, semi-infinite and saturated porous medium above a horizontal bed; b) perfectly stratified media, with permeability and porosity varying along the direction transverse (vertical) or parallel (horizontal) to the flow direction. This continuous variation of spatial properties is described by two additional parameters. In order to represent several possible spreading scenarios, we consider: i) instantaneous injection with constant mass; ii) continuous injection with time-variable mass; iii) instantaneous release of a mound of fluid, which can drain freely out of the formation at the origin (dipole flow). Under these assumptions, scalings for current length and thickness are derived in self similar form. An analysis of the conditions on model parameters required to avoid an unphysical or asymptotically invalid result is presented. Theoretical results are validated against multiple sets of experiments, conducted for different combinations of spreading scenarios and types of stratification. Two basic setups are employed for the experiments: I) direct flow simulation in an artificial porous medium constructed superimposing layers of glass beads of different diameter; II) a Hele-Shaw (HS) analogue made of two parallel plates set at an angle. The HS analogy is extended to power-law fluid flow in porous media with variable properties parallel or transverse to the flow direction. Comparison with experimental results show that the proposed models capture the propagation of the current front and the current profile at intermediate and late time.

IR Spectra of (HCOOH)2 and (DCOOH)2: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment Surfaces.

PubMed

Qu, Chen; Bowman, Joel M

2018-05-17

We report quantum VSCF/VCI and ab initio molecular dynamics (AIMD) calculations of the IR spectra of (HCOOH) 2 and (DCOOH) 2 , using full-dimensional, ab initio potential energy and dipole moment surfaces (PES and DMS). These surfaces are fits, using permutationally invariant polynomials, to 13 475 ab initio CCSD(T)-F12a electronic energies and MP2 dipole moments. Here "AIMD" means using these ab initio potential and dipole moment surfaces in the MD calculations. The VSCF/VCI calculations use all (24) normal modes for coupling, with a four-mode representation of the potential. The quantum spectra align well with jet-cooled and room-temperature experimental spectra over the spectral range 600-3600 cm -1 . Analyses of the complex O-H and C-H stretch bands are made based on the mixing of the VSCF/VCI basis functions. The comparisons of the AIMD IR spectra with both experimental and VSCF/VCI ones provide tests of the accuracy of the AIMD approach. These indicate good accuracy for simple bands but not for the complex O-H stretch band, which is upshifted from experimental and VSCF/VCI bands by roughly 300 cm -1 . In addition to testing the AIMD approach, the PES, DMS, and VSCF/VCI calculations for formic acid dimer provide opportunities for testing other methods to represent high-dimensional data and other methods that perform postharmonic vibrational calculations.

Generalized Faxén's theorem: Evaluating first-order (hydrodynamic drag) and second-order (acoustic radiation) forces on finite-sized rigid particles, bubbles and droplets in arbitrary complex flows

NASA Astrophysics Data System (ADS)

Annamalai, Subramanian; Balachandar, S.

2016-11-01

In recent times, study of complex disperse multiphase problems involving several million particles (e.g. volcanic eruptions, spray control etc.) is garnering momentum. The objective of this work is to present an accurate model (termed generalized Faxén's theorem) to predict the hydrodynamic forces on such inclusions (particles/bubbles/droplets) without having to solve for the details of flow around them. The model is developed using acoustic theory and the force obtained as a summation of infinite series (monopole, dipole and higher sources). The first-order force is the time-dependent hydrodynamic drag force arising from the dipole component due to interaction between the gas and the inclusion at the microscale level. The second-order force however is a time-averaged differential force (contributions arise both from monopole and dipole), also known as the acoustic radiation force primarily used to levitate particles. In this work, the monopole and dipole strengths are represented in terms of particle surface and volume averages of the incoming flow properties and therefore applicable to particle sizes of the order of fluid length scale and subjected to any arbitrary flow. Moreover, this model can also be used to account for inter-particle coupling due to neighboring particles. U.S. DoE, NNSA, Advanced Simulation and Computing Program, Cooperative Agreement under PSAAP-II, Contract No. DE-NA0002378.

Applicability of the single equivalent point dipole model to represent a spatially distributed bio-electrical source

NASA Technical Reports Server (NTRS)

Armoundas, A. A.; Feldman, A. B.; Sherman, D. A.; Cohen, R. J.

2001-01-01

Although the single equivalent point dipole model has been used to represent well-localised bio-electrical sources, in realistic situations the source is distributed. Consequently, position estimates of point dipoles determined by inverse algorithms suffer from systematic error due to the non-exact applicability of the inverse model. In realistic situations, this systematic error cannot be avoided, a limitation that is independent of the complexity of the torso model used. This study quantitatively investigates the intrinsic limitations in the assignment of a location to the equivalent dipole due to distributed electrical source. To simulate arrhythmic activity in the heart, a model of a wave of depolarisation spreading from a focal source over the surface of a spherical shell is used. The activity is represented by a sequence of concentric belt sources (obtained by slicing the shell with a sequence of parallel plane pairs), with constant dipole moment per unit length (circumferentially) directed parallel to the propagation direction. The distributed source is represented by N dipoles at equal arc lengths along the belt. The sum of the dipole potentials is calculated at predefined electrode locations. The inverse problem involves finding a single equivalent point dipole that best reproduces the electrode potentials due to the distributed source. The inverse problem is implemented by minimising the chi2 per degree of freedom. It is found that the trajectory traced by the equivalent dipole is sensitive to the location of the spherical shell relative to the fixed electrodes. It is shown that this trajectory does not coincide with the sequence of geometrical centres of the consecutive belt sources. For distributed sources within a bounded spherical medium, displaced from the sphere's centre by 40% of the sphere's radius, it is found that the error in the equivalent dipole location varies from 3 to 20% for sources with size between 5 and 50% of the sphere's radius. Finally, a method is devised to obtain the size of the distributed source during the cardiac cycle.

Hybrid immersed interface-immersed boundary methods for AC dielectrophoresis

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

Hossan, Mohammad Robiul; Department of Engineering and Physics, University of Central Oklahoma, Edmond, OK 73034-5209; Dillon, Robert

2014-08-01

Dielectrophoresis, a nonlinear electrokinetic transport mechanism, has become popular in many engineering applications including manipulation, characterization and actuation of biomaterials, particles and biological cells. In this paper, we present a hybrid immersed interface–immersed boundary method to study AC dielectrophoresis where an algorithm is developed to solve the complex Poisson equation using a real variable formulation. An immersed interface method is employed to obtain the AC electric field in a fluid media with suspended particles and an immersed boundary method is used for the fluid equations and particle transport. The convergence of the proposed algorithm as well as validation of themore » hybrid scheme with experimental results is presented. In this paper, the Maxwell stress tensor is used to calculate the dielectrophoretic force acting on particles by considering the physical effect of particles in the computational domain. Thus, this study eliminates the approximations used in point dipole methods for calculating dielectrophoretic force. A comparative study between Maxwell stress tensor and point dipole methods for computing dielectrophoretic forces are presented. The hybrid method is used to investigate the physics of dielectrophoresis in microfluidic devices using an AC electric field. The numerical results show that with proper design and appropriate selection of applied potential and frequency, global electric field minima can be obtained to facilitate multiple particle trapping by exploiting the mechanism of negative dielectrophoresis. Our numerical results also show that electrically neutral particles form a chain parallel to the applied electric field irrespective of their initial orientation when an AC electric field is applied. This proposed hybrid numerical scheme will help to better understand dielectrophoresis and to design and optimize microfluidic devices.« less

Subnanosecond spectrofluorimetry of new indolocarbazole derivatives in solutions and protein complexes and their dipole moments

NASA Astrophysics Data System (ADS)

Nemkovich, N. A.; Kruchenok, Yu. V.; Sobchuk, A. N.; Detert, H.; Wrobel, N.; Chernyavskiĭ, E. A.

2009-08-01

The spectral and temporal characteristics of new 6,12-dimethoxyindolo[3,2- b]carbazole, 5,11-dimethyl-6,12-dimethoxyindolo[3,2- b]carbazole, and 5,11-dihexyl-6,12-di(hexyloxy)indolo[3,2- b]carbazole fluorescence probes in organic solvents and protein complexes are studied. The dipole moments of indolocarbazoles in 1,4-dioxane were measured by electrooptical absorption method. The measured dipole moments have values within the range of (3.1-3.6) × 10-30 C m in the equilibrium ground state and increase to (4.8-5.6) × 10-30 C m after excitation. The excited state lifetime of indolocarbazole derivatives increases with increasing polarity and viscosity of the environment. The binding of indolocarbazoles with trypsinogen and human serum albumin increases the fluorescence intensity, changes the intensity ratio of fluorescence bands, and increases the average excited state lifetime of indolocarbazoles. The analysis of the instantaneous fluorescence spectra and fluorescence decay parameters at different wavelengths revealed the existence of several types of probe binding sites in proteins. It is found that the fluorescence characteristics of indolocarbazole derivatives depend on the conformation rearrangements of trypsinogen due to its thermal denaturation.

A mathematical model of extremely low frequency ocean induced electromagnetic noise

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

Dautta, Manik, E-mail: manik.dautta@anyeshan.com; Faruque, Rumana Binte, E-mail: rumana.faruque@anyeshan.com; Islam, Rakibul, E-mail: rakibul.islam@anyeshan.com

2016-07-12

Magnetic Anomaly Detection (MAD) system uses the principle that ferromagnetic objects disturb the magnetic lines of force of the earth. These lines of force are able to pass through both water and air in similar manners. A MAD system, usually mounted on an aerial vehicle, is thus often employed to confirm the detection and accomplish localization of large ferromagnetic objects submerged in a sea-water environment. However, the total magnetic signal encountered by a MAD system includes contributions from a myriad of low to Extremely Low Frequency (ELF) sources. The goal of the MAD system is to detect small anomaly signalsmore » in the midst of these low-frequency interfering signals. Both the Range of Detection (R{sub d}) and the Probability of Detection (P{sub d}) are limited by the ratio of anomaly signal strength to the interfering magnetic noise. In this paper, we report a generic mathematical model to estimate the signal-to-noise ratio or SNR. Since time-variant electro-magnetic signals are affected by conduction losses due to sea-water conductivity and the presence of air-water interface, we employ the general formulation of dipole induced electromagnetic field propagation in stratified media [1]. As a first step we employ a volumetric distribution of isolated elementary magnetic dipoles, each having its own dipole strength and orientation, to estimate the magnetic noise observed by a MAD system. Numerical results are presented for a few realizations out of an ensemble of possible realizations of elementary dipole source distributions.« less

Cooperativity between various types of polar solute-solvent interactions in aqueous media.

PubMed

Madeira, Pedro P; Bessa, Ana; Loureiro, Joana A; Álvares-Ribeiro, Luís; Rodrigues, Alírio E; Zaslavsky, Boris Y

2015-08-21

Partition coefficients of seven low molecular weight compounds were measured in multiple aqueous two-phase systems (ATPSs) formed by pairs of different polymers. The ionic composition of each ATPS was varied to include 0.01M sodium phosphate buffer (NaPB), pH 7.4 and 0.1M Na2SO4, 0.15M NaCl, and 0.15M NaClO4 all in 0.01M NaPB, pH 7.4. The differences between the solvent features of the coexisting phases in all the ATPSs were estimated from partitioning of a homologous series of dinitrophenylated-amino acids and by the solvatochromic method. The solute-specific coefficients for the compounds examined were determined by the multiple linear regression analysis using the modified linear solvation energy relationship equation. It is established that the solute specific coefficients characterizing different types of the solute-water interactions (dipole-dipole, dipole-ion, and H-bonding) for a given solute change in the presence of different salt additives in the solute specific manner. It is also found that these characteristics are linearly interrelated. It is suggested that there is a cooperativity between various types of solute-water interactions governed by the solute structure. Copyright © 2015 Elsevier B.V. All rights reserved.

Structural and photophysical properties of (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-1-yl) prop-2-en-1-one (DPNP) in different media.

PubMed

Pannipara, Mehboobali; Asiri, Abdullah M; Alamry, Khalid A; Salem, Ibrahim A; El-Daly, Samy A

2015-01-01

The spectral and photophysical properties of a new chalcone derivative (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-1-yl) prop-2-en-1-one (DPNP) containing donor-acceptor group has been synthesized and characterized on the basis of the spectral (IR, (1)HNMR & (13)C NMR) and X- ray crystallographic data. The effect of solvents on photophysical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment, fluorescence spectra, and fluorescence quantum yield of DPNP have been investigated comprehensively. Significant red shift was observed in the emission spectrum of DPNP compared to the absorption spectrum upon increasing the solvent polarity, indicating a higher dipole moment in the excited state than in the ground state. The difference between the excited and ground state dipole moments (Δμ) were obtained from Lippert-Mataga and Reichardts correlations by means of solvatochromic shift method. The effects of medium acidity on the electronic absorption and emission spectra of DPNP were studied. The interaction of DPNP with colloidal silver nanoparticles (AgNPs) was also studied in ethanol and ethylene glycol using steady state fluorescence quenching measurements. The fluorescence quenching data reveal that dynamic quenching and energy transfer play a major role in the fluorescence quenching of DPNP by Ag NPs.

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

PubMed Central

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

Analysis of Immune Complex Structure by Statistical Mechanics and Light Scattering Techniques.

NASA Astrophysics Data System (ADS)

Busch, Nathan Adams

1995-01-01

The size and structure of immune complexes determine their behavior in the immune system. The chemical physics of the complex formation is not well understood; this is due in part to inadequate characterization of the proteins involved, and in part by lack of sufficiently well developed theoretical techniques. Understanding the complex formation will permit rational design of strategies for inhibiting tissue deposition of the complexes. A statistical mechanical model of the proteins based upon the theory of associating fluids was developed. The multipole electrostatic potential for each protein used in this study was characterized for net protein charge, dipole moment magnitude, and dipole moment direction. The binding sites, between the model antigen and antibodies, were characterized for their net surface area, energy, and position relative to the dipole moment of the protein. The equilibrium binding graphs generated with the protein statistical mechanical model compares favorably with experimental data obtained from radioimmunoassay results. The isothermal compressibility predicted by the model agrees with results obtained from dynamic light scattering. The statistical mechanics model was used to investigate association between the model antigen and selected pairs of antibodies. It was found that, in accordance to expectations from thermodynamic arguments, the highest total binding energy yielded complex distributions which were skewed to higher complex size. From examination of the simulated formation of ring structures from linear chain complexes, and from the joint shape probability surfaces, it was found that ring configurations were formed by the "folding" of linear chains until the ends are within binding distance. By comparing the single antigen/two antibody system which differ only in their respective binding site locations, it was found that binding site location influences complex size and shape distributions only when ring formation occurs. The internal potential energy of a ring complex is considerably less than that of the non-associating system; therefore the ring complexes are quite stable and show no evidence of breaking, and collapsing into smaller complexes. The ring formation will occur only in systems where the total free energy of each complex may be minimized. Thus, ring formation will occur even though entropically unfavorable conformations result if the total free energy can be minimized by doing so.

Magnetic Protostars

NASA Astrophysics Data System (ADS)

Glagolevskij, Yu. V.

2015-09-01

A possible variant of the evolution of magnetic protostars "before the Hayashi phase" is discussed. Arguments are given in support of the following major properties of magnetic stars: (1) global magnetic dipole fields with predominant orientation of the magnetic lines of force in the plane of the equator of revolution; (2) slow rotation; (3) complex, two and three dipole structures of the magnetic field in a large part of the stars; (4) partition of stars into magnetic and normal in a proportion of 1:10 occurs during the period when the protostellar clouds undergo gravitational collapse "before the Hayashi phase."

Disequilibrium, complexity, the Schottky effect, and q-entropies, in paramagnetism

NASA Astrophysics Data System (ADS)

Pennini, F.; Plastino, A.

2017-12-01

We investigate connections between statistical quantifiers and paramagnetism. More concretely, we apply the notions of (i) disequilibrium and (ii) statistical complexity, to a paramagnetic system of non-coupled dipoles. Interesting insights are thereby obtained. In particular, we encounter a kind of criticality, not associated to the temperature but to the disequilibrium.

Iron-dextran complex: geometrical structure and magneto-optical features.

PubMed

Graczykowski, Bartłomiej; Dobek, Andrzej

2011-11-15

Molecular mass of the iron-dextran complex (M(w)=1133 kDa), diameter of its particles (∼8.3 nm) and the content of iron ions in the complex core (N(Fe)=6360) were determined by static light scattering, measurements of refractive index increment and the Cotton-Mouton effect in solution. The known number of iron ions permitted the calculation of the permanent magnetic dipole moment value to be μ(Fe)=3.17×10(-18) erg Oe(-1) and the determination of anisotropy of linear magneto-optical polarizabilities components as Δχ=9.2×10(-21) cm(3). Knowing both values and the value of the mean linear optical polarizability α=7.3×10(-20) cm(3), it was possible to show that the total measured CM effect was due to the reorientation of the permanent and the induced magnetic dipole moments of the complex. Analysis of the measured magneto-optical birefringence indicated very small optical anisotropy of linear optical polarizability components, κ(α), which suggested a homogeneous structure of particles of spherical symmetry. Copyright © 2011 Elsevier Inc. All rights reserved.

Deep Blue Phosphorescent Organic Light-Emitting Diodes with CIEy Value of 0.11 and External Quantum Efficiency up to 22.5.

PubMed

Li, Xiaoyue; Zhang, Juanye; Zhao, Zifeng; Wang, Liding; Yang, Hannan; Chang, Qiaowen; Jiang, Nan; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Lu, Zhenghong; Huang, Chunhui

2018-03-01

Organic light-emitting diodes (OLEDs) based on red and green phosphorescent iridium complexes are successfully commercialized in displays and solid-state lighting. However, blue ones still remain a challenge on account of their relatively dissatisfactory Commission International de L'Eclairage (CIE) coordinates and low efficiency. After analyzing the reported blue iridium complexes in the literature, a new deep-blue-emitting iridium complex with improved photoluminescence quantum yield is designed and synthesized. By rational screening host materials showing high triplet energy level in neat film as well as the OLED architecture to balance electron and hole recombination, highly efficient deep-blue-emission OLEDs with a CIE at (0.15, 0.11) and maximum external quantum efficiency (EQE) up to 22.5% are demonstrated. Based on the transition dipole moment vector measurement with a variable-angle spectroscopic ellipsometry method, the ultrahigh EQE is assigned to a preferred horizontal dipole orientation of the iridium complex in doped film, which is beneficial for light extraction from the OLEDs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Deflection and trapping of a counter-rotating vortex pair by a flat plate

NASA Astrophysics Data System (ADS)

Nitsche, Monika

2017-12-01

The interaction of a counter-rotating vortex pair (dipole) with a flat plate in its path is studied numerically. The vortices are initially separated by a distance D (dipole size) and placed far upstream of a plate of length L . The plate is centered on the dipole path and inclined relative to it at an incident angle βi. At first, the plate is held fixed in place. The vortices approach the plate, travel around it, and then leave as a dipole with unchanged velocity but generally a different travel direction, measured by a transmitted angle βt. For certain plate angles the transmitted angle is highly sensitive to changes in the incident angle. The sensitivity increases as the dipole size decreases relative to the plate length. In fact, for sufficiently small values of D /L , singularities appear: near critical values of βi, the dipole trajectory undergoes a topological discontinuity under changes of βi or D /L . The discontinuity is characterized by a jump in the winding number of one vortex around the plate, and in the time that the vortices take to leave the plate. The jumps occur repeatedly in a self-similar, fractal fashion, within a region near the critical values of βi, showing the existence of incident angles that trap the vortices, which never leave the plate. The number of these trapping regions increases as the parameter D /L decreases, and the dependence of the motion on βi becomes increasingly complex. The simulations thus show that even in this apparently simple scenario, the inviscid dynamics of a two-point-vortex system interacting with a stationary wall is surprisingly rich. The results are then applied to separate an incoming stream of dipoles by an oscillating plate.

Higher-order force moments of active particles

NASA Astrophysics Data System (ADS)

Nasouri, Babak; Elfring, Gwynn J.

2018-04-01

Active particles moving through fluids generate disturbance flows due to their activity. For simplicity, the induced flow field is often modeled by the leading terms in a far-field approximation of the Stokes equations, whose coefficients are the force, torque, and stresslet (zeroth- and first-order force moments) of the active particle. This level of approximation is quite useful, but may also fail to predict more complex behaviors that are observed experimentally. In this study, to provide a better approximation, we evaluate the contribution of the second-order force moments to the flow field and, by reciprocal theorem, present explicit formulas for the stresslet dipole, rotlet dipole, and potential dipole for an arbitrarily shaped active particle. As examples of this method, we derive modified Faxén laws for active spherical particles and resolve higher-order moments for active rod-like particles.

Strong Field Theories beyond Dipole Approximations in Nonrelativistic Regimes

NASA Astrophysics Data System (ADS)

He, Pei-Lun; Lao, Di; He, Feng

2017-04-01

The exact nondipole Volkov solutions to the Schrödinger equation and Pauli equation are found, based on which a strong field theory beyond the dipole approximation is built for describing the nondipole effects in nonrelativistic laser driven electron dynamics. This theory is applied to investigate momentum partition laws for multiphoton and tunneling ionization and explicitly shows that the complex interplay of a laser field and Coulomb action may reverse the expected photoelectron momentum along the laser propagation direction. The magnetic-spin coupling does not bring observable effects on the photoelectron momentum distribution and can be neglected. Compared to the strong field approximation within the dipole approximation, this theory works in a much wider range of laser parameters and lays a solid foundation for describing nonrelativistic electron dynamics in both short wavelength and midinfrared regimes where nondipole effects are unavoidable.

Structural properties of glucose-dimethylsulfoxide solutions probed by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Paolantoni, Marco; Gallina, Maria Elena; Sassi, Paola; Morresi, Assunta

2009-04-01

Raman spectroscopy was employed to achieve a molecular level description of solvation properties in glucose-dimethylsulfoxide (DMSO) solutions. The analysis of Raman spectra confirms the importance of the dipole-dipole interaction in determining structural properties of pure DMSO; the overall intermolecular structure is maintained in the whole 20-75 °C temperature range investigated. The blueshift of the CH stretching modes observed at higher temperatures points out that CH3⋯O contacts contribute to the cohesive energy of the DMSO liquid system. The addition of glucose perturbs the intermolecular ordering of DMSO owing to the formation of stable solute-solvent hydrogen bonds. The average number of OH⋯OS contacts (3.2±0.3) and their corresponding energy (˜20 kJ/mol) were estimated. Besides, the concentration dependence of the CH stretching bands and the behavior of the noncoincidence effect on the SO band, suggest that the dipole-dipole and CH3⋯O interactions among DMSO molecules are disfavored within the glucose solvation layer. These findings contribute to improve our understanding about the microscopic origin of solvent properties of DMSO toward more complex biomolecular systems.

Diffusion-mediated dephasing in the dipole field around a single spherical magnetic object.

PubMed

Buschle, Lukas R; Kurz, Felix T; Kampf, Thomas; Triphan, Simon M F; Schlemmer, Heinz-Peter; Ziener, Christian Herbert

2015-11-01

In this work, the time evolution of the free induction decay caused by the local dipole field of a spherical magnetic perturber is analyzed. The complicated treatment of the diffusion process is replaced by the strong-collision-approximation that allows a determination of the free induction decay in dependence of the underlying microscopic tissue parameters such as diffusion coefficient, sphere radius and susceptibility difference. The interplay between susceptibility- and diffusion-mediated effects yields several dephasing regimes of which, so far, only the classical regimes of motional narrowing and static dephasing for dominant and negligible diffusion, respectively, were extensively examined. Due to the asymmetric form of the dipole field for spherical objects, the free induction decay exhibits a complex component in contradiction to the cylindrical case, where the symmetric local dipole field only causes a purely real induction decay. Knowledge of the shape of the corresponding frequency distribution is necessary for the evaluation of more sophisticated pulse sequences and a detailed understanding of the off-resonance distribution allows improved quantification of transverse relaxation. Copyright © 2015 Elsevier Inc. All rights reserved.

Microwave measurements of proton tunneling and structural parameters for the propiolic acid-formic acid dimer.

PubMed

Daly, Adam M; Douglass, Kevin O; Sarkozy, Laszlo C; Neill, Justin L; Muckle, Matt T; Zaleski, Daniel P; Pate, Brooks H; Kukolich, Stephen G

2011-10-21

Microwave spectra of the propiolic acid-formic acid doubly hydrogen bonded complex were measured in the 1 GHz to 21 GHz range using four different Fourier transform spectrometers. Rotational spectra for seven isotopologues were obtained. For the parent isotopologue, a total of 138 a-dipole transitions and 28 b-dipole transitions were measured for which the a-dipole transitions exhibited splittings of a few MHz into pairs of lines and the b-type dipole transitions were split by ~580 MHz. The transitions assigned to this complex were fit to obtain rotational and distortion constants for both tunneling levels: A(0+) = 6005.289(8), B(0+) = 930.553(8), C(0+) = 803.9948(6) MHz, Δ(0+)(J) = 0.075(1), Δ(0+)(JK) = 0.71(1), and δ(0+)(j) = -0.010(1) kHz and A(0-) = 6005.275(8), B(0-) = 930.546(8), C(0-) = 803.9907(5) MHz, Δ(0-)(J) = 0.076(1), Δ(0-)(JK) = 0.70(2), and δ(0-)(j) = -0.008(1) kHz. Double resonance experiments were used on some transitions to verify assignments and to obtain splittings for cases when the b-dipole transitions were difficult to measure. The experimental difference in energy between the two tunneling states is 291.428(5) MHz for proton-proton exchange and 3.35(2) MHz for the deuterium-deuterium exchange. The vibration-rotation coupling constant between the two levels, F(ab), is 120.7(2) MHz for the proton-proton exchange. With one deuterium atom substituted in either of the hydrogen-bonding protons, the tunneling splittings were not observed for a-dipole transitions, supporting the assignment of the splitting to the concerted proton tunneling motion. The spectra were obtained using three Flygare-Balle type spectrometers and one chirped-pulse machine at the University of Virginia. Rotational constants and centrifugal distortion constants were obtained for HCOOH···HOOCCCH, H(13)COOH···HOOCCCH, HCOOD···HOOCCCH, HCOOH···DOOCCCH, HCOOD···DOOCCCH, DCOOH···HOOCCCH, and DCOOD···HOOCCCH. High-level ab initio calculations provided initial rotational constants for the complex, structural parameters, and some details of the proton tunneling potential energy surface. A least squares fit to the isotopic data reveals a planar structure that is slightly asymmetric in the OH distances. The formic OH···O propiolic hydrogen bond length is 1.8 Å and the propiolic OH···O formic hydrogen bond length is 1.6 Å, for the equilibrium configuration. The magnitude of the dipole moment was experimentally determined to be 1.95(3) × 10(-30) C m (0.584(8) D) for the 0(+) states and 1.92(5) × 10(-30) C m (0.576(14) D) for the 0(-) states. © 2011 American Institute of Physics

On the Stark effect in open shell complexes exhibiting partially quenched electronic angular momentum: Infrared laser Stark spectroscopy of OH–C 2H 2, OH–C 2H 4, and OH–H 2O

DOE PAGES

Moradi, Christopher P.; Douberly, Gary E.

2015-06-22

The Stark effect is considered for polyatomic open shell complexes that exhibit partially quenched electronic angular momentum. Matrix elements of the Stark Hamiltonian represented in a parity conserving Hund's case (a) basis are derived for the most general case, in which the permanent dipole moment has projections on all three inertial axes of the system. Transition intensities are derived, again for the most general case, in which the laser polarization has projections onto axes parallel and perpendicular to the Stark electric field, and the transition dipole moment vector is projected onto all three inertial axes in the molecular frame. Asmore » a result, simulations derived from this model are compared to experimental rovibrational Stark spectra of OH-C 2H 2, OH-C 2H 4, and OH-H 2O complexes formed in helium nanodroplets.« less

Huygens' optical vector wave field synthesis via in-plane electric dipole metasurface.

PubMed

Park, Hyeonsoo; Yun, Hansik; Choi, Chulsoo; Hong, Jongwoo; Kim, Hwi; Lee, Byoungho

2018-04-16

We investigate Huygens' optical vector wave field synthesis scheme for electric dipole metasurfaces with the capability of modulating in-plane polarization and complex amplitude and discuss the practical issues involved in realizing multi-modulation metasurfaces. The proposed Huygens' vector wave field synthesis scheme identifies the vector Airy disk as a synthetic unit element and creates a designed vector optical field by integrating polarization-controlled and complex-modulated Airy disks. The metasurface structure for the proposed vector field synthesis is analyzed in terms of the signal-to-noise ratio of the synthesized field distribution. The design of practical metasurface structures with true vector modulation capability is possible through the analysis of the light field modulation characteristics of various complex modulated geometric phase metasurfaces. It is shown that the regularization of meta-atoms is a key factor that needs to be considered in field synthesis, given that it is essential for a wide range of optical field synthetic applications, including holographic displays, microscopy, and optical lithography.

Magnetic localization and orientation of the capsule endoscope based on a random complex algorithm.

PubMed

He, Xiaoqi; Zheng, Zizhao; Hu, Chao

2015-01-01

The development of the capsule endoscope has made possible the examination of the whole gastrointestinal tract without much pain. However, there are still some important problems to be solved, among which, one important problem is the localization of the capsule. Currently, magnetic positioning technology is a suitable method for capsule localization, and this depends on a reliable system and algorithm. In this paper, based on the magnetic dipole model as well as magnetic sensor array, we propose nonlinear optimization algorithms using a random complex algorithm, applied to the optimization calculation for the nonlinear function of the dipole, to determine the three-dimensional position parameters and two-dimensional direction parameters. The stability and the antinoise ability of the algorithm is compared with the Levenberg-Marquart algorithm. The simulation and experiment results show that in terms of the error level of the initial guess of magnet location, the random complex algorithm is more accurate, more stable, and has a higher "denoise" capacity, with a larger range for initial guess values.

The Determination of Molecular Quantities from Measurements on Macroscopic Systems.V. Existence and Properties of 1:1 and 2:1-Electron-Donor-Acceptor Complexes of Hexamethylbenzene with Tetracyanoethylene

NASA Astrophysics Data System (ADS)

Liptay, Wolfgang; Rehm, Torsten; Wehning, Detlev; Schanne, Lothar; Baumann, Wolfram; Lang, Werner

1982-12-01

The formation of electron-donor-acceptor complexes of hexamethylbenzene (HMB) with tetracyanoethylene (TCNE) was investigated by measurements of the optical absorptions, the densities, the permittivities and the electro-optical absorptions of solutions in CCl4. The careful evaluation of data based on some previously reported models, has shown that the assumption of the formation of the 1: 1 and the 2 : 1 complex agrees with all experimental data, but that the assumption of the formation of only the 1: 1 complex is contradictory to experimental facts even if the activity effects on the equilibrium constant and of the solvent dependences of observed molar quantities are taken into account. The evaluation leads to the molar optical absorption coefficients and the molar volumes of both complexes and to their electric dipole moments in the electronic ground state and the considered excited state. According to these results the complexes are of the sandwich type HMB-TCNE and HMB-TCNE-HMB. In spite of the fact that the 2: 1 complex owns a center of symmetry, at least approximately, there is a rather large electric dipole moment in its excited state. Furthermore, values for the equilibrium constants and for the standard reaction enthalpies of both complex formation reactions are estimated from experimental data.

Zeroth order regular approximation approach to electric dipole moment interactions of the electron.

PubMed

Gaul, Konstantin; Berger, Robert

2017-07-07

A quasi-relativistic two-component approach for an efficient calculation of P,T-odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex generalized Hartree-Fock and a complex generalized Kohn-Sham scheme within the zeroth order regular approximation. In applications to select heavy-elemental polar diatomic molecular radicals, which are promising candidates for an eEDM experiment, the method is compared to relativistic four-component electron-correlation calculations and confirms values for the effective electric field acting on the unpaired electron for RaF, BaF, YbF, and HgF. The calculations show that purely relativistic effects, involving only the lower component of the Dirac bi-spinor, are well described by treating only the upper component explicitly.

Zeroth order regular approximation approach to electric dipole moment interactions of the electron

NASA Astrophysics Data System (ADS)

Gaul, Konstantin; Berger, Robert

2017-07-01

A quasi-relativistic two-component approach for an efficient calculation of P ,T -odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex generalized Hartree-Fock and a complex generalized Kohn-Sham scheme within the zeroth order regular approximation. In applications to select heavy-elemental polar diatomic molecular radicals, which are promising candidates for an eEDM experiment, the method is compared to relativistic four-component electron-correlation calculations and confirms values for the effective electric field acting on the unpaired electron for RaF, BaF, YbF, and HgF. The calculations show that purely relativistic effects, involving only the lower component of the Dirac bi-spinor, are well described by treating only the upper component explicitly.

On the solution of the complex eikonal equation in acoustic VTI media: A perturbation plus optimization scheme

NASA Astrophysics Data System (ADS)

Huang, Xingguo; Sun, Jianguo; Greenhalgh, Stewart

2018-04-01

We present methods for obtaining numerical and analytic solutions of the complex eikonal equation in inhomogeneous acoustic VTI media (transversely isotropic media with a vertical symmetry axis). The key and novel point of the method for obtaining numerical solutions is to transform the problem of solving the highly nonlinear acoustic VTI eikonal equation into one of solving the relatively simple eikonal equation for the background (isotropic) medium and a system of linear partial differential equations. Specifically, to obtain the real and imaginary parts of the complex traveltime in inhomogeneous acoustic VTI media, we generalize a perturbation theory, which was developed earlier for solving the conventional real eikonal equation in inhomogeneous anisotropic media, to the complex eikonal equation in such media. After the perturbation analysis, we obtain two types of equations. One is the complex eikonal equation for the background medium and the other is a system of linearized partial differential equations for the coefficients of the corresponding complex traveltime formulas. To solve the complex eikonal equation for the background medium, we employ an optimization scheme that we developed for solving the complex eikonal equation in isotropic media. Then, to solve the system of linearized partial differential equations for the coefficients of the complex traveltime formulas, we use the finite difference method based on the fast marching strategy. Furthermore, by applying the complex source point method and the paraxial approximation, we develop the analytic solutions of the complex eikonal equation in acoustic VTI media, both for the isotropic and elliptical anisotropic background medium. Our numerical results demonstrate the effectiveness of our derivations and illustrate the influence of the beam widths and the anisotropic parameters on the complex traveltimes.

Synthesis of amplitude-versus-offset variations in ground-penetrating radar data

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

Zeng, X.; McMechan, G.A.; Xu, T.

2000-02-01

To evaluate the importance of amplitude-versus-offset information in the interpretation of ground-penetrating radar (GPR) data, GPR reflections are synthesized as a function of antenna separation using a 2.5-D Finite-difference solution of Maxwell's equations. The conductivity, the complex dielectric permittivity,and the complex magnetic permeability are varied systematically in nine suites of horizontally layered models. The source used is a horizontal transverse-electric dipole situated at the air-earth interface. Cole-Cole relaxation mechanisms define the frequency dependence of the media. Reflection magnitudes and their variations with antenna separation differ substantially, depending on the contrast in electromagnetic properties that caused the reflection. The spectral charactermore » of the dielectric and magnetic relaxations produces only second-order variations in reflection coefficients compared with those associated with contrasts in permittivity, conductivity, and permeability, so they may not be separable even when they are detected. In typical earth materials, attenuation of propagating GPR waves is influenced most strongly by conductivity, followed by dielectric relaxation, followed by magnetic relaxation. A pervasive feature of the simulated responses is locally high amplitude associated with the critical incident angle at the air-earth interface in the antenna radiation pattern. Full wavefield simulations of two field data sets from a fluvial/eolian environment are able to reproduce the main amplitude behaviors observed in the data.« less

Summary of initial results from the GSFC fluxgate magnetometer on Pioneer 11

NASA Technical Reports Server (NTRS)

Acuna, M. H.; Ness, N. F.

1975-01-01

The main magnetic field of Jupiter was measured by the Fluxgate Magnetometer on Pioneer 11 and analysis reveals it to be relatively more complex than expected. In a centered spherical harmonic representation with a maximum order of n = 3 (designated GSFC model 04), the dipole term (with opposite polarity to the Earth's) has a moment of 4.28 Gauss x (Jupiter radius cubed), tilted by 9.6 deg towards a system 111 longitude of 232. The quadrupole and octupole moments are significant, 24% and 21% of the dipole moment respectively, and this leads to deviations of the planetary magnetic field from a simple offset tilted dipole for distances smaller than three Jupiter radii. The GSFC model shows a north polar field strength of 14 Gauss and a south polar field strength of 10.4 Gauss. Enhanced absorption effects in the radiation belts may be predicted as a result of field distortion.

Results from the GSFC fluxgate magnetometer on Pioneer 11

NASA Technical Reports Server (NTRS)

Acuna, M. H.; Ness, N. F.

1976-01-01

A high-field triaxial fluxgate magnetometer was mounted on Pioneer 11 to measure the main magnetic field of Jupiter. It is found that this planetary magnetic field is more complex than that indicated by the results of the Pioneer 10 vector helium magnetometer. At distances less than 3 Jupiter radii, the magnetic field is observed to increase more rapidly than an inverse-cubed distance law associated with any simple dipole model. Contributions from higher-order multipoles are significant, with the quadrupole and octupole being 24 and 21 percent of the dipole moment, respectively. Implications of the results for the study of trapped particles, planetary radio emission, and planetary interiors are discussed. Major conclusions are that the deviation of the main planetary magnetic field from a simple dipole leads to distortion of the L shells of the charged particles and to warping of the magnetic equator. Enhanced absorption effects associated with Amalthea and Io are predicted.

Flexoelectricity in Carbon Nanostructures: Nanotubes, Fullerenes, and Nanocones.

PubMed

Kvashnin, Alexander G; Sorokin, Pavel B; Yakobson, Boris I

2015-07-16

We report theoretical analysis of the electronic flexoelectric effect associated with nanostructures of sp(2) carbon (curved graphene). Through the density functional theory calculations, we establish the universality of the linear dependence of flexoelectric atomic dipole moments on local curvature in various carbon networks (carbon nanotubes, fullerenes with high and low symmetry, and nanocones). The usefulness of such dependence is in the possibility to extend the analysis of any carbon systems with local deformations with respect to their electronic properties. This result is exemplified by exploring of flexoelectric effect in carbon nanocones that display large dipole moment, cumulative over their surface yet surprisingly scaling exactly linearly with the length, and with sine-law dependence on the apex angle, dflex ~ L sin(α). Our study points out the opportunity of predicting the electric dipole moment distribution on complex graphene-based nanostructures based only on the local curvature information.

Equivalent radiation source of 3D package for electromagnetic characteristics analysis

NASA Astrophysics Data System (ADS)

Li, Jun; Wei, Xingchang; Shu, Yufei

2017-10-01

An equivalent radiation source method is proposed to characterize electromagnetic emission and interference of complex three dimensional integrated circuits (IC) in this paper. The method utilizes amplitude-only near-field scanning data to reconstruct an equivalent magnetic dipole array, and the differential evolution optimization algorithm is proposed to extract the locations, orientation and moments of those dipoles. By importing the equivalent dipoles model into a 3D full-wave simulator together with the victim circuit model, the electromagnetic interference issues in mixed RF/digital systems can be well predicted. A commercial IC is used to validate the accuracy and efficiency of this proposed method. The coupled power at the victim antenna port calculated by the equivalent radiation source is compared with the measured data. Good consistency is obtained which confirms the validity and efficiency of the method. Project supported by the National Nature Science Foundation of China (No. 61274110).

Microwave dielectric relaxation spectroscopy study of propylene glycol/ethanol binary mixtures: Temperature dependence

NASA Astrophysics Data System (ADS)

Vishwam, T.; Shihab, Suriya; Murthy, V. R. K.; Tiong, Ha Sie; Sreehari Sastry, S.

2017-05-01

Complex dielectric permittivity measurements of propylene glycol (PG) in ethanol at various mole fractions were measured by using open-ended coaxial probe technique at different temperatures in the frequency range 0.02 < ν/GHz < 20. The dipole moment (μ), excess dipole moment (Δμ),excess permittivity (εE), excess inverse relaxation time(1/τ)E, Bruggeman parameter (fB), excess Helmholtz energy (ΔFE) are determined using experimental data. From the minimum energy based geometry optimization, dipole moments of individual monomers of propylene glycol and ethanol and their binary system have been evaluated theoretically at gaseous state as well as alcoholic medium by using PCM and IEFPCM solvation models from the Hatree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-311G* and 6-311G** basis sets. The obtained results have been interpreted in terms of the short and long range ordering of the dipoles, Kirkwood correlation factor (geff), thermodynamic parameters, mean molecular polarizability (αM) and interaction in the mixture through hydrogen bonding. Dielectric relaxation study of propylene glycol in ethanol medium Determination of excess dielectric and thermodynamic parameters Comparison of experimental dipole moment with theoretical calculations Interpretation of the molecular interactions in the liquid through H-bonding Correlation between the evaluated dielectric parameters and theoretical results

Controllable Nanoparticle Assembly and Actuation with Modified Dipole Potentials in Simulation

NASA Astrophysics Data System (ADS)

Dempster, Joshua

Science at the nanoscale poses several recurring difficulties. How can we control the assembly of objects too small for direct manipulation to be practical? How can we extend that control to in vivo systems so we can make use of nanotechnology in medicine? And how can we recreate the extraordinary capacities of Nature: healing, replication, growth, adaptation, self-regulation? One of the most powerful tools for addressing these challenges is the simple, familiar dipole moment. Since their debut as fuel control devices at NASA in the early sixties, possible applications for dipole suspensions have grown to areas far beyond what their creators envisioned. A multitude of ambitious new medical and mechanical applications make use of dipolar colloids. Dipoles are attractive from a practical standpoint because one can use fields to control not just their orientation and location, but also their mutual interactions. From a physical standpoint, dipoles are compelling as an exceptionally simple form of symmetry-breaking that leads to a variety of complex phenomena. This thesis studies the assembly and control of spherical colloids with a dipolar interaction modified by additional conditions using simulations. Three cases are examined in detail. The first is the case of an electrical dipole moment created by regions of opposite charge density on the surface of a colloid. Here the dipole potential is modified by strong screening. Such a system is interesting as a model for certain proteins in a high-salt solution and suggests possible uses for inverse Janus colloids. The resulting phases have little resemblance to the usual dipole phases and can be controlled with small quantities of homogeneously charged particles. In the second case, superparamagnetic dipoles are linked into chains. Such chains have been realized in a wide variety of experimental schemes. A general theory is developed for the equilibrium shapes of the chains in a precessing field when their endpoints are fixed. This theory reveals that the chains are good candidates for contracting muscles in microscopic devices with a conveniently harmonic form for their potentials. Ensembles of free chains can be put to more elaborate uses. To illustrate, a regime is designed that spins the chains into a self-healing cross-linked gel. Finally, we will turn to self-replication. Decorating a permanent dipole with a single permanent binding site is enough to enable self-replication using dimers as the template. A periodic magnetic drive provides the energy to drive replication. Several theoretical principles regarding the statistics of linear self-replicators are deduced and used to optimize the dipole replicating system.

Local regulation of interchange turbulence in a dipole-confined plasma torus using current-collection feedback

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

Roberts, T. M., E-mail: tmr2122@columbia.edu; Mauel, M. E., E-mail: mauel@columbia.edu; Worstell, M. W.

2015-05-15

Turbulence in plasma confined by a magnetic dipole is dominated by interchange fluctuations with complex dynamics and short spatial coherence. We report the first use of local current-collection feedback to modify, amplify, and suppress these fluctuations. The spatial extent of turbulence regulation is limited to a correlation length near the collector. Changing the gain and phase of collection results in power either extracted from or injected into the turbulence. The measured plasma response shows some agreement with calculations of the linear response of global interchange-like MHD and entropy modes to current-collection feedback.

Magnetic field concentration assisted by epsilon-near-zero media

NASA Astrophysics Data System (ADS)

Liberal, Iñigo; Li, Yue; Engheta, Nader

2017-03-01

Strengthening the magnetic response of matter at optical frequencies is of fundamental interest, as it provides additional information in spectroscopy, as well as alternative mechanisms to manipulate light at the nanoscale. Here, we demonstrate theoretically that epsilon-near-zero (ENZ) media can enhance the magnetic field concentration capabilities of dielectric resonators. We demonstrate that the magnetic field enhancement factor is unbounded in theory, and it diverges as the size of the ENZ host increases. In practice, the maximal enhancement factor is limited by dissipation losses in the host, and it is found via numerical simulations that ENZ hosts with moderate losses can enhance the performance of a circular dielectric rod resonator by around one order of magnitude. The physical mechanism behind this process is the strongly inhomogeneous magnetic field distributions induced by ENZ media in neighbouring dielectrics. We show that this is an intrinsic property of ENZ media, and that the occurrence of resonant enhancement is independent of the shape of the host. These results might find applications in spectroscopy, in sensing, in light emission and, in general, in investigating light-matter interactions beyond electric dipole transitions. This article is part of the themed issue 'New horizons for nanophotonics'.

New Magnetic Field Model for Saturn From Cassini Radio and Magnetometers Observations: The Birotor Dipole

NASA Astrophysics Data System (ADS)

Galopeau, P. H. M.

2017-12-01

Since the insertion of Cassini in the Saturnian system in July 2004, the radio and plasma wave science (RPWS) experiment on board the spacecraft revealed the presence of two distinct and variable rotation periods in the Saturnian kilometric radiation (SKR) which were attributed to the northern and southern hemispheres respectively. The present study is based on the hypothesis that the periodic time modulations present in the SKR are mainly due to the rotation of Saturn's inner magnetic field. The existence of a double period implies that the inner field is not only limited to a simple rotation dipole but displays more complex structures having the same time periodicities than the radio emission. In order to build a model of this complex magnetic field, it is absolutely necessary to know the accurate phases of rotation linked with the two periods. The radio observations from the RPWS experiment allow a continuous and accurate follow-up of these rotation phases, since the SKR emission is permanently observable and produced very close to the planetary surface. A continuous wavelet transform analysis of the intensity of the SKR signal received at 290 kHz between July 2004 and June 2012 was performed in order to calculate in the same time the different periodicities and phases. The rotation phases associated to the main two periods allow us to define a North and South longitude system essential for such a study. In this context, a dipole model ("birotor dipole") was proposed for Saturn's inner magnetic field: this dipole presents the particularity to have North and South poles rotating around Saturn's axis at two different angular velocities; this dipole is tilted and not centered. 57 Cassini's revolutions, the periapsis of which is less than 5 Saturnian radii, have been selected for this study. For each of these chosen orbits, it is possible to fit with high precision the measurements of the MAG data experiment given by the magnetometers embarked on board Cassini. A nonrotating external magnetic field completes the model. This study suggests that Saturn's inner magnetic field is neither stationary nor fully axisymmetric. These results can be used as a boundary condition for modelling and constraining the planetary dynamo and they can be a starting point for the study of Saturn's inner structure and the comparison with the interior of Jupiter.

Defect Complex Effect in Nb Doped TiO2 Ceramics with Colossal Permittivity

NASA Astrophysics Data System (ADS)

Li, Fuchao; Shang, Baoqiang; Liang, Pengfei; Wei, Lingling; Yang, Zupei

2016-10-01

Donor-doped Nb x Ti1- x O2 ( x = 1%, 2%, 4%, 6%, and 8%) ceramics with giant permittivity (>104) and a very low dielectric loss (˜0.05) were sintered under flowing N2 at 1400°C for 10 h. By increasing Nb doping concentration, two different dielectric responses were evidenced in the frequency dependence of dielectric properties of Nb doped TiO2 ceramics, which corresponded to the space charge polarization and the electron-pinned defect-dipoles effect, respectively. Especially, combined with the x-ray photoelectron spectroscopy results, the electron-pinned defect-dipoles induced by the 2({Nb}^{5 + } )_{{Ti}}^{ bullet } to 4({Ti}^{3 + } )^'_{{Ti}} leftarrow {V}_{{o}}^{ bullet bullet } defect complex were further confirmed to give rise to both their high ɛr and low tan δ in the high frequency range for the Nb x Ti1- x O2 ceramics with x > 4%.

Intermolecular interactions and aggregation of fac-tris(2-phenylpyridinato-C2,N)iridium(III) in nonpolar solvents.

PubMed

Takayasu, Satoshi; Suzuki, Takayoshi; Shinozaki, Kazuteru

2013-08-15

The intermolecular interaction and aggregation of the neutral complex fac-tris(2-phenylpyridinato-C(2),N)iridium(III) (fac-Ir(ppy)3) in solution was investigated. Intermolecular interactions were found to effectively decrease the luminescence lifetime via self-quenching with increasing fac-Ir(ppy)3 concentrations. A Stern-Volmer plot for quenching in acetonitrile was linear, due to bimolecular self-quenching, but curved in toluene as the result of excimer formation. (1)H NMR spectra demonstrated a monomer-aggregate equilibrium which resulted in spectral shifts depending on solvent polarity. X-ray crystallography provided structural information concerning the aggregate, which is based on a tetramer consisting of two Δ-fac-Ir(ppy)3-Λ-fac-Ir(ppy)3 pairs. Offset π-π stacking of ppy ligands and electrostatic dipole-dipole interactions between complex molecules play an important role in the formation of these molecular pairs.

Electric and magnetic dipoles in the Lorentz and Einstein-Laub formulations of classical electrodynamics

NASA Astrophysics Data System (ADS)

Mansuripur, Masud

2015-01-01

The classical theory of electrodynamics cannot explain the existence and structure of electric and magnetic dipoles, yet it incorporates such dipoles into its fundamental equations, simply by postulating their existence and properties, just as it postulates the existence and properties of electric charges and currents. Maxwell's macroscopic equations are mathematically exact and self-consistent differential equations that relate the electromagnetic (EM) field to its sources, namely, electric charge-density 𝜌𝜌free, electric current-density 𝑱𝑱free, polarization 𝑷𝑷, and magnetization 𝑴𝑴. At the level of Maxwell's macroscopic equations, there is no need for models of electric and magnetic dipoles. For example, whether a magnetic dipole is an Amperian current-loop or a Gilbertian pair of north and south magnetic monopoles has no effect on the solution of Maxwell's equations. Electromagnetic fields carry energy as well as linear and angular momenta, which they can exchange with material media—the seat of the sources of the EM field—thereby exerting force and torque on these media. In the Lorentz formulation of classical electrodynamics, the electric and magnetic fields, 𝑬𝑬 and 𝑩𝑩, exert forces and torques on electric charge and current distributions. An electric dipole is then modeled as a pair of electric charges on a stick (or spring), and a magnetic dipole is modeled as an Amperian current loop, so that the Lorentz force law can be applied to the corresponding (bound) charges and (bound) currents of these dipoles. In contrast, the Einstein-Laub formulation circumvents the need for specific models of the dipoles by simply providing a recipe for calculating the force- and torque-densities exerted by the 𝑬𝑬 and 𝑯𝑯 fields on charge, current, polarization and magnetization. The two formulations, while similar in many respects, have significant differences. For example, in the Lorentz approach, the Poynting vector is 𝑺𝑺𝐿𝐿 = 𝜇𝜇0 -1𝑬𝑬 × 𝑩𝑩, and the linear and angular momentum densities of the EM field are 𝓹𝓹𝐿𝐿 = 𝜀𝜀0𝑬𝑬 × 𝑩𝑩 and 𝓛𝓛𝐿𝐿 = 𝒓𝒓 × 𝓹𝓹𝐿𝐿, whereas in the Einstein-Laub formulation the corresponding entities are 𝑺𝑺𝐸𝐸𝐸𝐸= 𝑬𝑬 × 𝑯𝑯, 𝓹𝓹𝐸𝐸𝐸𝐸= 𝑬𝑬 × 𝑯𝑯⁄𝑐𝑐2, and 𝓛𝓛𝐸𝐸𝐸𝐸= 𝒓𝒓 × 𝓹𝓹𝐸𝐸𝐸𝐸. (Here 𝜇𝜇0 and 𝜀𝜀0 are the permeability and permittivity of free space, 𝑐𝑐 is the speed of light in vacuum, 𝑩𝑩 = 𝜇𝜇0𝑯𝑯 + 𝑴𝑴, and 𝒓𝒓 is the position vector.) Such differences can be reconciled by recognizing the need for the so-called hidden energy and hidden momentum associated with Amperian current loops of the Lorentz formalism. (Hidden entities of the sort do not arise in the Einstein-Laub treatment of magnetic dipoles.) Other differences arise from over-simplistic assumptions concerning the equivalence between free charges and currents on the one hand, and their bound counterparts on the other. A more nuanced treatment of EM force and torque densities exerted on polarization and magnetization in the Lorentz approach would help bridge the gap that superficially separates the two formulations. Atoms and molecules may collide with each other and, in general, material constituents can exchange energy, momentum, and angular momentum via direct mechanical interactions. In the case of continuous media, elastic and hydrodynamic stresses, phenomenological forces such as those related to exchange coupling in ferromagnets, etc., subject small volumes of materials to external forces and torques. Such matter-matter interactions, although fundamentally EM in nature, are distinct from field-matter interactions in classical physics. Beyond the classical regime, however, the dichotomy that distinguishes the EM field from EM sources gets blurred. An electron's wavefunction may overlap that of an atomic nucleus, thereby initiating a contact interaction between the magnetic dipole moments of the two particles. Or a neutron passing through a ferromagnetic material may give rise to scattering events involving overlaps between the wave-functions of the neutron and magnetic electrons. Such matter-matter interactions exert equal and opposite forces and/or torques on the colliding particles, and their observable effects often shed light on the nature of the particles involved. It is through such observations that the Amperian model of a magnetic dipole has come to gain prominence over the Gilbertian model. In situations involving overlapping particle wave-functions, it is imperative to take account of the particle-particle interaction energy when computing the scattering amplitudes. As far as total force and total torque on a given volume of material are concerned, such particle-particle interactions do not affect the outcome of calculations, since the mutual actions of the two (overlapping) particles cancel each other out. Both Lorentz and Einstein-Laub formalisms thus yield the same total force and total torque on a given volume—provided that hidden entities are properly removed. The Lorentz formalism, with its roots in the Amperian current-loop model, correctly predicts the interaction energy between two overlapping magnetic dipoles 𝒎𝒎1 and 𝒎𝒎2 as being proportional to -𝒎𝒎1 • 𝒎𝒎2. In contrast, the Einstein-Laub formalism, which is ignorant of such particle-particle interactions, needs to account for them separately.

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

NASA Astrophysics Data System (ADS)

Finley, Adam J.; Matt, Sean P.

2018-02-01

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

Are Anion/π Interactions Actually a Case of Simple Charge–Dipole Interactions?†

PubMed Central

Wheeler, Steven E.; Houk, K. N.

2011-01-01

Substituent effects in Cl− ••• C6H6−nXn complexes, models for anion/π interactions, have been examined using density functional theory and robust ab initio methods paired with large basis sets. Predicted interaction energies for 83 model Cl− ••• C6H6−nXn complexes span almost 40 kcal mol−1 and show an excellent correlation (r = 0.99) with computed electrostatic potentials. In contrast to prevailing models of anion/π interactions, which rely on substituent-induced changes in the aryl π-system, it is shown that substituent effects in these systems are due mostly to direct interactions between the anion and the substituents. Specifically, interaction energies for Cl− ••• C6H6−nXn complexes are recovered using a model system in which the substituents are isolated from the aromatic ring and π-resonance effects are impossible. Additionally, accurate potential energy curves for Cl− interacting with prototypical anion-binding arenes can be qualitatively reproduced by adding a classical charge–dipole interaction to the Cl− ••• C6H6 interaction potential. In substituted benzenes, binding of anions arises primarily from interactions of the anion with the local dipoles induced by the substituents, not changes in the interaction with the aromatic ring itself. When designing anion-binding motifs, phenyl rings should be viewed as a scaffold upon which appropriate substituents can be placed, because there are no attractive interactions between anions and the aryl π-system of substituted benzenes. PMID:20433187

A quantum mechanical analysis of the light-harvesting complex 2 (LH2) from purple photosynthetic bacteria: insights into the electrostatic effects of transmembrane helices.

PubMed

Pichierri, Fabio

2011-02-01

We perform a quantum mechanical study of the peptides that are part of the LH2 complex from Rhodopseudomonas acidophila, a non-sulfur purple bacteria that has the ability of producing chemical energy from photosynthesis. The electronic structure calculations indicate that the transmembrane helices of these peptides are characterized by dipole moments with a magnitude of about 150D. When the full nonamer assembly made of 18 peptides is considered, then a macrodipole of magnitude 806D is built up from the vector sum of each monomer dipole. The macrodipole is oriented normal to the membrane plane and with the positive tip toward the cytoplasm thereby indicating that the electronic charge of the protein scaffold is polarized toward the periplasm. The results obtained here suggest that the asymmetric charge distribution of the protein scaffold contributes an anisotropic electrostatic environment which differentiates the absorption properties of the bacteriochlorophyll pigments, B800 and B850, embedded in the LH2 complex. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Nuclear magnetic relaxation by the dipolar EMOR mechanism: Three-spin systems

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

Chang, Zhiwei; Halle, Bertil, E-mail: bertil.halle@bpc.lu.se

2016-07-21

In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have developed a non-perturbative theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole couplings, and Larmor frequencies. Here, we implement the general dipolar EMOR theory for a macromolecule-bound three-spin system, where one, two, or all three spins exchange with the bulk solution phase. In contrast to the previously studied two-spin system with amore » single dipole coupling, there are now three dipole couplings, so relaxation is affected by distinct correlations as well as by self-correlations. Moreover, relaxation can now couple the magnetizations with three-spin modes and, in the presence of a static dipole coupling, with two-spin modes. As a result of this complexity, three secondary dispersion steps with different physical origins can appear in the longitudinal relaxation dispersion profile, in addition to the primary dispersion step at the Larmor frequency matching the exchange rate. Furthermore, and in contrast to the two-spin system, longitudinal relaxation can be significantly affected by chemical shifts and by the odd-valued (“imaginary”) part of the spectral density function. We anticipate that the detailed studies of two-spin and three-spin systems that have now been completed will provide the foundation for developing an approximate multi-spin dipolar EMOR theory sufficiently accurate and computationally efficient to allow quantitative molecular-level interpretation of frequency-dependent water-proton longitudinal relaxation data from biophysical model systems and soft biological tissue.« less

Studies into Equine Electrocardiography and Vectorcardiography

PubMed Central

Holmes, J. R.; Alps, B. J.

1967-01-01

Theoretical consideration has been given in two horses to the properties of the electric field created by the equine heart acting as a simple electric generator. The principles of the vectorial theory have been applied to test the validity of application of the dipole concept. The cardiac electric forces, althrough complex in the immediate region of the heart, appear at the body surface in a similar form to those arising from a relatively immobile, single equivalent dipole. The potential value of the technique of vectorcardiography in cardiological investigations is briefly discussed. ImagesFig. 1.Fig. 3.Fig. 5.Fig. 10.Fig. 12.Fig. 13. PMID:17649586

General magnetic transition dipole moments for electron paramagnetic resonance.

PubMed

Nehrkorn, Joscha; Schnegg, Alexander; Holldack, Karsten; Stoll, Stefan

2015-01-09

We present general expressions for the magnetic transition rates in electron paramagnetic resonance (EPR) experiments of anisotropic spin systems in the solid state. The expressions apply to general spin centers and arbitrary excitation geometry (Voigt, Faraday, and intermediate). They work for linear and circular polarized as well as unpolarized excitation, and for crystals and powders. The expressions are based on the concept of the (complex) magnetic transition dipole moment vector. Using the new theory, we determine the parities of ground and excited spin states of high-spin (S=5/2) Fe(III) in hemin from the polarization dependence of experimental EPR line intensities.

MP2, DFT-D, and PCM study of the HMB-TCNE complex: Thermodynamics, electric properties, and solvent effects

NASA Astrophysics Data System (ADS)

Kysel, Ondrej; Budzák, Scaronimon; Medveď, Miroslav; Mach, Pavel

Geometry, thermodynamic, and electric properties of the pi-EDA complex between hexamethylbenzene (HMB) and tetracyanoethylene (TCNE) are investigated at the MP2/6-31G* and, partly, DFT-D/6-31G* levels. Solvent effects on the properties are evaluated using the PCM model. Fully optimized HMB-TCNE geometry in gas phase is a stacking complex with an interplanar distance 2.87 × 10-10 m and the corresponding BSSE corrected interaction energy is -51.3 kJ mol-1. As expected, the interplanar distance is much shorter in comparison with HF and DFT results. However the crystal structures of both (HMB)2-TCNE and HMB-TCNE complexes have interplanar distances somewhat larger (3.18 and 3.28 × 10-10 m, respectively) than our MP2 gas phase value. Our estimate of the distance in CCl4 on the basis of PCM solvent effect study is also larger (3.06-3.16 × 10-10 m). The calculated enthalpy, entropy, Gibbs energy, and equilibrium constant of HMB-TCNE complex formation in gas phase are: DeltaH0 = -61.59 kJ mol-1, DeltaSc0 = -143 J mol-1 K-1, DeltaG0 = -18.97 kJ mol-1, and K = 2,100 dm3 mol-1. Experimental data, however, measured in CCl4 are significantly lower: DeltaH0 = -34 kJ mol-1, DeltaSc0 = -70.4 J mol-1 K-1, DeltaG0 = -13.01 kJ mol-1, and K = 190 dm3 mol-1. The differences are caused by solvation effects which stabilize more the isolated components than the complex. The total solvent destabilization of Gibbs energy of the complex relatively to that of components is equal to 5.9 kJ mol-1 which is very close to our PCM value 6.5 kJ mol-1. MP2/6-31G* dipole moment and polarizabilities are in reasonable agreement with experiment (3.56 D versus 2.8 D for dipole moment). The difference here is due to solvent effect which enlarges interplanar distance and thus decreases dipole moment value. The MP2/6-31G* study supplemented by DFT-D parameterization for enthalpy calculation, and by the PCM approach to include solvent effect seems to be proper tools to elucidate the properties of pi-EDA complexes.

Saturn's Magnetic Field Model: Birotor Dipole From Cassini RPWS and MAG Experiments

NASA Astrophysics Data System (ADS)

Galopeau, P. H. M.

2016-12-01

The radio and plasma wave science (RPWS) experiment on board the Cassini spacecraft, orbiting around Saturn since July 2004, revealed the presence of two distinct and variable rotation periods in the Saturnian kilometric radiation (SKR) which were attributed to the northern and southern hemispheres respectively. We believe that the periodic time modulations present in the SKR are mainly due to the rotation of Saturn's inner magnetic field. The existence of a double period implies that the inner field is not only limited to a simple rotation dipole but displays more complex structures having the same time periodicities than the radio emission. In order to build a model of this complex magnetic field, it is absolutely necessary to know the accurate phases of rotation linked with the two periods. The radio observations from the RPWS experiment allow a continuous and accurate follow-up of these rotation phases, since the SKR emission is permanently observable and produced very close to the planetary surface. A wavelet transform analysis of the intensity of the SKR signal received at 290 kHz between July 2004 and June 2012 was performed in order to calculate in the same time the different periodicities and phases. A dipole model was proposed for Saturn's inner magnetic field: this dipole presents the particularity to have North and South poles rotating around Saturn's axis at two different angular velocities; this dipole is tilted and not centered. 57 Cassini's revolutions, the periapsis of which is less than 5 Saturnian radii, have been selected for this study. For each of these chosen orbits, it is possible to fit with high precision the measurements of the MAG data experiment given by the magnetometers embarked on board Cassini. A nonrotating external magnetic field completes the model. This study suggests that Saturn's inner magnetic field is neither stationary nor fully axisymmetric. These results can be used as a boundary condition for modelling and constraining the planetary dynamo and they can be a starting point for the study of Saturn's inner structure and the comparison with the interior of Jupiter.

Brain electric correlates of strong belief in paranormal phenomena: intracerebral EEG source and regional Omega complexity analyses.

PubMed

Pizzagalli, D; Lehmann, D; Gianotti, L; Koenig, T; Tanaka, H; Wackermann, J; Brugger, P

2000-12-22

The neurocognitive processes underlying the formation and maintenance of paranormal beliefs are important for understanding schizotypal ideation. Behavioral studies indicated that both schizotypal and paranormal ideation are based on an overreliance on the right hemisphere, whose coarse rather than focussed semantic processing may favor the emergence of 'loose' and 'uncommon' associations. To elucidate the electrophysiological basis of these behavioral observations, 35-channel resting EEG was recorded in pre-screened female strong believers and disbelievers during resting baseline. EEG data were subjected to FFT-Dipole-Approximation analysis, a reference-free frequency-domain dipole source modeling, and Regional (hemispheric) Omega Complexity analysis, a linear approach estimating the complexity of the trajectories of momentary EEG map series in state space. Compared to disbelievers, believers showed: more right-located sources of the beta2 band (18.5-21 Hz, excitatory activity); reduced interhemispheric differences in Omega complexity values; higher scores on the Magical Ideation scale; more general negative affect; and more hypnagogic-like reveries after a 4-min eyes-closed resting period. Thus, subjects differing in their declared paranormal belief displayed different active, cerebral neural populations during resting, task-free conditions. As hypothesized, believers showed relatively higher right hemispheric activation and reduced hemispheric asymmetry of functional complexity. These markers may constitute the neurophysiological basis for paranormal and schizotypal ideation.

Ab initio study of weakly bound halogen complexes: RX⋯PH3.

PubMed

Georg, Herbert C; Fileti, Eudes E; Malaspina, Thaciana

2013-01-01

Ab initio calculations were employed to study the role of ipso carbon hybridization in halogenated compounds RX (R=methyl, phenyl, acetyl, H and X=F, Cl, Br and I) and its interaction with a phosphorus atom, as occurs in the halogen bonded complex type RX⋯PH3. The analysis was performed using ab initio MP2, MP4 and CCSD(T) methods. Systematic energy analysis found that the interaction energies are in the range -4.14 to -11.92 kJ mol(-1) (at MP2 level without ZPE correction). Effects of electronic correlation levels were evaluated at MP4 and CCSD(T) levels and a reduction of up to 27% in interaction energy obtained in MP2 was observed. Analysis of the electrostatic maps confirms that the PhCl⋯PH3 and all MeX⋯PH3 complexes are unstable. NBO analysis suggested that the charge transfer between the moieties is bigger when using iodine than bromine and chlorine. The electrical properties of these complexes (dipole and polarizability) were determined and the most important observed aspect was the systematic increase at the dipole polarizability, given by the interaction polarizability. This increase is in the range of 0.7-6.7 u.a. (about 3-7%).

Applications of nuclear magnetic resonance spectroscopy for the understanding of enantiomer separation mechanisms in capillary electrophoresis.

PubMed

Salgado, Antonio; Chankvetadze, Bezhan

2016-10-07

This review deals with the applications of nuclear magnetic resonance (NMR) spectroscopy to understand the mechanisms of chiral separation in capillary electrophoresis (CE). It is accepted that changes observed in the separation process, including the reversal of enantiomer migration order (EMO), can be caused by subtle modifications in the molecular recognition mechanisms between enantiomer and chiral selector. These modifications may imply minor structural differences in those selector-selectand complexes that arise from the above mentioned interactions. Therefore, it is mandatory to understand the fine intermolecular interactions between analytes and chiral selectors. In other words, it is necessary to know in detail the structures of the complexes formed by the enantiomer (selectand) and the selector. Any differences in the structures of these complexes arising from either enantiomer should be detected, so that enantiomeric bias in the separation process could be explained. As to the nature of these interactions, those have been extensively reviewed, and it is not intended to be discussed here. These interactions contemplate ionic, ion-dipole and dipole-dipole interactions, hydrogen bonding, van der Waals forces, π-π stacking, steric and hydrophobic interactions. The main subject of this review is to describe how NMR spectroscopy helps to gain insight into the non-covalent intermolecular interactions between selector and selectand that lead to enantiomer separation by CE. Examples in which diastereomeric species are created by covalent (irreversible) derivatization will not be considered here. This review is structured upon the different structural classes of chiral selectors employed in CE, in which NMR spectroscopy has made substantial contributions to rationalize the observed enantioseparations. Cases in which other techniques complement NMR spectroscopic data are also mentioned. Copyright © 2016 Elsevier B.V. All rights reserved.

Probing amplitude, phase, and polarization of microwave field distributions in real time

NASA Astrophysics Data System (ADS)

King, R. J.; Yen, Y. H.

1981-11-01

A coherent (homodyne) detection system is used to map field distributions in real time. A key feature is the use of an electrically modulated (10-kHz) dipole scatterer which is also mechanically spun (150 Hz) to create an amplitude- and phase-modulated backscattered field. The system is monostatic. The backscattered field is coherently detected by mixing with the CW reference. A phase-insensitive detector is used, comprised of two balanced mixers which are fed in quadrature phase by one of the RF inputs followed by a phase quadrature combiner. The resulting amplitude and phase of the 10-kHz output are proportional to the square of the RF field component along the instantaneous axis of the spinning dipole. Both are measured simultaneously and independently in real time. From these, the polarization properties can also be found, so the field is uniquely described. The system's application to scanning the E-field transmitted through lossy, nonhomogeneous and anisotropic media (e.g., wood) is demonstrated. Other applications besides nondestructive testing are microwave vector holography, near-field antenna measurements, and inverse scattering.

Analysis and synthesis of bianisotropic metasurfaces by using analytical approach based on equivalent parameters

NASA Astrophysics Data System (ADS)

Danaeifar, Mohammad; Granpayeh, Nosrat

2018-03-01

An analytical method is presented to analyze and synthesize bianisotropic metasurfaces. The equivalent parameters of metasurfaces in terms of meta-atom properties and other specifications of metasurfaces are derived. These parameters are related to electric, magnetic, and electromagnetic/magnetoelectric dipole moments of the bianisotropic media, and they can simplify the analysis of complicated and multilayer structures. A metasurface of split ring resonators is studied as an example demonstrating the proposed method. The optical properties of the meta-atom are explored, and the calculated polarizabilities are applied to find the reflection coefficient and the equivalent parameters of the metasurface. Finally, a structure consisting of two metasurfaces of the split ring resonators is provided, and the proposed analytical method is applied to derive the reflection coefficient. The validity of this analytical approach is verified by full-wave simulations which demonstrate good accuracy of the equivalent parameter method. This method can be used in the analysis and synthesis of bianisotropic metasurfaces with different materials and in different frequency ranges by considering electric, magnetic, and electromagnetic/magnetoelectric dipole moments.

Breaking news dissemination in the media via propagation behavior based on complex network theory

NASA Astrophysics Data System (ADS)

Liu, Nairong; An, Haizhong; Gao, Xiangyun; Li, Huajiao; Hao, Xiaoqing

2016-07-01

The diffusion of breaking news largely relies on propagation behaviors in the media. The tremendous and intricate propagation relationships in the media form a complex network. An improved understanding of breaking news diffusion characteristics can be obtained through the complex network research. Drawing on the news data of Bohai Gulf oil spill event from June 2011 to May 2014, we constructed a weighted and directed complex network in which media are set as nodes, the propagation relationships as edges and the propagation times as the weight of the edges. The primary results show (1) the propagation network presents small world feature, which means relations among media are close and breaking news originating from any node can spread rapidly; (2) traditional media and official websites are the typical sources for news propagation, while business portals are news collectors and spreaders; (3) the propagation network is assortative and the group of core media facilities the spread of breaking news faster; (4) for online media, news originality factor become less important to propagation behaviors. This study offers a new insight to explore information dissemination from the perspective of statistical physics and is beneficial for utilizing the public opinion in a positive way.

The assessment of pi-pi selective stationary phases for two-dimensional HPLC analysis of foods: application to the analysis of coffee.

PubMed

Mnatsakanyan, Mariam; Stevenson, Paul G; Shock, David; Conlan, Xavier A; Goodie, Tiffany A; Spencer, Kylie N; Barnett, Neil W; Francis, Paul S; Shalliker, R Andrew

2010-09-15

Differences between alkyl, dipole-dipole, hydrogen bonding, and pi-pi selective surfaces represented by non-resonance and resonance pi-stationary phases have been assessed for the separation of 'Ristretto' café espresso by employing 2DHPLC techniques with C18 phase selectivity detection. Geometric approach to factor analysis (GAFA) was used to measure the detected peaks (N), spreading angle (beta), correlation, practical peak capacity (n(p)) and percentage usage of the separations space, as an assessment of selectivity differences between regional quadrants of the two-dimensional separation plane. Although all tested systems were correlated to some degree to the C18 dimension, regional measurement of separation divergence revealed that performance of specific systems was better for certain sample components. The results illustrate that because of the complexity of the 'real' sample obtaining a truly orthogonal two-dimensional system for complex samples of natural origin may be practically impossible. Copyright (c) 2010 Elsevier B.V. All rights reserved.

Stable dipole solitons and soliton complexes in the nonlinear Schrödinger equation with periodically modulated nonlinearity

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

Lebedev, M. E., E-mail: gloriouslair@gmail.com, E-mail: galfimov@yahoo.com; Alfimov, G. L., E-mail: gloriouslair@gmail.com, E-mail: galfimov@yahoo.com; Malomed, Boris A., E-mail: malomed@post.tau.ac.il

We develop a general classification of the infinite number of families of solitons and soliton complexes in the one-dimensional Gross-Pitaevskii/nonlinear Schrödinger equation with a nonlinear lattice pseudopotential, i.e., periodically modulated coefficient in front of the cubic term, which takes both positive and negative local values. This model finds direct implementations in atomic Bose-Einstein condensates and nonlinear optics. The most essential finding is the existence of two branches of dipole solitons (DSs), which feature an antisymmetric shape, being essentially squeezed into a single cell of the nonlinear lattice. This soliton species was not previously considered in nonlinear lattices. We demonstrate thatmore » one branch of the DS family (namely, which obeys the Vakhitov-Kolokolov criterion) is stable, while unstable DSs spontaneously transform into stable fundamental solitons (FSs). The results are obtained in numerical and approximate analytical forms, the latter based on the variational approximation. Some stable bound states of FSs are found too.« less

Enhancement of polar phase and conductivity relaxation in PIL-modified GO/PVDF composites

NASA Astrophysics Data System (ADS)

Xu, Pei; Fu, Weijia; Cui, Zhaopei; Ding, Yunsheng

2018-02-01

To investigate the effect of graphene oxide (GO) modified by polymerized ionic liquid (PIL) on the crystallization and dielectric relaxation of poly(vinylidene fluoride) (PVDF), a series of PVDF composites have been prepared using the solution casting method. The ion-dipole interaction between PIL and >CF2 and the π-dipole interaction between GO and >CF2 can induce synergistically the polar phase, and the π-ion interaction between GO and PIL can strengthen the induction effect of the polar phase and decrease the degree of crystallization of PVDF. The electric modulus and conductivity relaxation are employed to analyze the experimental complex dielectric permittivity. In the frequency spectra of complex permittivity of PVDF composites, space charge polarization and conductivity lead to a large value of dielectric permittivity. The temperature dependence of relaxation time of conductivity relaxation accords with the Arrhenius equation. A low degree of crystallization, more ion concentration, and polar phase in PVDF/PIL/GO enhance the movement of the polymer chain segment and charge carriers.

Energy transfer dynamics in Light-Harvesting Dendrimers

NASA Astrophysics Data System (ADS)

Melinger, Joseph S.; McMorrow, Dale; Kleiman, Valeria D.

2002-03-01

We explore energy transfer dynamics in light-harvesting phenylacetylene symmetric and asymmetric dendrimers. Femtosecond pump-probe spectroscopy is used to probe the ultrafast dynamics of electronic excitations in these dendrimers. The backbone of the macromolecule consists of branches of increasing conjugation length, creating an energy gradient, which funnels energy to an accepting perylene trap. In the case of the symmetric dendrimer (nanostar), the energy transfer efficiency is known to approach nearly unity, although the nature and timescale of the energy transfer process is still unknown. For the asymmetric dendrimers, energy transfer efficiencies are very high, with the possibility of more complex transfer processes. We experimentally monitor the transport of excitons through the light-harvesting dendrimer. The transients show a number of components, with timescales ranging from <300fs to several tens of picoseconds, revealing the complex photophysics taking place in these macromolecules. We interpret our results in terms of the Förster mechanism in which energy transfer occurs through dipole-dipole interactions.

Self-replication with magnetic dipolar colloids

NASA Astrophysics Data System (ADS)

Dempster, Joshua M.; Zhang, Rui; Olvera de la Cruz, Monica

2015-10-01

Colloidal self-replication represents an exciting research frontier in soft matter physics. Currently, all reported self-replication schemes involve coating colloidal particles with stimuli-responsive molecules to allow switchable interactions. In this paper, we introduce a scheme using ferromagnetic dipolar colloids and preprogrammed external magnetic fields to create an autonomous self-replication system. Interparticle dipole-dipole forces and periodically varying weak-strong magnetic fields cooperate to drive colloid monomers from the solute onto templates, bind them into replicas, and dissolve template complexes. We present three general design principles for autonomous linear replicators, derived from a focused study of a minimalist sphere-dimer magnetic system in which single binding sites allow formation of dimeric templates. We show via statistical models and computer simulations that our system exhibits nonlinear growth of templates and produces nearly exponential growth (low error rate) upon adding an optimized competing electrostatic potential. We devise experimental strategies for constructing the required magnetic colloids based on documented laboratory techniques. We also present qualitative ideas about building more complex self-replicating structures utilizing magnetic colloids.

Active flutter suppression using dipole filters

NASA Technical Reports Server (NTRS)

Srinathkumar, S.; Waszak, Martin R.

1992-01-01

By using traditional control concepts of gain root locus, the active suppression of a flutter mode of a flexible wing is examined. It is shown that the attraction of the unstable mode towards a critical system zero determines the degree to which the flutter mode can be stabilized. For control situations where the critical zero is adversely placed in the complex plane, a novel compensation scheme called a 'Dipole' filter is proposed. This filter ensures that the flutter mode is stabilized with acceptable control energy. The control strategy is illustrated by designing flutter suppression laws for an active flexible wing (AFW) wind-tunnel model, where minimal control effort solutions are mandated by control rate saturation problems caused by wind-tunnel turbulence.

The fast multipole method and point dipole moment polarizable force fields.

PubMed

Coles, Jonathan P; Masella, Michel

2015-01-14

We present an implementation of the fast multipole method for computing Coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected O(N) scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation in molecular dynamics at the nanosecond scale by performing simulations of a protein complex embedded in a coarse-grained solvent using a standard integrator and a multiple time step integrator. Our tests show the applicability of fast multipole method combined with state-of-the-art chemical models in molecular dynamical systems.

a Chiral Tag Study of the Absolute Configuration of Camphor

NASA Astrophysics Data System (ADS)

Pratt, David; Evangelisti, Luca; Smart, Taylor; Holdren, Martin S.; Mayer, Kevin J.; West, Channing; Pate, Brooks

2017-06-01

The chiral tagging method for rotational spectroscopy uses an established approach in chiral analysis of creating a complex with an enantiopure tag so that enantiomers of the molecule of interest are converted to diastereomer complexes. Since the diastereomers have distinct structure, they give distinguishable rotational spectra. Camphor was chosen as an example for the chiral tag method because it has spectral properties that could pose challenges to the use of three wave mixing rotational spectroscopy to establish absolute configuration. Specifically, one of the dipole moment components of camphor is small making three wave mixing measurements challenging and placing high accuracy requirements on computational chemistry for calculating the dipole moment direction in the principal axis system. The chiral tag measurements of camphor used the hydrogen bond donor 3-butyn-2-ol. Quantum chemistry calculations using the B3LYP-D3BJ method and the def2TZVP basis set identified 7 low energy isomers of the chiral complex. The two lowest energy complexes of the homochiral and heterochiral complexes are observed in a measurement using racemic tag. Absolute configuration is confirmed by the use of an enantiopure tag sample. Spectra with ^{13}C-sensitivity were acquired so that the carbon substitution structure of the complex could be obtained to provide a structure of camphor with correct stereochemistry. The chiral tag complex spectra can also be used to estimate the enantiomeric excess of the sample and analysis of the broadband spectrum indicates that the sample enantiopurity is higher than 99.5%. The structure of the complex is analyzed to determine the extent of geometry modification that occurs upon formation of the complex. These results show that initial isomer searches with fixed geometries will be accurate. The reduction in computation time from fixed geometry assumptions will be discussed.

Interaction between like-charged polyelectrolyte-colloid complexes in electrolyte solutions: a Monte Carlo simulation study in the Debye-Hückel approximation.

PubMed

Truzzolillo, D; Bordi, F; Sciortino, F; Sennato, S

2010-07-14

We study the effective interaction between differently charged polyelectrolyte-colloid complexes in electrolyte solutions via Monte Carlo simulations. These complexes are formed when short and flexible polyelectrolyte chains adsorb onto oppositely charged colloidal spheres, dispersed in an electrolyte solution. In our simulations the bending energy between adjacent monomers is small compared to the electrostatic energy, and the chains, once adsorbed, do not exchange with the solution, although they rearrange on the particles surface to accommodate further adsorbing chains or due to the electrostatic interaction with neighbor complexes. Rather unexpectedly, when two interacting particles approach each other, the rearrangement of the surface charge distribution invariably produces antiparallel dipolar doublets that invert their orientation at the isoelectric point. These findings clearly rule out a contribution of dipole-dipole interactions to the observed attractive interaction between the complexes, pointing out that such suspensions cannot be considered dipolar fluids. On varying the ionic strength of the electrolyte, we find that a screening length kappa(-1), short compared with the size of the colloidal particles, is required in order to observe the attraction between like-charged complexes due to the nonuniform distribution of the electric charge on their surface ("patch attraction"). On the other hand, by changing the polyelectrolyte/particle charge ratio xi(s), the interaction between like-charged polyelectrolyte-decorated particles, at short separations, evolves from purely repulsive to strongly attractive. Hence, the effective interaction between the complexes is characterized by a potential barrier, whose height depends on the net charge and on the nonuniformity of their surface charge distribution.

Interference patterns of a horizontal electric dipole over layered dielectric media.

NASA Technical Reports Server (NTRS)

Tsang, L.; Kong, J. A.; Simmons, G.

1973-01-01

Interference patterns for electromagnetic fields due to a subsurface reflector below a layered lossy dielectric are calculated with the geometrical optics approximation for use in interpreting data to be collected on the moon by Apollo 17 as well as data currently being obtained on terrestrial glaciers. The radiating antenna lies on the surface. All six field components are calculated and studied. For the endfire solutions, the peak of the first reflected wave is found to be different from that of the broadside ones. To facilitate a physical discussion, we plotted the radiation patterns due to the antenna on the surface.

Critical Literacy and the Ethical Responsibilities of Student Media Production

ERIC Educational Resources Information Center

Parker, Jessica K.

2013-01-01

Today's complex literate environments require contemporary authors to focus on the ethical responsibilities of media creation. This study highlights 12th graders in California who produced a documentary on Latino immigration and chronicles the complex interactions between student-generated media, critical literacy, and ethics. Findings highlight…

Static weak dipole moments of the τ lepton via renormalizable scalar leptoquark interactions

NASA Astrophysics Data System (ADS)

Bolaños, A.; Moyotl, A.; Tavares-Velasco, G.

2014-03-01

The weak dipole moments of elementary fermions are calculated at the one-loop level in the framework of a renormalizable scalar leptoquark model that forbids baryon number violating processes and so is free from the strong constraints arising from experimental data. In this model there are two scalar leptoquarks accommodated in a SUL(2)×UY(1) doublet: One of these leptoquarks is nonchiral and has electric charge of 5/3e, whereas the other one is chiral and has electric charge 2/3e. In particular, a nonchiral leptoquark contributes to the weak properties of an up fermion via a chirality-flipping term proportional to the mass of the virtual fermion, and can also induce a nonzero weak electric dipole moment provided that the leptoquark couplings are complex. The numerical analysis is focused on the weak properties of the τ lepton since they offer good prospects for experimental study. The constraints on leptoquark couplings are briefly discussed for a nonchiral leptoquark with nondiagonal couplings to the second and third fermion generations, a third-generation nonchiral leptoquark, and a third-generation chiral leptoquark. It is found that although the chirality-flipping term can enhance the weak properties of the τ lepton via the top quark contribution, such an enhancement would be offset by the strong constraints on the leptoquark couplings. So, the contribution of scalar leptoquarks to the weak magnetic dipole moment of the τ lepton are smaller than the standard model (SM) contributions but can be of similar size to those arising in some SM extensions. A nonchiral leptoquark can also give contributions to the weak electric dipole moment larger than the SM one but well below the experimental limit. We also discuss the case of the off-shell weak dipole moments and, for completeness, analyze the behavior of the τ electromagnetic properties.

Electron-pinned defect-dipoles for high-performance colossal permittivity materials

NASA Astrophysics Data System (ADS)

Hu, Wanbiao; Liu, Yun; Withers, Ray L.; Frankcombe, Terry J.; Norén, Lasse; Snashall, Amanda; Kitchin, Melanie; Smith, Paul; Gong, Bill; Chen, Hua; Schiemer, Jason; Brink, Frank; Wong-Leung, Jennifer

2013-09-01

The immense potential of colossal permittivity (CP) materials for use in modern microelectronics as well as for high-energy-density storage applications has propelled much recent research and development. Despite the discovery of several new classes of CP materials, the development of such materials with the required high performance is still a highly challenging task. Here, we propose a new electron-pinned, defect-dipole route to ideal CP behaviour, where hopping electrons are localized by designated lattice defect states to generate giant defect-dipoles and result in high-performance CP materials. We present a concrete example, (Nb+In) co-doped TiO2 rutile, that exhibits a largely temperature- and frequency-independent colossal permittivity (> 104) as well as a low dielectric loss (mostly < 0.05) over a very broad temperature range from 80 to 450 K. A systematic defect analysis coupled with density functional theory modelling suggests that ‘triangular’ In23+VO••Ti3+ and ‘diamond’ shaped Nb25+Ti3+ATi (A  =  Ti3+/In3+/Ti4+) defect complexes are strongly correlated, giving rise to large defect-dipole clusters containing highly localized electrons that are together responsible for the excellent CP properties observed in co-doped TiO2. This combined experimental and theoretical work opens up a promising feasible route to the systematic development of new high-performance CP materials via defect engineering.

Electron-pinned defect-dipoles for high-performance colossal permittivity materials.

PubMed

Hu, Wanbiao; Liu, Yun; Withers, Ray L; Frankcombe, Terry J; Norén, Lasse; Snashall, Amanda; Kitchin, Melanie; Smith, Paul; Gong, Bill; Chen, Hua; Schiemer, Jason; Brink, Frank; Wong-Leung, Jennifer

2013-09-01

The immense potential of colossal permittivity (CP) materials for use in modern microelectronics as well as for high-energy-density storage applications has propelled much recent research and development. Despite the discovery of several new classes of CP materials, the development of such materials with the required high performance is still a highly challenging task. Here, we propose a new electron-pinned, defect-dipole route to ideal CP behaviour, where hopping electrons are localized by designated lattice defect states to generate giant defect-dipoles and result in high-performance CP materials. We present a concrete example, (Nb+In) co-doped TiO₂ rutile, that exhibits a largely temperature- and frequency-independent colossal permittivity (> 10(4)) as well as a low dielectric loss (mostly < 0.05) over a very broad temperature range from 80 to 450 K. A systematic defect analysis coupled with density functional theory modelling suggests that 'triangular' In₂(3+)Vo(••)Ti(3+) and 'diamond' shaped Nb₂(5+)Ti(3+)A(Ti) (A = Ti(3+)/In(3+)/Ti(4+)) defect complexes are strongly correlated, giving rise to large defect-dipole clusters containing highly localized electrons that are together responsible for the excellent CP properties observed in co-doped TiO₂. This combined experimental and theoretical work opens up a promising feasible route to the systematic development of new high-performance CP materials via defect engineering.

Magnetic field effects on electron transfer reactions involving sextet-spin ( S = 5/2) intermediates generated on photoexcitation of a Cr(III)-porphyrin complex

NASA Astrophysics Data System (ADS)

Mori, Yukie; Hoshino, Mikio; Hayashi, Hisaharu

The excited trip-sextet ( 6 T 1 ) state of chloro-(3-methylimidazol)-( meso -tetraphenylporphyrinato) chromium(III) (Cr III P) is quenched by 1,1 '-dibenzyl-4,4 '-bipyridinium (BV 2+ ) in acetonitrile through electron transfer to give 5 (Cr III P .+ ) and 2 BV .+ . The intermediate is a geminate ion pair in the sextet (Sx) state 6 [ 5 (Cr III P .+ ) 2 BV .+ ], which decays through either the escape from a solvent cage to give the free ions or the spin conversion to the quartet (Qa) state followed by back electron transfer. The free ion yield ( ΦFI ) increased with increasing magnetic field from 0 to 4 T and then slightly decreased from 4 T to 10 T. These magnetic field effects are explained as follows. Under low fields where the Zeeman splitting of the spin sublevels is lower than or comparable with the electron spin dipole-dipole interaction within 5 (Cr III P .+ ), this interaction effectively induces the Sx ⇔Qa conversion of [ 5 (Cr III P .+ ) 2 BV + ] to result in low ΦFI values. Under high fields where the Zeeman splitting is larger than the dipole-dipole interaction, the Sx Qa conversion is decreased with increasing field to cause higher ΦFI values. The slight decrease in ΦFI above 4 T may be due to the Δg mechanism.

[Social-professional status, identity, social participation and media utilization. Analysis of a complex dynamics].

PubMed

Laflamme, Simon; Roggero, Pascal; Southcott, Chris

2010-08-01

This article examines the link between the domain and level of occupation, on the one hand, and use of media, including internet, on the other. It adds to this investigation an analysis of identity in its relation to media use and accessibility. It challenges the hypothesis of a strong correlation between level of occupation and use and accessibility to media. It reveals complex phenomena of social homogenization and differentiation. Data is extracted from a sample of workers who completed a questionnaire which focused on use of media.

Trap formation and energy transfer in pheophorbide a-DAB-dendrimers and pyropheophorbide a-fullerene C 60 hexaadduct molecular systems

NASA Astrophysics Data System (ADS)

Röder, Beate; Ermilov, Eugeny A.; Hackbarth, Steffen; Helmreich, Matthias; Jux, Norbert

2006-04-01

The photophysical properties of DAB-dendrimers from 1 st to 4 th generation as well as Diaminohexane - all substituted with the in maximum achievable quantity of pheophorbide a (Pheo) molecules were studied in comparison with a novel hexapyropheophorbide a - fullerene hexaadduct (FHP6) and a fullerene [6:0]-hexaadduct which carries twelve pyropheophorbide a units (FHP12) using both steady-state and time-resolved spectroscopic methods. It was found that neighboring dye molecules covalently linked to one DAB- or fullerene moiety due to the length and high flexibility of carbon chains could stack with each other. This structural property is the reason for the possibility of formation different types of energy traps, which were resolved experimentally. The dipole-dipole resonance Förster energy transfer between the dye molecules coupled to one complex caused a very fast and efficient delivery of the excitation to a trap. As result the fluorescence as well as the singlet oxygen quantum yields of the different complexes were reduced with increasing number of dye molecules per complex. Nevertheless in every case the singlet oxygen generation was less influenced then the fluorescence quantum yield, exposing the complex to a non-negligible amount of excited oxygen in the singlet state. While the fullerene complexes turned out to be stable under these conditions, the DAB-dendrimer-backbones were completely fragmented to small rudiments carrying just one or a small number of dye molecules.

Contractile and chiral activities codetermine the helicity of swimming droplet trajectories

NASA Astrophysics Data System (ADS)

Tjhung, Elsen; Cates, Michael E.; Marenduzzo, Davide

2017-05-01

Active fluids are a class of nonequilibrium systems where energy is injected into the system continuously by the constituent particles themselves. Many examples, such as bacterial suspensions and actomyosin networks, are intrinsically chiral at a local scale, so that their activity involves torque dipoles alongside the force dipoles usually considered. Although many aspects of active fluids have been studied, the effects of chirality on them are much less known. Here, we study by computer simulation the dynamics of an unstructured droplet of chiral active fluid in three dimensions. Our model considers only the simplest possible combination of chiral and achiral active stresses, yet this leads to an unprecedented range of complex motilities, including oscillatory swimming, helical swimming, and run-and-tumble motion. Strikingly, whereas the chirality of helical swimming is the same as the microscopic chirality of torque dipoles in one regime, the two are opposite in another. Some of the features of these motility modes resemble those of some single-celled protozoa, suggesting that underlying mechanisms may be shared by some biological systems and synthetic active droplets.

Method and apparatus for ion mobility spectrometry with alignment of dipole direction (IMS-ADD)

DOEpatents

Shvartsburg, Alexandre A [Richland, WA; Tang, Keqi [Richland, WA; Smith, Richard D [Richland, WA

2007-01-30

Techniques and instrumentation are described for analyses of substances, including complex samples/mixtures that require separation prior to characterization of individual components. A method is disclosed for separation of ion mixtures and identification of ions, including protein and other macromolecular ions and their different structural isomers. Analyte ions are not free to rotate during the separation, but are substantially oriented with respect to the drift direction. Alignment is achieved by applying, at a particular angle to the drift field, a much stronger alternating electric field that "locks" the ion dipoles with moments exceeding a certain value. That value depends on the buffer gas composition, pressure, and temperature, but may be as low as .about.3 Debye under certain conditions. The presently disclosed method measures the direction-specific cross-sections that provide the structural information complementing that obtained from known methods, and, when coupled to those methods, increases the total peak capacity and specificity of gas-phase separations. Simultaneous 2-D separations by direction-specific cross sections along and orthogonally to the ion dipole direction are also possible.

Impact of anisotropy on the structure and dynamics of ionic liquids: A computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate

NASA Astrophysics Data System (ADS)

Schröder, C.; Rudas, T.; Neumayr, G.; Gansterer, W.; Steinhauser, O.

2007-07-01

The complex ionic network of 1-butyl-3-methyl-imidazolium trifluoroacetate was simulated by means of the molecular dynamics methods over a time period of 100ns. The influence of the anisotropy of the shape and charge distribution of both the cations and the anions on the local (molecular) and global (collective) structure and dynamics is analyzed. The distance-dependent g coefficients of the orientational probability function g(r,Ω) were found to be an excellent way to interpret local structure. Thereby, the combination and interrelation of individual g coefficients elucidate the mutual orientation. Dynamics at the molecular level is characterized by the time correlation function of the center-of-mass corrected molecular dipole moment μcm. Upon uniting the set of molecular dipoles to a single collective rotational dipole moment, MD, dynamics on a global level is studied. Decomposing into subsets of cations and anions respective self terms as well as the prominent cross term can be extracted. This decomposition also enables a detailed peak assignment in dielectric spectra.

Impact of anisotropy on the structure and dynamics of ionic liquids: a computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate.

PubMed

Schröder, C; Rudas, T; Neumayr, G; Gansterer, W; Steinhauser, O

2007-07-28

The complex ionic network of 1-butyl-3-methyl-imidazolium trifluoroacetate was simulated by means of the molecular dynamics methods over a time period of 100 ns. The influence of the anisotropy of the shape and charge distribution of both the cations and the anions on the local (molecular) and global (collective) structure and dynamics is analyzed. The distance-dependent g coefficients of the orientational probability function g(r,Omega) were found to be an excellent way to interpret local structure. Thereby, the combination and interrelation of individual g coefficients elucidate the mutual orientation. Dynamics at the molecular level is characterized by the time correlation function of the center-of-mass corrected molecular dipole moment mucm. Upon uniting the set of molecular dipoles to a single collective rotational dipole moment, MD, dynamics on a global level is studied. Decomposing into subsets of cations and anions respective self terms as well as the prominent cross term can be extracted. This decomposition also enables a detailed peak assignment in dielectric spectra.

100J-level nanosecond pulsed Yb:YAG cryo-cooled DPSSL amplifier

NASA Astrophysics Data System (ADS)

Smith, J. M.; Butcher, T. J.; Mason, P. D.; Ertel, K.; Phillips, P. J.; Banerjee, S.; De Vido, M.; Chekhlov, O.; Divoky, M.; Pilar, J.; Shaikh, W.; Hooker, C.; Lucianetti, A.; Hernandez Gomez, C.; Mocek, T.; Edwards, C.; Collier, J. L.

2018-02-01

We report on the successful demonstration of the world's first kW average power, 100 Joule-class, high-energy, nanosecond pulsed diode-pumped solid-state laser (DPSSL), DiPOLE100. Results from the first long-term test for amplification will be presented; the system was operated for 1 hour with 10 ns duration pulses at 10 Hz pulse repetition rate and an average output energy of 105 J and RMS energy stability of approximately 1%. The laser system is based on scalable cryogenic gas-cooled multi-slab ceramic Yb:YAG amplifier technology. The DiPOLE100 system comprises three major sub-systems, a spatially and temporally shaped front end, a 10 J cryo-amplifier and a 100 J cryo-amplifier. The 10 J cryo-amplifier contain four Yb:YAG ceramic gain media slabs, which are diode pumped from both sides, while a multi-pass architecture configured for seven passes enables 10 J of energy to be extracted at 10 Hz. This seeds the 100 J cryo-amplifier, which contains six Yb:YAG ceramic gain media slabs with the multi-pass configured for four passes. Our future development plans for this architecture will be introduced including closed-loop pulse shaping, increased energy, higher repetition rates and picosecond operation. This laser architecture unlocks the potential for practical applications including new sources for industrial materials processing and high intensity laser matter studies as envisioned for ELI [1], HiLASE [2], and the European XFEL [3]. Alternatively, it can be used as a pump source for higher repetition rate PW-class amplifiers, which can themselves generate high-brightness secondary radiation and ion sources leading to new remote imaging and medical applications.

Role of halogen and hydrogen bonds for stabilization of antithyroid drugs with hypohalous acids (HOX, X = I, Br, and Cl) adducts

NASA Astrophysics Data System (ADS)

El-Sheshtawy, Hamdy S.; El-Mehasseb, Ibrahim

2017-11-01

The mechanism for the inhibition of thyroid hormones by the thioamide-like antithyroid drug is a key process in the thyroid gland function. Therefore, in this study theoretical investigation of the molecular interaction between two antithyroid drugs, namely methimazol (MMI) and thiazoline-2-thione (T2T), with the hypohalous acids (HOX, X = I, Br, and Cl), which act as heme-linked halogenated species to tyrosine residue was discussed. The calculations were performed by M06-2X and MP2 using aug-cc-pVDZ level of theory. In addition, wB97xd/6-31G* level of theory was used in order to account for the dispersion forces. The results show the possible formation of three adducts, which is stabilized by halogen bond (I), both halogen and hydrogen bonds (II), two hydrogen bonds (III). The binding energies of the complexes reveals stabilization in the order III > II > I. The binding energies of the complexes was increased with increasing the electron affinity and polarizability of halogen atom, the dipole moment of the complexes (I and II), the electrostatic potential on halogen atom (Vmax:i.e σ-hole), and the charge-transfer process through the halogen bond in I. On the other hand, the binding energies of the complexes decreased with increasing the halogen atom electronegativity and the dipole moment of complex III. Natural bond orbital (NBO) analysis was used to investigate the molecular orbital interactions and the charge transfer process upon complexation.

The complexities of governing in a social media world.

PubMed

Philpott, Thomas G; Swettenham, Julie

2012-01-01

The complexity of governing has increased with the Internet's introduction of social media. Boards need to be aware of social media impact upon external stakeholder relations, as well as legal responsibilities within the organization. This paper outlines the various implications of social media that a board needs to consider. A governance framework is used to help put the issues in perspective. The conclusion is that boards need to take social media seriously and ensure that their organization has a social media risk mitigation strategy for external communications, as well as eDiscovery. Various other strategies and tactics are suggested to help boards address the challenge.

Binary colloidal structures assembled through Ising interactions

NASA Astrophysics Data System (ADS)

Khalil, Karim S.; Sagastegui, Amanda; Li, Yu; Tahir, Mukarram A.; Socolar, Joshua E. S.; Wiley, Benjamin J.; Yellen, Benjamin B.

2012-04-01

New methods for inducing microscopic particles to assemble into useful macroscopic structures could open pathways for fabricating complex materials that cannot be produced by lithographic methods. Here we demonstrate a colloidal assembly technique that uses two parameters to tune the assembly of over 20 different pre-programmed structures, including kagome, honeycomb and square lattices, as well as various chain and ring configurations. We programme the assembled structures by controlling the relative concentrations and interaction strengths between spherical magnetic and non-magnetic beads, which behave as paramagnetic or diamagnetic dipoles when immersed in a ferrofluid. A comparison of our experimental observations with potential energy calculations suggests that the lowest energy configuration within binary mixtures is determined entirely by the relative dipole strengths and their relative concentrations.

Zonal harmonic model of Saturn's magnetic field from Voyager 1 and 2 observations

NASA Technical Reports Server (NTRS)

Connerney, J. E. P.; Ness, N. F.; Acuna, M. H.

1982-01-01

An analysis of the magnetic field of Saturn is presented which takes into account both the Voyager 1 and 2 vector magnetic field observations. The analysis is based on the traditional spherical harmonic expansion of a scale potential to derive the magnetic field within 8 Saturn radii. A third-order zonal harmonic model fitted to Voyager 1 and 2 observations is found to be capable of predicting the magnetic field characteristics at one encounter based on those observed at another, unlike models including dipole and quadrupole terms only. The third-order model is noted to lead to significantly enhanced polar surface field intensities with respect to dipole models, and probably represents the axisymmetric part of a complex dynamo field.

Interactions of bright and dark solitons with localized PT-symmetric potentials.

PubMed

Karjanto, N; Hanif, W; Malomed, B A; Susanto, H

2015-02-01

We study collisions of moving nonlinear-Schrödinger solitons with a PT-symmetric dipole embedded into the one-dimensional self-focusing or defocusing medium. Accurate analytical results are produced for bright solitons, and, in a more qualitative form, for dark ones. In the former case, an essential aspect of the approximation is that it must take into regard the intrinsic chirp of the soliton, thus going beyond the framework of the simplest quasi-particle description of the soliton's dynamics. Critical velocities separating reflection and transmission of the incident bright solitons are found by means of numerical simulations, and in the approximate semi-analytical form. An exact solution for the dark soliton pinned by the complex PT-symmetric dipole is produced too.

Computational investigation of rearrangements in huisgen cycloadducts of azolium N-dicyanomethanide 1,3-dipoles with alkynes: a mechanistic panoply.

PubMed

Burke, Luke A; Butler, Richard N

2009-08-07

The reaction surfaces leading to rearrangements and ring expansions of azapentalene cycloadducts of imidazolo- and triazolodicyanomethanide 1,3-dipoles with alkynes are studied with the B3LYP DFT method using the 6-31G(d) and 6-311+G(2d,p) basis sets. The surprisingly complex surface involves (1) consecutive but not combined pericyclic steps, a coarctate TS, and pseudopericyclic mechanisms, (2) anchimerically assisted H-atom transfer competing effectively with concerted symmetry-allowed sigmatropic steps, and (3) azolium methanide zwitterions and ketenimines as key intermediates. The azolium methanide is identified as the intermediate detected previously in a variable-temperature NMR experiment that converted the unstable cycloadduct to product imine.

Efficient approach to obtain free energy gradient using QM/MM MD simulation

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

Asada, Toshio; Koseki, Shiro; The Research Institute for Molecular Electronic Devices

2015-12-31

The efficient computational approach denoted as charge and atom dipole response kernel (CDRK) model to consider polarization effects of the quantum mechanical (QM) region is described using the charge response and the atom dipole response kernels for free energy gradient (FEG) calculations in the quantum mechanical/molecular mechanical (QM/MM) method. CDRK model can reasonably reproduce energies and also energy gradients of QM and MM atoms obtained by expensive QM/MM calculations in a drastically reduced computational time. This model is applied on the acylation reaction in hydrated trypsin-BPTI complex to optimize the reaction path on the free energy surface by means ofmore » FEG and the nudged elastic band (NEB) method.« less

Dilution effects on combined magnetic and electric dipole interactions: A study of ferromagnetic cobalt nanoparticles with tuneable interactions

NASA Astrophysics Data System (ADS)

Hod, M.; Dobroserdova, A.; Samin, S.; Dobbrow, C.; Schmidt, A. M.; Gottlieb, M.; Kantorovich, S.

2017-08-01

Improved understanding of complex interactions between nanoparticles will facilitate the control over the ensuing self-assembled structures. In this work, we consider the dynamic changes occurring upon dilution in the self-assembly of a system of ferromagnetic cobalt nanoparticles that combine magnetic, electric, and steric interactions. The systems examined here vary in the strength of the magnetic dipole interactions and the amount of point charges per particle. Scattering techniques are employed for the characterization of the self-assembly aggregates, and zeta-potential measurements are employed for the estimation of surface charges. Our experiments show that for particles with relatively small initial number of surface electric dipoles, an increase in particle concentration results in an increase in diffusion coefficients; whereas for particles with relatively high number of surface dipoles, no effect is observed upon concentration changes. We attribute these changes to a shift in the adsorption/desorption equilibrium of the tri-n-octylphosphine oxide (TOPO) molecules on the particle surface. We put forward an explanation, based on the combination of two theoretical models. One predicts that the growing concentration of electric dipoles, stemming from the addition of tri-n-octylphosphine oxide (TOPO) as co-surfactant during particle synthesis, on the surface of the particles results in the overall repulsive interaction. Secondly, using density functional theory, we explain that the observed behaviour of the diffusion coefficient can be treated as a result of the concentration dependent nanoparticle self-assembly: additional repulsion leads to the reduction in self-assembled aggregate size despite the shorter average interparticle distances, and as such provides the growth of the diffusion coefficient.

Dilution effects on combined magnetic and electric dipole interactions: A study of ferromagnetic cobalt nanoparticles with tuneable interactions.

PubMed

Hod, M; Dobroserdova, A; Samin, S; Dobbrow, C; Schmidt, A M; Gottlieb, M; Kantorovich, S

2017-08-28

Improved understanding of complex interactions between nanoparticles will facilitate the control over the ensuing self-assembled structures. In this work, we consider the dynamic changes occurring upon dilution in the self-assembly of a system of ferromagnetic cobalt nanoparticles that combine magnetic, electric, and steric interactions. The systems examined here vary in the strength of the magnetic dipole interactions and the amount of point charges per particle. Scattering techniques are employed for the characterization of the self-assembly aggregates, and zeta-potential measurements are employed for the estimation of surface charges. Our experiments show that for particles with relatively small initial number of surface electric dipoles, an increase in particle concentration results in an increase in diffusion coefficients; whereas for particles with relatively high number of surface dipoles, no effect is observed upon concentration changes. We attribute these changes to a shift in the adsorption/desorption equilibrium of the tri-n-octylphosphine oxide (TOPO) molecules on the particle surface. We put forward an explanation, based on the combination of two theoretical models. One predicts that the growing concentration of electric dipoles, stemming from the addition of tri-n-octylphosphine oxide (TOPO) as co-surfactant during particle synthesis, on the surface of the particles results in the overall repulsive interaction. Secondly, using density functional theory, we explain that the observed behaviour of the diffusion coefficient can be treated as a result of the concentration dependent nanoparticle self-assembly: additional repulsion leads to the reduction in self-assembled aggregate size despite the shorter average interparticle distances, and as such provides the growth of the diffusion coefficient.

Long-range dipolar order and dispersion forces in polar liquids

NASA Astrophysics Data System (ADS)

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.

Progress Towards Left-Handed Electromagnetic Waves in Rare-Earth Doped Crystals

NASA Astrophysics Data System (ADS)

Brewer, Nicholas Riley

In 1968 Victor Veselago determined that a material with both a negative permittivity and negative permeability would have some extraordinary properties. The index of refraction of this material would be negative and light propagating inside would be 'left-handed'. This research went relatively unnoticed until the year 2000 when John Pendry discovered that a lens with an index of refraction of n = -1 could, in principle, have infinite resolution. Since 2000, research into negative index materials has exploded. The challenging part of this research is to get a material to respond to magnetic fields at optical frequencies. Artificially created metamaterials are able to achieve this and have been the focus of most negative index research. The long term goal of our project is to produce left-handed light in an atomic system. In order to do this, an atomic transition needs to be utilized that is magnetic dipole in character. Pure magnetic dipole transitions in the optical regime are more rare and fundamentally much weaker than the electric dipole transitions typically used in atomic physics experiments. They can be found, however, in the complex atomic structure of rare-earth elements. The 7F0 → 5D 1 transition in europium doped yttrium orthosilicate (Eu3+:Y 2SiO5) has a wavelength of 527.5 nm and is a pure magnetic dipole transition. We measured its dipole moment to be (0.063 +/- 0.005)mu B via Rabi oscillations, inferring a magnetization on the order of 10 -2 A/m. Demonstrating this large magnetic response at an optical frequency is a major first step in realizing left-handed light in atomic systems.

Dissipative structures, machines, and organisms: A perspective

NASA Astrophysics Data System (ADS)

Kondepudi, Dilip; Kay, Bruce; Dixon, James

2017-10-01

Self-organization in nonequilibrium systems resulting in the formation of dissipative structures has been studied in a variety of systems, most prominently in chemical systems. We present a study of a voltage-driven dissipative structure consisting of conducting beads immersed in a viscous medium of oil. In this simple system, we observed remarkably complex organism-like behavior. The dissipative structure consists of a tree structure that spontaneously forms and moves like a worm and exhibits many features characteristic of living organisms. The complex motion of the beads driven by the applied field, the dipole-dipole interaction between the beads, and the hydrodynamic flow of the viscous medium result in a time evolution of the tree structure towards states of lower resistance or higher dissipation and thus higher rates of entropy production. The resulting end-directed evolution manifests as the tree moving to locations seeking higher current, the current that sustains its structure and dynamics. The study of end-directed evolution in the dissipative structure gives us a means to distinguish the fundamental difference between machines and organisms and opens a path for the formulation of physics of organisms.

Investigations on the charge transfer mechanism at donor/acceptor interfaces in the quest for descriptors of organic solar cell performance.

PubMed

Muraoka, Azusa; Fujii, Mikiya; Mishima, Kenji; Matsunaga, Hiroki; Benten, Hiroaki; Ohkita, Hideo; Ito, Shinzaburo; Yamashita, Koichi

2018-05-07

Herein, we theoretically and experimentally investigated the mechanisms of charge separation processes of organic thin-film solar cells. PTB7, PTB1, and PTBF2 have been chosen as donors and PC 71 BM has been chosen as an acceptor considering that effective charge generation depends on the difference between the material combinations. Experimental results of transient absorption spectroscopy show that the hot process is a key step for determining external quantum efficiency (EQE) in these systems. From the quantum chemistry calculations, it has been found that EQE tends to increase as the transferred charge, charge transfer distance, and variation of dipole moments between the ground and excited states of the donor/acceptor complexes increase; this indicates that these physical quantities are a good descriptor to assess the donor-acceptor charge transfer quality contributing to the solar cell performance. We propose that designing donor/acceptor interfaces with large values of charge transfer distance and variation of dipole moments of the donor/acceptor complexes is a prerequisite for developing high-efficiency polymer/PCBM solar cells.

Constructing Narrative Ecologies as a Site for Teachers' Professional Learning with New Technologies and Media in Primary Education

ERIC Educational Resources Information Center

Turvey, Keith

2012-01-01

This article argues that to understand how new technologies and media can become co-agents in the process of pedagogical change, we first need to understand teachers' complex relationship with new technologies and media in both their personal and their professional lives. A conceptual framework is delineated for constructing a complex narrative…

Strategic Communication Joint Integrating Concept. Version 1.0

DTIC Science & Technology

2009-10-07

information and knowledge on complex social communication systems, to include the characteristics of various media channels and the intentions... social or media networks.  Including strategic communication instructions as an integral part of the main body of an operation order or plan...information and knowledge on complex social communication systems, to include the characteristics of various media SC-004.2T Access

"It's Just Not Very Realistic": Perceptions of Media Among Pregnant and Postpartum Women.

PubMed

Liechty, Toni; Coyne, Sarah M; Collier, Kevin M; Sharp, Aubrey D

2018-07-01

Although research has documented a connection between media and body image for women, little research has explored this connection among pregnant or postpartum women. The purpose of this study was to explore women's perceptions of media and body image during the perinatal period. Fredrickson's objectification theory provided a theoretical framework for the study. Data collection involved semi-structured in-depth interviews with 50 pregnant or postpartum women in which they were asked to describe their perceptions of media depictions of pregnant or postpartum women and its impact on their body image. Interviews were audio-recorded, transcribed verbatim, and analyzed thematically. Four major themes emerged: (1) participants questioned the realism of media depictions of pregnant and postpartum women, (2) participants described complex reactions to media messages including negative impacts on body image and strategies for mitigating negative impacts, (3) participants desired changes in media messages to be more realistic and to depict a more complex portrayal of the life stage, and (4) participants discussed the unique and complex role of social media including both negative and positive impacts. Implications of the findings for pregnant and postpartum women, communication scholars, and healthcare professionals are discussed.

Coupled-resonator waveguide perfect transport single-photon by interatomic dipole-dipole interaction

NASA Astrophysics Data System (ADS)

Yan, Guo-an; Lu, Hua; Qiao, Hao-xue; Chen, Ai-xi; Wu, Wan-qing

2018-06-01

We theoretically investigate single-photon coherent transport in a one-dimensional coupled-resonator waveguide coupled to two quantum emitters with dipole-dipole interactions. The numerical simulations demonstrate that the transmission spectrum of the photon depends on the two atoms dipole-dipole interactions and the photon-atom couplings. The dipole-dipole interactions may change the dip positions in the spectra and the coupling strength may broaden the frequency band width in the transmission spectrum. We further demonstrate that the typical transmission spectra split into two dips due to the dipole-dipole interactions. This phenomenon may be used to manufacture new quantum waveguide devices.

Enhanced and tunable electric dipole-dipole interactions near a planar metal film

NASA Astrophysics Data System (ADS)

Zhou, Lei-Ming; Yao, Pei-Jun; Zhao, Nan; Sun, Fang-Wen

2017-08-01

We investigate the enhanced electric dipole-dipole interaction of surface plasmon polaritons (SPPs) supported by a planar metal film waveguide. By taking two nitrogen-vacancy (NV) center electric dipoles in diamond as an example, both the coupling strength and collective relaxation of two dipoles are studied with the numerical Green Function method. Compared to two-dipole coupling on a planar surface, metal film provides stronger and tunable coupling coefficients. Enhancement of the interaction between coupled NV center dipoles could have applications in both quantum information and energy transfer investigation. Our investigation provides systematic results for experimental applications based on a dipole-dipole interaction mediated with SPPs on a planar metal film.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Inverse computation for cardiac sources using single current dipole and current multipole models

NASA Astrophysics Data System (ADS)

Wang, Qian; Ma, Ping; Lu, Hong; Tang, Xue-Zheng; Hua, Ning; Tang, Fa-Kuan

2009-12-01

Two cardiac functional models are constructed in this paper. One is a single current model and the other is a current multipole model. Parameters denoting the properties of these two models are calculated by a least-square fit to the measurements using a simulated annealing algorithm. The measured signals are detected at 36 observation nodes by a superconducting quantum interference device (SQUID). By studying the trends of position, orientation and magnitude of the single current dipole model and the current multipole model in the QRS complex during one time span and comparing the reconstructed magnetocardiography (MCG) of these two cardiac models, we find that the current multipole model is a more appropriate model to represent cardiac electrophysiological activity.

Symposium on Research and Utilization of Educational Media for Teaching the Deaf: The Educational Media Complex (Nebraska Center for Continuing Education, Lincoln, Nebraska, April 10-12, 1967).

ERIC Educational Resources Information Center

Nebraska Univ., Lincoln. Dept. of Educational Administration.

Papers consider the problems of combining library science and audiovisual education into educational media complexes, or instructional materials centers (IMC's), in schools for the deaf. Areas covered include the concept of such centers, their relationship with the school library, and the personnel, equipment, materials, and production facilities…

Transfer of dipolar gas through the discrete localized mode.

PubMed

Bai, Xiao-Dong; Zhang, Ai-Xia; Xue, Ju-Kui

2013-12-01

By considering the discrete nonlinear Schrödinger model with dipole-dipole interactions for dipolar condensate, the existence, the types, the stability, and the dynamics of the localized modes in a nonlinear lattice are discussed. It is found that the contact interaction and the dipole-dipole interactions play important roles in determining the existence, the type, and the stability of the localized modes. Because of the coupled effects of the contact interaction and the dipole-dipole interactions, rich localized modes and their stability nature can exist: when the contact interaction is larger and the dipole-dipole interactions is smaller, a discrete bright breather occurs. In this case, while the on-site interaction can stabilize the discrete breather, the dipole-dipole interactions will destabilize the discrete breather; when both the contact interaction and the dipole-dipole interactions are larger, a discrete kink appears. In this case, both the on-site interaction and the dipole-dipole interactions can stabilize the discrete kink, but the discrete kink is more unstable than the ordinary discrete breather. The predicted results provide a deep insight into the dynamics of blocking, filtering, and transfer of the norm in nonlinear lattices for dipolar condensates.

Formation of core-shell structured complex microparticles during fabrication of magnetorheological elastomers and their magnetorheological behavior

NASA Astrophysics Data System (ADS)

Wang, Yonghong; Zhang, Xinru; Chung, Kyungho; Liu, Chengcen; Choi, Seung-Bok; Choi, Hyoung Jin

2016-11-01

To improve mechanical and magnetorheological properties of magnetorheological elastomers (MREs), a facile method was used to fabricate high-performance MREs which consisted of the core-shell complex microparticles with an organic-inorganic network structure dispersed in an ethylene propylene diene rubber. In this work, the proposed magnetic complex microparticles were in situ formed during MREs fabrication as a result of strong interaction between matrix and CIPs using carbon black as a connecting point. The morphology of both isotropic (i-MREs) and anisotropic MREs (a-MREs) was observed by scanning electron microscope (SEM). The effects of carbonyl iron particle (CIP) volume content on mechanical properties and hysteresis loss of MREs were investigated. The effects of CIP volume content on the shear storage modulus, MR effect and loss tangent were studied using a modified dynamic mechanical analyzer under applied magnetic field strengths. The results showed that the orientation effect became more pronounced with increasing CIPs in the a-MREs, whereas CIPs distributed uniformly in the i-MREs. The tensile strength, tear strength and elongation at break decreased with increasing CIP content up to 40 vol.%, while the hardness increased. It is worth noting that the tensile strength of i-MREs and a-MREs containing 40 vol.% CIPs still had high mechanical properties as a result of good compatibility between complex microparticles and rubber matrix. The MR performance of shear storage modulus and damping properties of MREs increased remarkably with CIP content due to strong dipole-dipole interaction of complex microparticles. Besides, the hysteresis loss increased with increasing CIP content as a result of magnetic field induced interfacial sliding between complex microparticles.

Electronic structure of transition metal-cysteine complexes from X-ray absorption spectroscopy.

PubMed

Leung, Bonnie O; Jalilehvand, Farideh; Szilagyi, Robert K

2008-04-17

The electronic structures of HgII, NiII, CrIII, and MoV complexes with cysteine were investigated by sulfur K-edge X-ray absorption near-edge structure (XANES) spectroscopy and density functional theory. The covalency in the metal-sulfur bond was determined by analyzing the intensities of the electric-dipole allowed pre-edge features appearing in the XANES spectra below the ionization threshold. Because of the well-defined structures of the selected cysteine complexes, the current work provides a reference set for further sulfur K-edge XAS studies of bioinorganic active sites with transition metal-sulfur bonds from cysteine residues as well as more complex coordination compounds with thiolate ligands.

Toward Shared Working Space of Human and Robotic Agents Through Dipole Flow Field for Dependable Path Planning.

PubMed

Trinh, Lan Anh; Ekström, Mikael; Cürüklü, Baran

2018-01-01

Recent industrial developments in autonomous systems, or agents, which assume that humans and the agents share the same space or even work in close proximity, open for new challenges in robotics, especially in motion planning and control. In these settings, the control system should be able to provide these agents a reliable path following control when they are working in a group or in collaboration with one or several humans in complex and dynamic environments. In such scenarios, these agents are not only moving to reach their goals, i.e., locations, they are also aware of the movements of other entities to find a collision-free path. Thus, this paper proposes a dependable, i.e., safe, reliable and effective, path planning algorithm for a group of agents that share their working space with humans. Firstly, the method employs the Theta * algorithm to initialize the paths from a starting point to a goal for a set of agents. As Theta * algorithm is computationally heavy, it only reruns when there is a significant change of the environment. To deal with the movements of the agents, a static flow field along the configured path is defined. This field is used by the agents to navigate and reach their goals even if the planned trajectories are changed. Secondly, a dipole field is calculated to avoid the collision of agents with other agents and human subjects. In this approach, each agent is assumed to be a source of a magnetic dipole field in which the magnetic moment is aligned with the moving direction of the agent. The magnetic dipole-dipole interactions between these agents generate repulsive forces to help them to avoid collision. The effectiveness of the proposed approach has been evaluated with extensive simulations. The results show that the static flow field is able to drive agents to the goals with a small number of requirements to update the path of agents. Meanwhile, the dipole flow field plays an important role to prevent collisions. The combination of these two fields results in a safe path planning algorithm, with a deterministic outcome, to navigate agents to their desired goals.

Information entropy to measure the spatial and temporal complexity of solute transport in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Li, Weiyao; Huang, Guanhua; Xiong, Yunwu

2016-04-01

The complexity of the spatial structure of porous media, randomness of groundwater recharge and discharge (rainfall, runoff, etc.) has led to groundwater movement complexity, physical and chemical interaction between groundwater and porous media cause solute transport in the medium more complicated. An appropriate method to describe the complexity of features is essential when study on solute transport and conversion in porous media. Information entropy could measure uncertainty and disorder, therefore we attempted to investigate complexity, explore the contact between the information entropy and complexity of solute transport in heterogeneous porous media using information entropy theory. Based on Markov theory, two-dimensional stochastic field of hydraulic conductivity (K) was generated by transition probability. Flow and solute transport model were established under four conditions (instantaneous point source, continuous point source, instantaneous line source and continuous line source). The spatial and temporal complexity of solute transport process was characterized and evaluated using spatial moment and information entropy. Results indicated that the entropy increased as the increase of complexity of solute transport process. For the point source, the one-dimensional entropy of solute concentration increased at first and then decreased along X and Y directions. As time increased, entropy peak value basically unchanged, peak position migrated along the flow direction (X direction) and approximately coincided with the centroid position. With the increase of time, spatial variability and complexity of solute concentration increase, which result in the increases of the second-order spatial moment and the two-dimensional entropy. Information entropy of line source was higher than point source. Solute entropy obtained from continuous input was higher than instantaneous input. Due to the increase of average length of lithoface, media continuity increased, flow and solute transport complexity weakened, and the corresponding information entropy also decreased. Longitudinal macro dispersivity declined slightly at early time then rose. Solute spatial and temporal distribution had significant impacts on the information entropy. Information entropy could reflect the change of solute distribution. Information entropy appears a tool to characterize the spatial and temporal complexity of solute migration and provides a reference for future research.

Ab initio theoretical study of dipole-bound anions of molecular complexes: (HF)3- and (HF)4- anions

NASA Astrophysics Data System (ADS)

Ramaekers, Riet; Smith, Dayle M. A.; Smets, Johan; Adamowicz, Ludwik

1997-12-01

Ab initio calculations have been performed to determine structures and vertical electron detachment energy (VDE) of the hydrogen fluoride trimer and tetramer anions, (HF)3- and (HF)4-. In these systems the excess electron is bound by the dipole field of the complex. It was determined that, unlike the neutral complexes which prefer the cyclic structures, the equilibrium geometries of the anions have "zig-zag" shapes. For both complexes the predicted VDEs are positive [210 meV and 363 meV for (HF)3- and (HF)4-, respectively], indicating that the anions are stable systems with respect to the vertical electron detachment. These results were obtained at the coupled-cluster level of theory with single, double and triple excitations [CCSD(T) method; the triple-excitation contribution in this method is calculated approximately using the perturbation approach] with the anion geometries obtained using the second-order Møller-Plesset perturbation theory (MP2) method. The same approach was also used to determine the adiabatic electron affinities (AEA) of (HF)3 and (HF)4. In addition to the electronic contribution, we also calculated the contributions (using the harmonic approximation) resulting from different zero-point vibration energies of the neutral and anionic clusters. The calculations predicted that while the AEA of (HF)3 is positive (44 meV), the AEA for (HF)4 is marginally negative (-16 meV). This suggests that the (HF)3- anion should be a stable system, while the (HF)4- is probably metastable.

Framing the Future of Fanfiction: How "The New York Times"' Portrayal of a Youth Media Subculture Influences Beliefs about Media Literacy Education

ERIC Educational Resources Information Center

Berkowitz, Drew Emanuel

2012-01-01

This article discusses how online fanfiction communities, their members, and their literacy practices are portrayed within popular and news media discourses. Many media literacy scholars believe these youth media subcultures practice complex and sophisticated forms of "new media" literacy. However, when educators attempt to incorporate…

Dynamics of vortex dipoles in anisotropic Bose-Einstein condensates

DOE PAGES

Goodman, Roy H.; Kevrekidis, P. G.; Carretero-González, R.

2015-04-14

We study the motion of a vortex dipole in a Bose-Einstein condensate confined to an anisotropic trap. We focus on a system of ODEs describing the vortices' motion, which is in turn a reduced model of the Gross-Pitaevskii equation describing the condensate's motion. Using a sequence of canonical changes of variables, we reduce the dimension and simplify the equations of motion. In this study, we uncover two interesting regimes. Near a family of periodic orbits known as guiding centers, we find that the dynamics is essentially that of a pendulum coupled to a linear oscillator, leading to stochastic reversals inmore » the overall direction of rotation of the dipole. Near the separatrix orbit in the isotropic system, we find other families of periodic, quasi-periodic, and chaotic trajectories. In a neighborhood of the guiding center orbits, we derive an explicit iterated map that simplifies the problem further. Numerical calculations are used to illustrate the phenomena discovered through the analysis. Using the results from the reduced system, we are able to construct complex periodic orbits in the original, PDE, mean-field model for Bose-Einstein condensates, which corroborates the phenomenology observed in the reduced dynamical equations.« less

Dynamics of vortex dipoles in anisotropic Bose-Einstein condensates

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

Goodman, Roy H.; Kevrekidis, P. G.; Carretero-González, R.

We study the motion of a vortex dipole in a Bose-Einstein condensate confined to an anisotropic trap. We focus on a system of ODEs describing the vortices' motion, which is in turn a reduced model of the Gross-Pitaevskii equation describing the condensate's motion. Using a sequence of canonical changes of variables, we reduce the dimension and simplify the equations of motion. In this study, we uncover two interesting regimes. Near a family of periodic orbits known as guiding centers, we find that the dynamics is essentially that of a pendulum coupled to a linear oscillator, leading to stochastic reversals inmore » the overall direction of rotation of the dipole. Near the separatrix orbit in the isotropic system, we find other families of periodic, quasi-periodic, and chaotic trajectories. In a neighborhood of the guiding center orbits, we derive an explicit iterated map that simplifies the problem further. Numerical calculations are used to illustrate the phenomena discovered through the analysis. Using the results from the reduced system, we are able to construct complex periodic orbits in the original, PDE, mean-field model for Bose-Einstein condensates, which corroborates the phenomenology observed in the reduced dynamical equations.« less

Tissue dielectric measurement using an interstitial dipole antenna.

PubMed

Wang, Peng; Brace, Christopher L

2012-01-01

The purpose of this study was to develop a technique to measure the dielectric properties of biological tissues with an interstitial dipole antenna based upon previous efforts for open-ended coaxial probes. The primary motivation for this technique is to facilitate treatment monitoring during microwave tumor ablation by utilizing the heating antenna without additional intervention or interruption of the treatment. The complex permittivity of a tissue volume surrounding the antenna was calculated from reflection coefficients measured after high-temperature microwave heating by using a rational function model of the antenna's input admittance. Three referencing liquids were needed for measurement calibration. The dielectric measurement technique was validated ex vivo in normal and ablated bovine livers. Relative permittivity and effective conductivity were lower in the ablation zone when compared to normal tissue, consistent with previous results. The dipole technique demonstrated a mean 10% difference of permittivity values when compared to open-ended coaxial cable measurements in the frequency range of 0.5-20 GHz. Variability in measured permittivities could be smoothed by fitting to a Cole-Cole dispersion model. Further development of this technique may facilitate real-time monitoring of microwave ablation treatments through the treatment applicator. © 2011 IEEE

Selective Plasmonic Enhancement of Electric- and Magnetic-Dipole Radiations of Er Ions.

PubMed

Choi, Bongseok; Iwanaga, Masanobu; Sugimoto, Yoshimasa; Sakoda, Kazuaki; Miyazaki, Hideki T

2016-08-10

Lanthanoid series are unique in atomic elements. One reason is because they have 4f electronic states forbidding electric-dipole (ED) transitions in vacuum and another reason is because they are very useful in current-day optical technologies such as lasers and fiber-based telecommunications. Trivalent Er ions are well-known as a key atomic element supporting 1.5 μm band optical technologies and also as complex photoluminescence (PL) band deeply mixing ED and magnetic-dipole (MD) transitions. Here we show large and selective enhancement of ED and MD radiations up to 83- and 26-fold for a reference bulk state, respectively, in experiments employing plasmonic nanocavity arrays. We achieved the marked PL enhancement by use of an optimal design for electromagnetic (EM) local density of states (LDOS) and by Er-ion doping in deep subwavelength precision. We moreover clarify the quantitative contribution of ED and MD radiations to the PL band, and the magnetic Purcell effect in the PL-decay temporal measurement. This study experimentally demonstrates a new scheme of EM-LDOS engineering in plasmon-enhanced photonics, which will be a key technique to develop loss-compensated and active plasmonic devices.

Tissue Dielectric Measurement Using an Interstitial Dipole Antenna

PubMed Central

Wang, Peng; Brace, Christopher L.

2012-01-01

The purpose of this study was to develop a technique to measure the dielectric properties of biological tissues with an interstitial dipole antenna based upon previous efforts for open-ended coaxial probes. The primary motivation for this technique is to facilitate treatment monitoring during microwave tumor ablation by utilizing the heating antenna without additional intervention or interruption of the treatment. The complex permittivity of a tissue volume surrounding the antenna was calculated from reflection coefficients measured after high-temperature microwave heating by using a rational function model of the antenna’s input admittance. Three referencing liquids were needed for measurement calibration. The dielectric measurement technique was validated ex vivo in normal and ablated bovine livers. Relative permittivity and effective conductivity were lower in the ablation zone when compared to normal tissue, consistent with previous results. The dipole technique demonstrated a mean 10% difference of permittivity values when compared to open-ended coaxial cable measurements in the frequency range of 0.5–20 GHz. Variability in measured permittivities could be smoothed by fitting to a Cole–Cole dispersion model. Further development of this technique may facilitate real-time monitoring of microwave ablation treatments through the treatment applicator. PMID:21914566

Organic bioelectronics probing conformational changes in surface confined proteins

NASA Astrophysics Data System (ADS)

Macchia, Eleonora; Alberga, Domenico; Manoli, Kyriaki; Mangiatordi, Giuseppe F.; Magliulo, Maria; Palazzo, Gerardo; Giordano, Francesco; Lattanzi, Gianluca; Torsi, Luisa

2016-06-01

The study of proteins confined on a surface has attracted a great deal of attention due to its relevance in the development of bio-systems for laboratory and clinical settings. In this respect, organic bio-electronic platforms can be used as tools to achieve a deeper understanding of the processes involving protein interfaces. In this work, biotin-binding proteins have been integrated in two different organic thin-film transistor (TFT) configurations to separately address the changes occurring in the protein-ligand complex morphology and dipole moment. This has been achieved by decoupling the output current change upon binding, taken as the transducing signal, into its component figures of merit. In particular, the threshold voltage is related to the protein dipole moment, while the field-effect mobility is associated with conformational changes occurring in the proteins of the layer when ligand binding occurs. Molecular Dynamics simulations on the whole avidin tetramer in presence and absence of ligands were carried out, to evaluate how the tight interactions with the ligand affect the protein dipole moment and the conformation of the loops surrounding the binding pocket. These simulations allow assembling a rather complete picture of the studied interaction processes and support the interpretation of the experimental results.

Anisotropic semivortices in dipolar spinor condensates controlled by Zeeman splitting

NASA Astrophysics Data System (ADS)

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.

2-vertex Lorentzian spin foam amplitudes for dipole transitions

NASA Astrophysics Data System (ADS)

Sarno, Giorgio; Speziale, Simone; Stagno, Gabriele V.

2018-04-01

We compute transition amplitudes between two spin networks with dipole graphs, using the Lorentzian EPRL model with up to two (non-simplicial) vertices. We find power-law decreasing amplitudes in the large spin limit, decreasing faster as the complexity of the foam increases. There are no oscillations nor asymptotic Regge actions at the order considered, nonetheless the amplitudes still induce non-trivial correlations. Spin correlations between the two dipoles appear only when one internal face is present in the foam. We compute them within a mini-superspace description, finding positive correlations, decreasing in value with the Immirzi parameter. The paper also provides an explicit guide to computing Lorentzian amplitudes using the factorisation property of SL(2,C) Clebsch-Gordan coefficients in terms of SU(2) ones. We discuss some of the difficulties of non-simplicial foams, and provide a specific criterion to partially limit the proliferation of diagrams. We systematically compare the results with the simplified EPRLs model, much faster to evaluate, to learn evidence on when it provides reliable approximations of the full amplitudes. Finally, we comment on implications of our results for the physics of non-simplicial spin foams and their resummation.

Electronic Asymmetry by Compositionally Braking Inversion Symmetry

NASA Astrophysics Data System (ADS)

Warusawithana, Maitri

2005-03-01

By stacking molecular layers of 3 different perovskite titanate phases, BaTiO3, SrTiO3 and CaTiO3 with atomic layer control, we construct nanostructures where global inversion symmetry is broken. With the structures clamped to the substrate, the stacking order gives rise to asymmetric strain fields. The dielectric response show asymmetric field tuning consistent with the symmetry of the stacking order. By analyzing the temperature and frequency dependence of the complex dielectric constant, we show that the response comes from activated switching of dipoles between two asymmetric states separated by an energy barrier. We find the size of average dipole units from the temperature dependence of the linewidth of field tuning curves to be around 10 unit cells in all the different nanostructures we investigate. At low temperatures we observe a deviation from the kinetic response suggesting a further growth in correlations. Pyrocurrent measurements confirm this observation indicating a phase transition to a ferro-like state. We explain the high temperature dipoles as single unit cell cross sectional columns correlated via the strain fields in the stacking direction, with the height somewhat short of the film thickness possibly due to some form of weak disorder.

Photothermal microfluidic cantilever deflection spectroscopy reflecting clustering mechanism of ethanol water mixtures

NASA Astrophysics Data System (ADS)

Ghoraishi, Maryam; Hawk, John; Thundat, Thomas

Aqueous mixture of alcohol is a typical prototype for biomolecules, micelle formation, and structural stability of proteins. Therefore, Short chain alcohols such as EtOH have been used as a simple model for understanding of more complex aqueous biomolecules. Here we study vibrational energy peaks of EtOH water binary mixtures using micromechanical calorimetric spectroscopy using bimaterial microfluidic cantilevers (BMC). The IR spectra of EtOH-water are experimentally collected employing a BMC as concentration of EtOH changes from 20-100 wt%. As concentration of EtOH varies in the mixture, considerable shifts in the wavenumber at IR absorption peak maxima are reported. The experimentally measured shifts in the wavenumber at IR absorption peak maxima are related to changes in dipole moment (μ) of EtOH at different concentration. The relationship between IR absorption wavenumber for both anti and gauche conformers of EtOH, and inverse dipole moment, 1/ μ, of EtOH at different concentrations follows a power law dependence. Our technique offers a platform to investigate dipole effect on molecular vibrations of mixtures in confined picoliter volumes, previously unexplored with other analytical techniques due to limitations of volume under study.

Organic bioelectronics probing conformational changes in surface confined proteins

PubMed Central

Macchia, Eleonora; Alberga, Domenico; Manoli, Kyriaki; Mangiatordi, Giuseppe F.; Magliulo, Maria; Palazzo, Gerardo; Giordano, Francesco; Lattanzi, Gianluca; Torsi, Luisa

2016-01-01

The study of proteins confined on a surface has attracted a great deal of attention due to its relevance in the development of bio-systems for laboratory and clinical settings. In this respect, organic bio-electronic platforms can be used as tools to achieve a deeper understanding of the processes involving protein interfaces. In this work, biotin-binding proteins have been integrated in two different organic thin-film transistor (TFT) configurations to separately address the changes occurring in the protein-ligand complex morphology and dipole moment. This has been achieved by decoupling the output current change upon binding, taken as the transducing signal, into its component figures of merit. In particular, the threshold voltage is related to the protein dipole moment, while the field-effect mobility is associated with conformational changes occurring in the proteins of the layer when ligand binding occurs. Molecular Dynamics simulations on the whole avidin tetramer in presence and absence of ligands were carried out, to evaluate how the tight interactions with the ligand affect the protein dipole moment and the conformation of the loops surrounding the binding pocket. These simulations allow assembling a rather complete picture of the studied interaction processes and support the interpretation of the experimental results. PMID:27312768

Standardized UXO Technology Demonstration Site, Scoring Record No. 928

DTIC Science & Technology

2011-03-01

magnetic permittivity (possibly complex and frequency dependent), ω is radian frequency, Vrx is the voltage at the receiver coil, txn̂ and rxn̂ are the...voltage induced in the receiver coil Vrx due to the induced target dipole moment m  is related to magnetic field uxoH  at the target due to a

Interpreting tracer breakthrough tailing from different forced-gradient tracer experiment configurations in fractured bedrock

USGS Publications Warehouse

Becker, M.W.; Shapiro, A.M.

2003-01-01

Conceptual and mathematical models are presented that explain tracer breakthrough tailing in the absence of significant matrix diffusion. Model predictions are compared to field results from radially convergent, weak-dipole, and push-pull tracer experiments conducted in a saturated crystalline bedrock. The models are based upon the assumption that flow is highly channelized, that the mass of tracer in a channel is proportional to the cube of the mean channel aperture, and the mean transport time in the channel is related to the square of the mean channel aperture. These models predict the consistent -2 straight line power law slope observed in breakthrough from radially convergent and weak-dipole tracer experiments and the variable straight line power law slope observed in push-pull tracer experiments with varying injection volumes. The power law breakthrough slope is predicted in the absence of matrix diffusion. A comparison of tracer experiments in which the flow field was reversed to those in which it was not indicates that the apparent dispersion in the breakthrough curve is partially reversible. We hypothesize that the observed breakthrough tailing is due to a combination of local hydrodynamic dispersion, which always increases in the direction of fluid velocity, and heterogeneous advection, which is partially reversed when the flow field is reversed. In spite of our attempt to account for heterogeneous advection using a multipath approach, a much smaller estimate of hydrodynamic dispersivity was obtained from push-pull experiments than from radially convergent or weak dipole experiments. These results suggest that although we can explain breakthrough tailing as an advective phenomenon, we cannot ignore the relationship between hydrodynamic dispersion and flow field geometry at this site. The design of the tracer experiment can severely impact the estimation of hydrodynamic dispersion and matrix diffusion in highly heterogeneous geologic media.

CAN WE PREDICT THE GLOBAL MAGNETIC TOPOLOGY OF A PRE-MAIN-SEQUENCE STAR FROM ITS POSITION IN THE HERTZSPRUNG-RUSSELL DIAGRAM?

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

Gregory, S. G.; Hillenbrand, L. A.; Donati, J.-F.

2012-08-20

Zeeman-Doppler imaging studies have shown that the magnetic fields of T Tauri stars can be significantly more complex than a simple dipole and can vary markedly between sources. We collect and summarize the magnetic field topology information obtained to date and present Hertzsprung-Russell (H-R) diagrams for the stars in the sample. Intriguingly, the large-scale field topology of a given pre-main-sequence (PMS) star is strongly dependent upon the stellar internal structure, with the strength of the dipole component of its multipolar magnetic field decaying rapidly with the development of a radiative core. Using the observational data as a basis, we arguemore » that the general characteristics of the global magnetic field of a PMS star can be determined from its position in the H-R diagram. Moving from hotter and more luminous to cooler and less luminous stars across the PMS of the H-R diagram, we present evidence for four distinct magnetic topology regimes. Stars with large radiative cores, empirically estimated to be those with a core mass in excess of {approx}40% of the stellar mass, host highly complex and dominantly non-axisymmetric magnetic fields, while those with smaller radiative cores host axisymmetric fields with field modes of higher order than the dipole dominant (typically, but not always, the octupole). Fully convective stars above {approx}> 0.5 M{sub Sun} appear to host dominantly axisymmetric fields with strong (kilo-Gauss) dipole components. Based on similarities between the magnetic properties of PMS stars and main-sequence M-dwarfs with similar internal structures, we speculate that a bistable dynamo process operates for lower mass stars ({approx}< 0.5 M{sub Sun} at an age of a few Myr) and that they will be found to host a variety of magnetic field topologies. If the magnetic topology trends across the H-R diagram are confirmed, they may provide a new method of constraining PMS stellar evolution models.« less

Fluid dynamic instabilities: theory and application to pattern forming in complex media

PubMed Central

Brun, P.-T.

2017-01-01

In this review article, we exemplify the use of stability analysis tools to rationalize pattern formation in complex media. Specifically, we focus on fluid flows, and show how the destabilization of their interface sets the blueprint of the patterns they eventually form. We review the potential use and limitations of the theoretical methods at the end, in terms of their applications to practical settings, e.g. as guidelines to design and fabricate structures while harnessing instabilities. This article is part of the themed issue ‘Patterning through instabilities in complex media: theory and applications’. PMID:28373378

Photoinduced charge-transfer electronic excitation of tetracyanoethylene/tetramethylethylene complex in dichloromethane

NASA Astrophysics Data System (ADS)

Xu, Long-Kun; Bi, Ting-Jun; Ming, Mei-Jun; Wang, Jing-Bo; Li, Xiang-Yuan

2017-07-01

Based on the previous work on nonequilibrium solvation model by the authors, Intermolecular charge-transfer electronic excitation of tetracyanoethylene (TCE)/tetramethylethylene (TME) π -stacked complex in dichloromethane (DCM) has been investigated. For weak interaction correction, dispersion corrected functional DFT-D3 is adopted for geometry optimization. In order to identify the excitation metric, dipole moment components of each Cartesian direction, atomic charge, charge separation and Δr index are analyzed for TCE/TME complex. Calculation shows that the calculated excitation energy is dependent on the functional choice, when conjuncted with suitable time-dependent density functional, the modified nonequilibrium expression gives satisfied results for intermolecular charge-transfer electronic excitation.

Managing Increasing Complexity in Undergraduate Digital Media Design Education: The Impact and Benefits of Multidisciplinary Collaboration

ERIC Educational Resources Information Center

Fleischmann, Katja; Daniel, Ryan

2013-01-01

Increasing complexity is one of the most pertinent issues when discussing the role and future of design, designers and their education. The evolving nature of digital media technology has resulted in a profession in a state of flux with increasingly complex communication and design problems. The ability to collaborate and interact with other…

Enhancement of IR and VCD intensities due to charge transfer.

PubMed

Nicu, Valentin Paul; Autschbach, Jochen; Baerends, Evert Jan

2009-03-14

Donor-acceptor interactions such as the one between the Cl(-) base and the N-H sigma* acceptor orbitals encountered in the complexation of Cl(-) counterions to the [Co(en)(3)](3+) transition metal complex, have been shown to cause huge enhancement (between 1 and 2 orders of magnitude) of the VCD intensities of N-H stretching modes. This effect has been fully analyzed, and could be attributed to increased charge flow from the Cl(-) donors when the N-H bonds become stretched. The transfer of charge counteracts the movement of negative electronic charge that happens along with the motion of the H nuclei, effectively reversing the electronic part of the electric dipole transition moment (EDTM) in the direction of the charge flow (z, say), and of the magnetic transition dipole moment (MDTM) in the perpendicular direction. The consequences for the IR and VCD intensity follow: IR intensity is strongly increased if the EDTM is polarized in the z direction, e.g. in A(2) modes, but not so much if it is polarized in the xy plane (E modes), the VCD is strongly enhanced if the EDTM and MTDM are polarized in the xy plane (in E modes), but less so when they are polarized in the z direction (in A(2) modes). The explanation holds generally for complexation phenomena of this sort, including the donor-acceptor part of hydrogen bonding interactions, e.g. with solvent molecules.

Conformational Properties, Spectroscopy and Structure of ISATIN-(WATER)_{n=1-3} Clusters

NASA Astrophysics Data System (ADS)

Singh, Milind K.; Upadhya, D. M.; Singh, Vipin B.

2009-06-01

The structure, stability and vibrational characteristics of Isatin-(Water)_n clusters with n=1=3 have been investigated using second order Moller-Plesset (MP2) perturbation tehory and Density Functional Theory (with B3LYP) methods employing the basis set 6-31+G(d). The vertical excitation energies for these complexes have been also computed using the time-dependent density functional theory. The three stable conformational isomers, each for Isatin-(Water)_1 and Isatin-(Water)_2 clusters were obtained. It is shown that in the most stable isomer of Isatin-(Water)_1 cluster hydrogen bond between amide hydrogen and oxygen of water is found stronger as compared to the H-bond in Indole-(Water)_1 cluster. For a particular position of complexation of water, between the carbonyl oxygen's, results an unusual increase in the dipole moment due to an electronic charge displacement from the N atom to the C atom of the neighboring carbonyl bond. This causes a large separation between the effective charges forming the dipole. The complexes involving this position of water are expected to show a small charge transfer character. The experimentally observed electronic absorption peaks are reasonably reproduced by the TD-DFT calculations and it is found that the longest wavelength absorption peak of isatin at 406 nm is significantly red shifted after addition of a water molecule.

Microwave absorption in powders of small conducting particles for heating applications.

PubMed

Porch, Adrian; Slocombe, Daniel; Edwards, Peter P

2013-02-28

In microwave chemistry there is a common misconception that small, highly conducting particles heat profusely when placed in a large microwave electric field. However, this is not the case; with the simple physical explanation that the electric field (which drives the heating) within a highly conducting particle is highly screened. Instead, it is the magnetic absorption associated with induction that accounts for the large experimental heating rates observed for small metal particles. We present simple principles for the effective heating of particles in microwave fields from calculations of electric and magnetic dipole absorptions for a range of practical values of particle size and conductivity. For highly conducting particles, magnetic absorption dominates electric absorption over a wide range of particle radii, with an optimum absorption set by the ratio of mean particle radius a to the skin depth δ (specifically, by the condition a = 2.41δ). This means that for particles of any conductivity, optimized magnetic absorption (and hence microwave heating by magnetic induction) can be achieved by simple selection of the mean particle size. For weakly conducting samples, electric dipole absorption dominates, and is maximized when the conductivity is approximately σ ≈ 3ωε(0) ≈ 0.4 S m(-1), independent of particle radius. Therefore, although electric dipole heating can be as effective as magnetic dipole heating for a powder sample of the same volume, it is harder to obtain optimized conditions at a fixed frequency of microwave field. The absorption of sub-micron particles is ineffective in both magnetic and electric fields. However, if the particles are magnetic, with a lossy part to their complex permeability, then magnetic dipole losses are dramatically enhanced compared to their values for non-magnetic particles. An interesting application of this is the use of very small magnetic particles for the selective microwave heating of biological samples.

A differential dielectric spectroscopy setup to measure the electric dipole moment and net charge of colloidal quantum dots.

PubMed

Kortschot, R J; Bakelaar, I A; Erné, B H; Kuipers, B W M

2014-03-01

A sensitive dielectric spectroscopy setup is built to measure the response of nanoparticles dispersed in a liquid to an alternating electric field over a frequency range from 10(-2) to 10(7) Hz. The measured complex permittivity spectrum records both the rotational dynamics due to a permanent electric dipole moment and the translational dynamics due to net charges. The setup consists of a half-transparent capacitor connected in a bridge circuit, which is balanced on pure solvent only, using a software-controlled compensating voltage. In this way, the measured signal is dominated by the contributions of the nanoparticles rather than by the solvent. We demonstrate the performance of the setup with measurements on a dispersion of colloidal CdSe quantum dots in the apolar liquid decalin.

Chaotropic salts: novel modifiers for the capillary electrophoretic analysis of benzodiazepines.

PubMed

Su, Hsiu-Li; Lan, Min-Tsu; Lin, Kuan-Wen; Hsieh, You-Zung

2008-08-01

This paper describes a CE method for analyzing benzodiazepines using the chaotropic salts lithium trifluoromethanesulfonate (LiOTf), lithium hexafluorophosphate (LiPF(6)), and lithium bis(trifluoromethanesulfonyl)imide (LiNTf(2)) as modifiers in the running buffer. Although adequate resolution of seven benzodiazepine analytes occurred under the influence of each of the chaotropic anions, the separation efficiency was highest when bis(trifluoromethanesulfonyl)imide (Tf(2)N(-)) was the modifier. We applied affinity CE in conjunction with linear analysis to determine the association constants for the formation of complexes between the Tf(2)N(-) anion and the benzodiazepines. According to the estimated Gibbs free energies, the interactions between this chaotropic anion and the benzodiazepines were either ion-dipole or ion-induced dipole interactions. Adding chaotropic salts as modifiers into CE buffers is a simple and reproducible technique for separating benzodiazepines.

In-situ Measurements of the Direction of Propagation of Pump Waves

NASA Astrophysics Data System (ADS)

James, H. G.; Bernhardt, P. A.; Leyser, T.; Siefring, C. L.

2017-12-01

In the course of an experiment to modify the ionosphere, the direction of pump wave propagation is affected by density gradients in the horizontal and vertical directions, fundamentally affecting wave-energy transport. Horizontal gradients on various scales may await a modification attempt as a preexisting state of the ionosphere and/or be changed by the deposition of heater radio-frequency energy. In the results from the Radio Receiver Instrument (RRI) in the enhanced Polar Outflow Probe (e-POP), we have recorded on the order of 100 flights over ionospheric heaters revealing a variety of processes that high-frequency pump waves experience in the ionosphere. E-POP flies on the Canadian satellite CASSIOPE in an elliptic (320 x 1400 km), highly-inclined (81°) orbit. High frequency measurements have been/are being made near SPEAR, HAARP, Sura, EISCAT Heating and Arecibo. Electromagnetic waves from ground-based heaters are detected by the two, orthogonal, 6-m dipoles on the RRI. The high input impedance of the RRI means that the dipoles act as voltage probes, from which the electric field of incoming waves can be simply computed. When combined with cold-magnetoplasma electric-field theory, the relationship of voltages on the two orthogonal dipoles is used to deduce the direction of arrival of an incoming wave in three dimensions. We illustrate the technique by its application to analysis of signals from different transmitters. These results show a variety of pump-wave propagation directions, indicating the complexity of density structure within which modification might take place. Such complexity illustrates the importance of three-dimensional models of density in the vicinity of modification.

65-nm full-chip implementation using double dipole lithography

NASA Astrophysics Data System (ADS)

Hsu, Stephen D.; Chen, J. Fung; Cororan, Noel; Knose, William T.; Van Den Broeke, Douglas J.; Laidig, Thomas L.; Wampler, Kurt E.; Shi, Xuelong; Hsu, Michael; Eurlings, Mark; Finders, Jo; Chiou, Tsann-Bim; Socha, Robert J.; Conley, Will; Hsieh, Yen W.; Tuan, Steve; Hsieh, Frank

2003-06-01

Double Dipole Lithography (DDL) has been demonstrated to be capable of patterning complex 2D patterns. Due to inherently high aerial imaging contrast, especially for dense features, we have found that it has a very good potential to meet manufacturing requirements for the 65nm node using ArF binary chrome masks. For patterning in the k1<0.35 regime without resorting to hard phase-shift masks (PSMs), DDL is one unique Resolution Enhancement Technique (RET) which can achieve an acceptable process window. To utilize DDL for printing actual IC devices, the original design data must be decomposed into "vertical (V)" and "horizontal (H)" masks for the respective X- and Y-dipole exposures. An improved two-pass, model-based, DDL mask data processing methodology has been established. It is capable of simultaneously converting complex logic and memory mask patterns into DDL compatible mask layout. To maximize the overlapped process window area, we have previously shown that the pattern-shielding algorithm must be intelligently applied together with both Scattering Bars (SBs) and model-based OPC (MOPC). Due to double exposures, stray light must be well-controlled to ensure uniform printing across the entire chip. One solution to minimize stray light is to apply large patches of solid chrome in open areas to reduce the background transmission during exposure. Unfortunately, this is not feasible for a typical clear-field poly gate masks to be patterned by a positive resist process. In this work, we report a production-worthy DDL mask pattern decomposition scheme for full-chip application. A new generation of DDL technology reticle set has been developed to verify the printing performance. Shielding is a critical part of the DDL. An innovative shielding scheme has been developed to protect the critical features and minimize the impact of stray light during double exposure.

Dipole oscillator strengths, dipole properties and dispersion energies for SiF4

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Kumar, Mukesh; Meath, William J.

2003-01-01

A recommended isotropic dipole oscillator strength distribution (DOSD) has been constructed for the silicon tetrafluoride (SiF4) molecule through the use of quantum mechanical constraint techniques and experimental dipole oscillator strength data. The constraints are furnished by experimental molar refractivity data and the Thomas-Reiche-Kuhn sum rule. The DOSD is used to evaluate a variety of isotropic dipole oscillator strength sums, logarithmic dipole oscillator strength sums and mean excitation energies for the molecule. A pseudo-DOSD for SiF4 is also presented which is used to obtain reliable results for the isotropic dipole-dipole dispersion energy coefficients C6, for the interaction of SiF4 with itself and with 43 other species and the triple-dipole dispersion energy coefficient C9 for (SiF4)3.

Absorption spectrometric study of charge transfer complex formation between 4-acetamidophenol (paracetamol) and a series of quinones including Vitamin K 3

NASA Astrophysics Data System (ADS)

Saha, Avijit; Mukherjee, Asok K.

2004-07-01

The formation of charge transfer (CT) complexes of 4-acetamidophenol (commonly called 'paracetamol') and a series of quinones (including Vitamin K 3) has been studied spectrophotometrically in ethanol medium. The vertical ionisation potential of paracetamol and the degrees of charge transfer of the complexes in their ground state has been estimated from the trends in the charge transfer bands. The oscillator and transition dipole strengths of the complexes have been determined from the CT absorption spectra at 298 K. The complexes have been found by Job's method of continuous variation to have the uncommon 2:1 (paracetamol:quinone) stoichiometry in each case. The enthalpies and entropies of formation of the complexes have been obtained by determining their formation constants at five different temperatures.

Analysis of magnetic-dipole transitions in tungsten plasmas using detailed and configuration-average descriptions

NASA Astrophysics Data System (ADS)

Na, Xieyu; Poirier, Michel

2017-06-01

This paper is devoted to the analysis of transition arrays of magnetic-dipole (M1) type in highly charged ions. Such transitions play a significant role in highly ionized plasmas, for instance in the tungsten plasma present in tokamak devices. Using formulas recently published and their implementation in the Flexible Atomic Code for M1-transition array shifts and widths, absorption and emission spectra arising from transitions inside the 3*n complex of highly-charged tungsten ions are analyzed. A comparison of magnetic-dipole transitions with electric-dipole (E1) transitions shows that, while the latter are better described by transition array formulas, M1 absorption and emission structures reveal some insufficiency of these formulas. It is demonstrated that the detailed spectra account for significantly richer structures than those predicted by the transition array formalism. This is due to the fact that M1 transitions may occur between levels inside the same relativistic configuration, while such inner configuration transitions are not accounted for by the currently available averaging expression. In addition, because of configuration interaction, transition processes involving more than one electron jump, such as 3p1/23d5/2 → 3p3/23d3/2, are possible but not accounted for in the transition array formulas. These missing transitions are collected in pseudo-arrays using a post-processing method described in this paper. The relative influence of inner- and inter-configuration transitions is carefully analyzed in cases of tungsten ions with net charge around 50. The need for an additional theoretical development is emphasized.

Seismic equivalents of volcanic jet scaling laws and multipoles in acoustics

NASA Astrophysics Data System (ADS)

Haney, Matthew M.; Matoza, Robin S.; Fee, David; Aldridge, David F.

2018-04-01

We establish analogies between equivalent source theory in seismology (moment-tensor and single-force sources) and acoustics (monopoles, dipoles and quadrupoles) in the context of volcanic eruption signals. Although infrasound (acoustic waves < 20 Hz) from volcanic eruptions may be more complex than a simple monopole, dipole or quadrupole assumption, these elementary acoustic sources are a logical place to begin exploring relations with seismic sources. By considering the radiated power of a harmonic force source at the surface of an elastic half-space, we show that a volcanic jet or plume modelled as a seismic force has similar scaling with respect to eruption parameters (e.g. exit velocity and vent area) as an acoustic dipole. We support this by demonstrating, from first principles, a fundamental relationship that ties together explosion, torque and force sources in seismology and highlights the underlying dipole nature of seismic forces. This forges a connection between the multipole expansion of equivalent sources in acoustics and the use of forces and moments as equivalent sources in seismology. We further show that volcanic infrasound monopole and quadrupole sources exhibit scalings similar to seismicity radiated by volume injection and moment sources, respectively. We describe a scaling theory for seismic tremor during volcanic eruptions that agrees with observations showing a linear relation between radiated power of tremor and eruption rate. Volcanic tremor over the first 17 hr of the 2016 eruption at Pavlof Volcano, Alaska, obeyed the linear relation. Subsequent tremor during the main phase of the eruption did not obey the linear relation and demonstrates that volcanic eruption tremor can exhibit other scalings even during the same eruption.

Study of Complex Plasmas with Magnetic Dipoles

DTIC Science & Technology

2017-10-10

variety of collective behavior manifested in a plasma, especially oscillations or waves characterized by high frequency accompanied by the motion of...behavior manifested in a plasma, especially oscillations or waves characterized by high frequency accompanied by the motion of electrons and/or ions...particles characterized by extremely low frequency modes and the collection of plasma particles characterized by high frequency modes. The interaction of

Gas-Phase Chemistry of Trimethyl Phosphite,

DTIC Science & Technology

keywords include: Flowing afterglow; Trimethyl phosphite ; Reaction mechanisms; Phosphorous ; and Nucleophilic displacement....The reactions of trimethyl phosphite were investigated with a series of nucleophiles. Products, branching ratios, and reaction rate constants are...of methoxide to form a new ion-dipole complex (CH3O-(CH3O)2PZ). If an additional acidic hydrogen is available on the nucleophile, the major products

Theoretical treatment of the processes involving the dipole transitions to the lowest exciton states in hexagonal semiconductors

NASA Astrophysics Data System (ADS)

Semenova, L. E.

2018-04-01

The treatment of the two-photon transitions to the An=1 exciton level and the resonant Raman scattering of light by LO-phonons is given for the hexagonal semiconductors A2B6, taking into account the influence of the complex top valence band and anisotropy of the exciton effective mass.

3D resistivity survey for shallow subsurface fault investigations

NASA Astrophysics Data System (ADS)

Petrit, Kraipat; Klamthim, Poonnapa; Duerrast, Helmut

2018-03-01

The shallow subsurface is subject to various human activities, and the place of occurrence of geohazards, e.g. shallow active faults. The identification of the location and orientation of such faults can be vital for infrastructure development. The aim of this study was to develop a low-cost 3D resistivity survey system, with reasonable survey time for shallow fault investigations. The study area in Songkhla Province, Thailand is located in an old quarry where faults could be identified in outcrops. The study area was designed to cover the expected fault with 100 electrodes arranged in a 10×10 square grid with an electrode spacing of 3 meters in x and y axis. Each electrode in turn was used as a current and potential electrode using a dipole-dipole array. Field data have been processed and interpreted using 3DResINV. Results, presented in horizontal depth slices and vertical xz- and yz-cross sections, revealed through differences in resistivity down to 8 m depths a complex structural setting with two shallow faults and dipping sedimentary rock layers. In conclusion, this study has shown that a 3D resistivity survey can imagine complex tectonic structures, thus providing a far more insight into the shallow subsurface.

How quantum entanglement in DNA synchronizes double-strand breakage by type II restriction endonucleases.

PubMed

Kurian, P; Dunston, G; Lindesay, J

2016-02-21

Macroscopic quantum effects in living systems have been studied widely in pursuit of fundamental explanations for biological energy transport and sensing. While it is known that type II endonucleases, the largest class of restriction enzymes, induce DNA double-strand breaks by attacking phosphodiester bonds, the mechanism by which simultaneous cutting is coordinated between the catalytic centers remains unclear. We propose a quantum mechanical model for collective electronic behavior in the DNA helix, where dipole-dipole oscillations are quantized through boundary conditions imposed by the enzyme. Zero-point modes of coherent oscillations would provide the energy required for double-strand breakage. Such quanta may be preserved in the presence of thermal noise by the enzyme's displacement of water surrounding the DNA recognition sequence. The enzyme thus serves as a decoherence shield. Palindromic mirror symmetry of the enzyme-DNA complex should conserve parity, because symmetric bond-breaking ceases when the symmetry of the complex is violated or when physiological parameters are perturbed from optima. Persistent correlations in DNA across longer spatial separations-a possible signature of quantum entanglement-may be explained by such a mechanism. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effects of protein-pheromone complexation on correlated chemical shift modulations.

PubMed

Perazzolo, Chiara; Wist, Julien; Loth, Karine; Poggi, Luisa; Homans, Steve; Bodenhausen, Geoffrey

2005-12-01

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).

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

NASA Astrophysics Data System (ADS)

Karsten, Sven; Bokarev, Sergey I.; Aziz, Saadullah G.; Ivanov, Sergei D.; Kühn, Oliver

2017-06-01

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

Exploiting the flexibility and the polarization of ferroelectric perovskite surfaces to achieve efficient photochemistry and enantiospecificity

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

Rappe, Andrew

This research project explored the catalytic properties of complex surfaces of functional materials. The PI used first-principles density functional theory (DFT) calculations to explore a tightly integrated set of properties. The physical properties of complex functional materials that influence surface chemistry were explored, including bulk and surface electric dipoles, and surface conductivity. The energetic, compositional, electronic, and chemical properties of the surfaces of these materials were explored in detail, and connections between material properties and chemical reactivity were established. This project led to 28 publications, including Nat. Comm., JACS, 3 PRL, 7 PRB, 2 ACS Nano, 2 Nano Lett., 4more » JPCL, 2 JCP, Chem. Mater., ACS Appl. Mater. Interfaces, Phys. Rev. Appl., and a U.S. Patent on surface catalysts. The key accomplishments in this project involved work in six coordinated areas: pioneering ways to control bulk dipoles in order to dynamically affect catalysis, exploring novel ways of bringing charge to the surface for redox catalysis, nonstoichiometric surfaces offering new sites for heterogeneous catalysis, illustrating how surface catalysis responds to applied pressure, catalytic growth of carbon-based materials, and new computational methods allowing more accurate exploration of molecule-surface interactions« less

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

PubMed

Karsten, Sven; Bokarev, Sergey I; Aziz, Saadullah G; Ivanov, Sergei D; Kühn, Oliver

2017-06-14

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

How quantum entanglement in DNA synchronizes double-strand breakage by type II restriction endonucleases

PubMed Central

Kurian, P.; Dunston, G.; Lindesay, J.

2015-01-01

Macroscopic quantum effects in living systems have been studied widely in pursuit of fundamental explanations for biological energy transport and sensing. While it is known that type II endonucleases, the largest class of restriction enzymes, induce DNA double-strand breaks by attacking phosphodiester bonds, the mechanism by which simultaneous cutting is coordinated between the catalytic centers remains unclear. We propose a quantum mechanical model for collective electronic behavior in the DNA helix, where dipole-dipole oscillations are quantized through boundary conditions imposed by the enzyme. Zero-point modes of coherent oscillations would provide the energy required for double-strand breakage. Such quanta may be preserved in the presence of thermal noise by the enzyme’s displacement of water surrounding the DNA recognition sequence. The enzyme thus serves as a decoherence shield. Palindromic mirror symmetry of the enzyme-DNA complex should conserve parity, because symmetric bond-breaking ceases when the symmetry of the complex is violated or when physiological parameters are perturbed from optima. Persistent correlations in DNA across longer spatial separations—a possible signature of quantum entanglement—may be explained by such a mechanism. PMID:26682627

Media and education of the consumer.

PubMed

Shapiro, Marla

2016-08-01

The landscape has changed in how consumers get their health information. A shift to the Internet and social media are now the way many consumers obtain their health and medical information. In addition, the highly complex information in medicine and science separates health journalism from other forms of journalism. In this article, the question of the role of media in educating consumers is examined. It is clear that knowledge translation is complex and begs the cooperation of scientists and journalists alike.

Constraints on exotic dipole-dipole couplings between electrons at the micron scale

NASA Astrophysics Data System (ADS)

Kotler, Shlomi; Ozeri, Roee; Jackson Kimball, Derek

2015-05-01

Until recently, the magnetic dipole-dipole coupling between electrons had not been directly observed experimentally. This is because at the atomic scale dipole-dipole coupling is dominated by the exchange interaction and at larger distances the dipole-dipole coupling is overwhelmed by ambient magnetic field noise. In spite of these challenges, the magnetic dipole-dipole interaction between two electron spins separated by 2.4 microns was recently measured using the valence electrons of trapped Strontium ions [S. Kotler, N. Akerman, N. Navon, Y. Glickman, and R. Ozeri, Nature 510, 376 (2014)]. We have used this measurement to directly constrain exotic dipole-dipole interactions between electrons at the micron scale. For light bosons (mass 0.1 eV), we find that coupling constants describing pseudoscalar and axial-vector mediated interactions must be | gPegPe/4 πℏc | <= 1 . 5 × 10-3 and | gAegAe/4 πℏc | <= 1 . 2 × 10-17 , respectively, at the 90% confidence level. These bounds significantly improve on previous constraints in this mass range: for example, the constraints on axial-vector interactions are six orders of magnitude stronger than electron-positron constraints based on positronium spectroscopy. Supported by the National Science Foundation, I-Core: the Israeli excellence center, and the European Research Council.

Dielectric properties of proteins from simulations: tools and techniques

NASA Astrophysics Data System (ADS)

Simonson, Thomas; Perahia, David

1995-09-01

Tools and techniques to analyze the dielectric properties of proteins are described. Microscopic dielectric properties are determined by a susceptibility tensor of order 3 n, where n is the number of protein atoms. For perturbing charges not too close to the protein, the dielectric relaxation free energy is directly related to the dipole-dipole correlation matrix of the unperturbed protein, or equivalently to the covariance matrix of its atomic displacements. These are straightforward to obtain from existing molecular dynamics packages such as CHARMM or X- PLOR. Macroscopic dielectric properties can be derived from the dipolar fluctuations of the protein, by idealizing the protein as one or more spherical media. The dipolar fluctuations are again directly related to the covariance matrix of the atomic displacements. An interesting consequence is that the quasiharmonic approximation, which by definition exactly reproduces this covariance matrix, gives the protein dielectric constant exactly. Finally a technique is reviewed to obtain normal or quasinormal modes of vibration of symmetric protein assemblies. Using elementary group theory, and eliminating the high-frequency modes of vibration of each monomer, the limiting step in terms of memory and computation is finding the normal modes of a single monomer, with the other monomers held fixed. This technique was used to study the dielectric properties of the Tobacco Mosaic Virus protein disk.

Long-range wetting transparency on top of layered metal-dielectric substrates

NASA Astrophysics Data System (ADS)

Noginov, M. A.; Barnakov, Yuri A.; Liberman, Vladimir; Prayakarao, Srujana; Bonner, Carl E.; Narimanov, Evgenii E.

2016-06-01

It has been recently shown that scores of physical and chemical phenomena (including spontaneous emission, scattering and Förster energy transfer) can be controlled by nonlocal dielectric environments provided by metamaterials with hyperbolic dispersion and simpler metal/dielectric structures. At this time, we have researched van der Waals interactions and experimentally studied wetting of several metallic, dielectric and composite multilayered substrates. We have found that the wetting angle of water on top of MgF2 is highly sensitive to the thickness of the MgF2 layer and the nature of the underlying substrate that could be positioned as far as ~100 nm beneath the water/MgF2 interface. We refer to this phenomenon as long range wetting transparency. The latter effect cannot be described in terms of the most basic model of dispersion van der Waals-London forces based on pair-wise summation of dipole-dipole interactions across an interface or a gap separating the two media. We infer that the experimentally observed gradual change of the wetting angle with increase of the thickness of the MgF2 layer can possibly be explained by the distance dependence of the Hamaker function (describing the strength of interaction), which originates from retardation of electromagnetic waves at the distances comparable to a wavelength.

Long-range wetting transparency on top of layered metal-dielectric substrates.

PubMed

Noginov, M A; Barnakov, Yuri A; Liberman, Vladimir; Prayakarao, Srujana; Bonner, Carl E; Narimanov, Evgenii E

2016-06-21

It has been recently shown that scores of physical and chemical phenomena (including spontaneous emission, scattering and Förster energy transfer) can be controlled by nonlocal dielectric environments provided by metamaterials with hyperbolic dispersion and simpler metal/dielectric structures. At this time, we have researched van der Waals interactions and experimentally studied wetting of several metallic, dielectric and composite multilayered substrates. We have found that the wetting angle of water on top of MgF2 is highly sensitive to the thickness of the MgF2 layer and the nature of the underlying substrate that could be positioned as far as ~100 nm beneath the water/MgF2 interface. We refer to this phenomenon as long range wetting transparency. The latter effect cannot be described in terms of the most basic model of dispersion van der Waals-London forces based on pair-wise summation of dipole-dipole interactions across an interface or a gap separating the two media. We infer that the experimentally observed gradual change of the wetting angle with increase of the thickness of the MgF2 layer can possibly be explained by the distance dependence of the Hamaker function (describing the strength of interaction), which originates from retardation of electromagnetic waves at the distances comparable to a wavelength.

Long-range wetting transparency on top of layered metal-dielectric substrates

PubMed Central

Noginov, M. A.; Barnakov, Yuri A.; Liberman, Vladimir; Prayakarao, Srujana; Bonner, Carl E.; Narimanov, Evgenii E.

2016-01-01

It has been recently shown that scores of physical and chemical phenomena (including spontaneous emission, scattering and Förster energy transfer) can be controlled by nonlocal dielectric environments provided by metamaterials with hyperbolic dispersion and simpler metal/dielectric structures. At this time, we have researched van der Waals interactions and experimentally studied wetting of several metallic, dielectric and composite multilayered substrates. We have found that the wetting angle of water on top of MgF2 is highly sensitive to the thickness of the MgF2 layer and the nature of the underlying substrate that could be positioned as far as ~100 nm beneath the water/MgF2 interface. We refer to this phenomenon as long range wetting transparency. The latter effect cannot be described in terms of the most basic model of dispersion van der Waals-London forces based on pair-wise summation of dipole-dipole interactions across an interface or a gap separating the two media. We infer that the experimentally observed gradual change of the wetting angle with increase of the thickness of the MgF2 layer can possibly be explained by the distance dependence of the Hamaker function (describing the strength of interaction), which originates from retardation of electromagnetic waves at the distances comparable to a wavelength. PMID:27324650

Multiple-decker phthalocyaninato dinuclear lanthanoid(III) single-molecule magnets with dual-magnetic relaxation processes.

PubMed

Katoh, Keiichi; Horii, Yoji; Yasuda, Nobuhiro; Wernsdorfer, Wolfgang; Toriumi, Koshiro; Breedlove, Brian K; Yamashita, Masahiro

2012-11-28

The SMM behaviour of dinuclear Ln(III)-Pc multiple-decker complexes (Ln = Tb(3+) and Dy(3+)) with energy barriers and slow-relaxation behaviour were explained by using X-ray crystallography and static and dynamic susceptibility measurements. In particular, interactions among the 4f electrons of several dinuclear Ln(III)-Pc type SMMs have never been discussed on the basis of the crystal structure. For dinuclear Tb(III)-Pc complexes, a dual magnetic relaxation process was observed. The relaxation processes are due to the anisotropic centres. Our results clearly show that the two Tb(3+) ion sites are equivalent and are consistent with the crystal structure. On the other hand, the mononuclear Tb(III)-Pc complex exhibited only a single magnetic relaxation process. This is clear evidence that the magnetic relaxation mechanism depends heavily on the dipole-dipole (f-f) interactions between the Tb(3+) ions in the dinuclear systems. Furthermore, the SMM behaviour of dinuclear Dy(III)-Pc type SMMs with smaller energy barriers compared with that of Tb(III)-Pc and slow-relaxation behaviour was explained. Dinuclear Dy(III)-Pc SMMs exhibited single-component magnetic relaxation behaviour. The results indicate that the magnetic relaxation properties of dinuclear Ln(III)-Pc multiple-decker complexes are affected by the local molecular symmetry and are extremely sensitive to tiny distortions in the coordination geometry. In other words, the spatial arrangement of the Ln(3+) ions (f-f interactions) in the crystal is important. Our work shows that the SMM properties can be fine-tuned by introducing weak intermolecular magnetic interactions in a controlled SMM spatial arrangement.

Recipes for Success: Independent Schools Break the Mold When It Comes to Social Media

ERIC Educational Resources Information Center

Stoner, Michael

2010-01-01

Most communicators are not giving up print or other traditional media. But they recognize that social media has quickly become an important channel for the audiences they want to reach. Social media adds texture and complexity to the marketing mix. To take advantage of social media, it pays to be nimble. Independent schools' communicators…

Data Mining in Social Media

NASA Astrophysics Data System (ADS)

Barbier, Geoffrey; Liu, Huan

The rise of online social media is providing a wealth of social network data. Data mining techniques provide researchers and practitioners the tools needed to analyze large, complex, and frequently changing social media data. This chapter introduces the basics of data mining, reviews social media, discusses how to mine social media data, and highlights some illustrative examples with an emphasis on social networking sites and blogs.

Social media and social work education: understanding and dealing with the new digital world.

PubMed

Fang, Lin; Mishna, Faye; Zhang, Vivian F; Van Wert, Melissa; Bogo, Marion

2014-10-01

Accompanying the multiple benefits and innovations of social media are the complex ethical and pedagogical issues that challenge social work educators. Without a clear understanding of the blurred boundaries between public and private, the potentially limitless and unintended audiences, as well as the permanency of the information shared online, social work students who use social media can find themselves in difficult situations in their personal and professional lives. In this article, we present three scenarios that illustrate issues and complexities involving social media use by social work students, followed by a discussion and recommendations for social work educators.

Ideal Magnetic Dipole Scattering

NASA Astrophysics Data System (ADS)

Feng, Tianhua; Xu, Yi; Zhang, Wei; Miroshnichenko, Andrey E.

2017-04-01

We introduce the concept of tunable ideal magnetic dipole scattering, where a nonmagnetic nanoparticle scatters light as a pure magnetic dipole. High refractive index subwavelength nanoparticles usually support both electric and magnetic dipole responses. Thus, to achieve ideal magnetic dipole scattering one has to suppress the electric dipole response. Such a possibility was recently demonstrated for the so-called anapole mode, which is associated with zero electric dipole scattering. By spectrally overlapping the magnetic dipole resonance with the anapole mode, we achieve ideal magnetic dipole scattering in the far field with tunable strong scattering resonances in the near infrared spectrum. We demonstrate that such a condition can be realized at least for two subwavelength geometries. One of them is a core-shell nanosphere consisting of a Au core and silicon shell. It can be also achieved in other geometries, including nanodisks, which are compatible with current nanofabrication technology.

Prospects of molybdenum and rhenium octahedral cluster complexes as X-ray contrast agents.

PubMed

Krasilnikova, Anna A; Shestopalov, Michael A; Brylev, Konstantin A; Kirilova, Irina A; Khripko, Olga P; Zubareva, Kristina E; Khripko, Yuri I; Podorognaya, Valentina T; Shestopalova, Lidiya V; Fedorov, Vladimir E; Mironov, Yuri V

2015-03-01

Investigation of new X-ray contrast media for radiography is an important field of science since discovering of X-rays in 1895. Despite the wide diversity of available X-ray contrast media the toxicity, especially nephrotoxicity, is still a big problem to be solved. The octahedral metal-cluster complexes of the general formula [{M6Q8}L6] can be considered as quite promising candidates for the role of new radiocontrast media due to the high local concentration of heavy elements, high tuning ability of ligand environment and low toxicity. To exemplify this, the X-ray computed tomography experiments for the first time were carried out on some octahedral cluster complexes of molybdenum and rhenium. Based on the obtained data it was proposed to investigate the toxicological proprieties of cluster complex Na2H8[{Re6Se8}(P(CH2CH2CONH2)(CH2CH2COO)2)6]. Observed low cytotoxic and acute toxic effects along with rapid renal excretion of the cluster complex evidence its perspective as an X-ray contrast media for radiography. Copyright © 2014 Elsevier Inc. All rights reserved.

Energy flow of electric dipole radiation in between parallel mirrors

NASA Astrophysics Data System (ADS)

Xu, Zhangjin; Arnoldus, Henk F.

2017-11-01

We have studied the energy flow patterns of the radiation emitted by an electric dipole located in between parallel mirrors. It appears that the field lines of the Poynting vector (the flow lines of energy) can have very intricate structures, including many singularities and vortices. The flow line patterns depend on the distance between the mirrors, the distance of the dipole to one of the mirrors and the angle of oscillation of the dipole moment with respect to the normal of the mirror surfaces. Already for the simplest case of a dipole moment oscillating perpendicular to the mirrors, singularities appear at regular intervals along the direction of propagation (parallel to the mirrors). For a parallel dipole, vortices appear in the neighbourhood of the dipole. For a dipole oscillating under a finite angle with the surface normal, the radiating tends to swirl around the dipole before travelling off parallel to the mirrors. For relatively large mirror separations, vortices appear in the pattern. When the dipole is off-centred with respect to the midway point between the mirrors, the flow line structure becomes even more complicated, with numerous vortices in the pattern, and tiny loops near the dipole. We have also investigated the locations of the vortices and singularities, and these can be found without any specific knowledge about the flow lines. This provides an independent means of studying the propagation of dipole radiation between mirrors.

Magnetic Field of a Dipole and the Dipole-Dipole Interaction

ERIC Educational Resources Information Center

Kraftmakher, Yaakov

2007-01-01

With a data-acquisition system and sensors commercially available, it is easy to determine magnetic fields produced by permanent magnets and to study the dipole-dipole interaction for different separations and angular positions of the magnets. For sufficiently large distances, the results confirm the 1/R[superscript 3] law for the magnetic field…

Geometrical Simplification of the Dipole-Dipole Interaction Formula

ERIC Educational Resources Information Center

Kocbach, Ladislav; Lubbad, Suhail

2010-01-01

Many students meet dipole-dipole potential energy quite early on when they are taught electrostatics or magnetostatics and it is also a very popular formula, featured in encyclopedias. We show that by a simple rewriting of the formula it becomes apparent that, for example, by reorienting the two dipoles, their attraction can become exactly twice…

Measuring the Forces between Magnetic Dipoles

ERIC Educational Resources Information Center

Gayetsky, Lisa E.; Caylor, Craig L.

2007-01-01

We describe a simple undergraduate lab in which students determine how the force between two magnetic dipoles depends on their separation. We consider the case where both dipoles are permanent and the case where one of the dipoles is induced by the field of the other (permanent) dipole. Agreement with theoretically expected results is quite good.

The long-range non-additive three-body dispersion interactions for the rare gases, alkali, and alkaline-earth atoms

NASA Astrophysics Data System (ADS)

Tang, Li-Yan; Yan, Zong-Chao; Shi, Ting-Yun; Babb, James F.; Mitroy, J.

2012-03-01

The long-range non-additive three-body dispersion interaction coefficients Z111, Z112, Z113, and Z122 are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z111 arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z112, Z113, and Z122 arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole-quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.

Effect of intermolecular dipole-dipole interactions on interfacial supramolecular structures of C3-symmetric hexa-peri-hexabenzocoronene derivatives.

PubMed

Mu, Zhongcheng; Shao, Qi; Ye, Jun; Zeng, Zebing; Zhao, Yang; Hng, Huey Hoon; Boey, Freddy Yin Chiang; Wu, Jishan; Chen, Xiaodong

2011-02-15

Two-dimensional (2D) supramolecular assemblies of a series of novel C(3)-symmetric hexa-peri-hexabenzocoronene (HBC) derivatives bearing different substituents adsorbed on highly oriented pyrolytic graphite were studied by using scanning tunneling microscopy at a solid-liquid interface. It was found that the intermolecular dipole-dipole interactions play a critical role in controlling the interfacial supramolecular assembly of these C(3)-symmetric HBC derivatives at the solid-liquid interface. The HBC molecule bearing three -CF(3) groups could form 2D honeycomb structures because of antiparallel dipole-dipole interactions, whereas HBC molecules bearing three -CN or -NO(2) groups could form hexagonal superstructures because of a special trimeric arrangement induced by dipole-dipole interactions and weak hydrogen bonding interactions ([C-H···NC-] or [C-H···O(2)N-]). Molecular mechanics and dynamics simulations were performed to reveal the physics behind the 2D structures as well as detailed functional group interactions. This work provides an example of how intermolecular dipole-dipole interactions could enable fine control over the self-assembly of disklike π-conjugated molecules.

Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation.

PubMed

List, Nanna Holmgaard; Kauczor, Joanna; Saue, Trond; Jensen, Hans Jørgen Aagaard; Norman, Patrick

2015-06-28

We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever studying electric-dipole-forbidden transitions, and in general, non-dipolar effects become increasingly important when addressing spectroscopies involving higher-energy photons. These two aspects are examined by our study of the near K-edge X-ray absorption fine structure of the alkaline earth metals (Mg, Ca, Sr, Ba, and Ra) as well as the trans-polyenes. In following the series of alkaline earth metals, the sizes of non-dipolar effects are probed with respect to increasing photon energies and a detailed assessment of results is made in terms of studying the pertinent transition electron densities and in particular their spatial extension in comparison with the photon wavelength. Along the series of trans-polyenes, the sizes of non-dipolar effects are probed for X-ray spectroscopies on organic molecules with respect to the spatial extension of the chromophore.

Speech-evoked brainstem frequency-following responses during verbal transformations due to word repetition.

PubMed

Galbraith, G C; Jhaveri, S P; Kuo, J

1997-01-01

Speech-evoked brainstem frequency-following responses (FFRs) were recorded to repeated presentations of the same stimulus word. Word repetition results in illusory verbal transformations (VTs) in which word perceptions can differ markedly from the actual stimulus. Previous behavioral studies support an explanation of VTs based on changes in arousal or attention. Horizontal and vertical dipole FFRs were recorded to assess responses with putative origins in the auditory nerve and central brainstem, respectively. FFRs were recorded from 18 subjects when they correctly heard the stimulus and when they reported VTs. Although horizontal and vertical dipole FFRs showed different frequency response patterns, dipoles did not differentiate between perceptual conditions. However, when subjects were divided into low- and high-VT groups (based on percentage of VT trials), a significant Condition x Group interaction resulted. This interaction showed the largest difference in FFR amplitudes during VT trials, with the low-VT group showing increased amplitudes, and the high-VT group showing decreased amplitudes, relative to trials in which the stimulus was correctly perceived. These results demonstrate measurable subject differences in the early processing of complex signals, due to possible effects of attention on the brainstem FFR. The present research shows that the FFR is useful in understanding human language as it is coded and processed in the brainstem auditory pathway.

Designing a multicolor long range nanoscopic ruler for the imaging of heterogeneous tumor cells

NASA Astrophysics Data System (ADS)

Chavva, Suhash Reddy; Viraka Nellore, Bhanu Priya; Pramanik, Avijit; Sinha, Sudarson Sekhar; Jones, Stacy; Ray, Paresh Chandra

2016-07-01

Tumor heterogeneity is one of the biggest challenges in cancer treatment and diagnosis. A multicolor optical ruler is essential to address the heterogeneous tumor cell complexity. Driven by this need, the current article reports the design of a multicolor long range nanoscopic ruler for screening tumor heterogeneity by accurately identifying epithelial cells and cancer stem cells (CSCs) simultaneously. A nanoscopic surface energy transfer (NSET) ruler has been developed using blue fluorescence polymer dots (PDs) and red fluorescence gold cluster dots (GCDs) as multicolor fluorescence donor and plasmonic gold nanoparticle (GNP) acts as an excellent acceptor. Reported experimental results demonstrated that the multicolor nanoscopic ruler's working window is above 35 nm distances, which is more than three times farther than that of Förster resonance energy transfer (FRET) distance limit. Theoretical modeling using Förster dipole-dipole coupling and dipole to nanoparticle surface energy transfer have been used to discuss the possible mechanism for multicolor nanoscopic ruler's long-range capability. Using RNA aptamers that are specific for the target cancer cells, experimental data demonstrate that the nanoscopic ruler can be used for screening epithelial and CSCs simultaneously from a whole blood sample with a detection capability of 10 cells per mL. Experimental data show that the nanoscopic ruler can distinguish targeted cells from non-targeted cells.

Foundation integrity assessment using integrated geophysical and geotechnical techniques: case study in crystalline basement complex, southwestern Nigeria

NASA Astrophysics Data System (ADS)

Olayanju, G. M.; Mogaji, K. A.; Lim, H. S.; Ojo, T. S.

2017-06-01

The determination of parameters comprising exact depth to bedrock and its lithological type, lateral changes in lithology, and detection of fractures, cracks, or faults are essential to designing formidable foundations and assessing the integrity of civil engineering structures. In this study, soil and site characterization in a typical hard rock geologic terrain in southwestern Nigeria were carried out employing integrated geophysical and geotechnical techniques to address tragedies in civil engineering infrastructural development. The deployed geophysical measurements involved running both very low frequency electromagnetic (VLF-EM) and electrical resistivity methods (dipole-dipole imaging and vertical electrical sounding (VES) techniques) along the established traverses, while the latter technique entailed conducting geological laboratory sieve analysis and Atterberg limit-index tests upon the collected soil samples in the area. The results of the geophysical measurement, based on the interpreted VLF-EM and dipole-dipole data, revealed conductive zones and linear features interpreted as fractures/faults which endanger the foundations of public infrastructures. The delineation of four distinct geoelectric layers in the area—comprised of topsoil, lateritic/clayey substratum, weathered layer, and bedrock—were based on the VES results. Strong evidence, including high degree of decomposition and fracturing of underlying bedrock revealed by the VES results, confirmed the VLF-EM and dipole-dipole results. Furthermore, values in the range of 74.2%-77.8%, 55%-62.5%, 23.4%-24.5%, 7.7%-8.2%, 19.5%-22.4%, and 31.65%-38.25% were obtained for these geotechnical parameters viz soil percentage passing 0.075 mm sieve size, liquid limit, plasticity index, linear shrinkage, natural moisture content, and plastic limit, respectively, resulting from the geotechnical analysis of the soil samples. The comparatively analyzed geophysical and geotechnical results revealed a high weathering of charnockitic rocks resulting in plastic clay material mapped with a mean resistivity value of 73 Ohm-m, in conformity with the obtained geotechnical parameters, which failed to agree with the standard specification of subsoil foundation materials and which, in turn, can impact negatively on the foundational integrity of infrastructures. Based on these results, the area subsoils’ competence for foundation has been rated poor to low. This study has more widely demonstrated the effective application of integrative geophysical and geotechnical methods in the assessment of subsoil competence.

Dipole oscillator strength properties and dispersion energies for SiH 4

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Kumar, Mukesh; Meath, William J.

2003-01-01

A recommended isotropic dipole oscillator strength distribution (DOSD) has been constructed for the silane (SiH 4) molecule through the use of quantum mechanical constraint techniques and experimental dipole oscillator strength data. The constraints are furnished by experimental molar refractivity data and the Thomas-Reiche-Kuhn sum rule. The DOSD is used to evaluate a variety of isotropic dipole oscillator strength sums, logarithmic dipole oscillator strength sums, and mean excitation energies for the molecule. A pseudo-DOSD for SiH 4 is also presented which is used to obtain reliable results for the isotropic dipole-dipole dispersion energy coefficients C 6, for the interaction of silane with itself and with forty-four other species, and the triple-dipole dispersion energy coefficient C 9 for (SiH 4) 3.

Media Misrepresentations of a Mascot Controversy: Contested Constructions of Race and Gender

ERIC Educational Resources Information Center

Gerstl-Pepin, Cynthia; Liang, Guodong

2010-01-01

This article examines media coverage of a high school Native American mascot controversy. Discourse analysis of media documents and artifacts was utilized to explore how the issue was socially constructed for public consumption. Critical race feminism was used as a framework to examine how media discourses can oversimplify the complex interaction…

Analysis of Art House Media Texts Use during Media Studies in the Student Audience (Alain Robbe-Grillet Movies Case Study)

ERIC Educational Resources Information Center

Fedorov, Alexander

2012-01-01

The study of media culture and virtual world requires knowledge and skills of the analysis of media texts of different levels of complexity. In this sense, the cinematic legacy of the great French writer, screenwriter and filmmaker Alain Robbe-Grillet (1922-2008) gives productive opportunities for the analysis of works of the elite media culture…

Dipole polarizability, sum rules, mean excitation energies, and long-range dispersion coefficients for buckminsterfullerene C 60

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Thakkar, Ajit J.

2011-11-01

Experimental photoabsorption cross-sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and the high-energy behavior of the dipole-oscillator-strength density are used to construct dipole oscillator strength distributions for buckminsterfullerene (C60). The distributions are used to predict dipole sum rules Sk, mean excitation energies Ik, the frequency dependent polarizability, and C6 coefficients for the long-range dipole-dipole interactions of C60 with a variety of atoms and molecules.

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

Dayeh, M. A.; Fuselier, S. A.; Funsten, H. O.

We present remote, continuous observations from the Interstellar Boundary Explorer of the terrestrial plasma sheet location back to -16 Earth radii (R E) in the magnetospheric tail using energetic neutral atom emissions. The time period studied includes two orbits near the winter and summer solstices, thus associated with large negative and positive dipole tilt, respectively. Continuous side-view images reveal a complex shape that is dominated mainly by large-scale warping due to the diurnal motion of the dipole axis. Superposed on the global warped geometry are short-time fluctuations in plasma sheet location that appear to be consistent with plasma sheet flappingmore » and possibly twisting due to changes in the interplanetary conditions. We conclude that the plasma sheet warping due to the diurnal motion dominates the average shape of the plasma sheet. Over short times, the position of the plasma sheet can be dominated by twisting and flapping.« less

Nonradiating anapole modes in dielectric nanoparticles

PubMed Central

Miroshnichenko, Andrey E.; Evlyukhin, Andrey B.; Yu, Ye Feng; Bakker, Reuben M.; Chipouline, Arkadi; Kuznetsov, Arseniy I.; Luk'yanchuk, Boris; Chichkov, Boris N.; Kivshar, Yuri S.

2015-01-01

Nonradiating current configurations attract attention of physicists for many years as possible models of stable atoms. One intriguing example of such a nonradiating source is known as ‘anapole'. An anapole mode can be viewed as a composition of electric and toroidal dipole moments, resulting in destructive interference of the radiation fields due to similarity of their far-field scattering patterns. Here we demonstrate experimentally that dielectric nanoparticles can exhibit a radiationless anapole mode in visible. We achieve the spectral overlap of the toroidal and electric dipole modes through a geometry tuning, and observe a highly pronounced dip in the far-field scattering accompanied by the specific near-field distribution associated with the anapole mode. The anapole physics provides a unique playground for the study of electromagnetic properties of nontrivial excitations of complex fields, reciprocity violation and Aharonov–Bohm like phenomena at optical frequencies. PMID:26311109

Hexadecapolar Colloids

DOE PAGES

Senyuk, Bohdan; Puls, Owen; Tovkach, Oleh M.; ...

2016-02-11

Outermost occupied electron shells of chemical elements can have symmetries resembling that of monopoles, dipoles, quadrupoles and octupoles corresponding to filled s-, p-, d- and forbitals. Theoretically, elements with hexadecapolar outer shells could also exist, but none of the known elements have filled g-orbitals. On the other hand, the research paradigm of ‘colloidal atoms’ displays complexity of particle behaviour exceeding that of atomic counterparts, which is driven by DNA functionalization, geometric shape and topology and weak external stimuli. We describe elastic hexadecapoles formed by polymer microspheres dispersed in a liquid crystal, a nematic fluid of orientationally ordered molecular rods. Becausemore » of conically degenerate boundary conditions, the solid microspheres locally perturb the alignment of the nematic host, inducing hexadecapolar distortions that drive anisotropic colloidal interactions. We uncover physical underpinnings of formation of colloidal elastic hexadecapoles and report the ensuing bonding inaccessible to elastic dipoles, quadrupoles and other nematic colloids studied previously.« less

Palaeointensity determinations and rock magnetic properties on basalts from Shatsky Rise: new evidence for a Mesozoic dipole low

NASA Astrophysics Data System (ADS)

Carvallo, C.; Camps, P.; Ooga, M.; Fanjat, G.; Sager, W. W.

2013-03-01

IODP Expedition 324 cored igneous rocks from Shatsky Rise, an oceanic plateau in the northwest Pacific Ocean that formed mainly during late Jurassic and Early Cretaceous times. We selected 60 samples from 3 different holes for Thellier-Thellier palaeointensity determinations. Induced and remanent magnetization curves measured at low- and high-temperature suggest a diverse and complex magnetic mineralogy, with large variations in Ti content and oxidation state. Hysteresis and FORC measurements show that most samples contain single-domain magnetic grains. After carrying out the palaeointensity determinations, only 9 samples satisfied all reliability criteria. These gave palaeointensity values between 16.5 and 21.5 μT, which correspond to average VDM values of (4.9 ± 0.2) × 1022 Am2 for an estimated age of 140-142 Ma. This value is lower than that for the recent field, which agrees with the hypothesis of a Mesozoic Dipole Low.

Magnetic structure of rare-earth dodecaborides

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

Siemensmeyer, K.; Flachbart, K.; Gabani, S.

2006-09-15

We have investigated the magnetic structure of HoB{sub 12}, ErB{sub 12} and TmB{sub 12} by neutron diffraction on isotopically enriched single-crystalline samples. Results in zero field as well as in magnetic field up to 5T reveal modulated incommensurate magnetic structures in these compounds. The basic reflections can be indexed with q=(1/2+/-{delta}, 1/2+/-{delta}, 1/2+/-{delta}), where {delta}=0.035 both for HoB{sub 12} and TmB{sub 12} and with q=(3/2+/-{delta}, 1/2+/-{delta}, 1/2+/-{delta}), where {delta}=0.035, for ErB{sub 12}. In an applied magnetic field, new phases are observed. The complex magnetic structure of these materials seems to result from the interplay between the RKKY and dipole-dipole interaction.more » The role of frustration due to the fcc symmetry of dodecaborides and the crystalline electric field effect is also considered.« less

Coherence in the presence of absorption and heating in a molecule interferometer

PubMed Central

Cotter, J. P.; Eibenberger, S.; Mairhofer, L.; Cheng, X.; Asenbaum, P.; Arndt, M.; Walter, K.; Nimmrichter, S.; Hornberger, K.

2015-01-01

Matter-wave interferometry can be used to probe the foundations of physics and to enable precise measurements of particle properties and fundamental constants. It relies on beam splitters that coherently divide the wave function. In atom interferometers, such elements are often realised using lasers by exploiting the dipole interaction or through photon absorption. It is intriguing to extend these ideas to complex molecules where the energy of an absorbed photon can rapidly be redistributed across many internal degrees of freedom. Here, we provide evidence that center-of-mass coherence can be maintained even when the internal energy and entropy of the interfering particle are substantially increased by absorption of photons from a standing light wave. Each photon correlates the molecular center-of-mass wave function with its internal temperature and splits it into a superposition with opposite momenta in addition to the beam-splitting action of the optical dipole potential. PMID:26066053

Impact of a CP-violating Higgs sector: from LHC to baryogenesis.

PubMed

Shu, Jing; Zhang, Yue

2013-08-30

We observe a generic connection between LHC Higgs data and electroweak baryogenesis: the particle that contributes to the CP-odd hgg or hγγ vertex would provide the CP-violating source during a first-order phase transition. It is illustrated in the two Higgs doublet model that a common complex phase controls the lightest Higgs properties at the LHC, electric dipole moments, and the CP-violating source for electroweak baryogenesis. We perform a general parametrization of Higgs effective couplings and a global fit to the LHC Higgs data. Current LHC measurements prefer a nonzero phase for tanβ≲1 and electric dipole moment constraints still allow an order-one phase for tanβ∼1, which gives sufficient room to generate the correct cosmic baryon asymmetry. We also give some prospects in the direct measurements of CP violation in the Higgs sector at the LHC.

Transitional paleointensities from Kauai, Hawaii, and geomagnetic reversal models

USGS Publications Warehouse

Bogue, Scott W.; Coe, Robert S.

1984-01-01

Previously presented paleointensity results from an R-N transition zone in Kauai, Hawaii, show that field intensity dropped from 0. 431 Oe to 0. 101 Oe while the field remained within 30 degree of the reversed axial dipole direction. A recovery in intensity and the main directional change followed this presumably short period of low field strength. As the reversal neared completion, the field has an intensity of 0. 217 Oe while still 40 degree from the final direction. The relationship of paleointensity to field direction during the early part of the reversal thus differs from that toward the end, a feature that only some reversal models are consistent with. For example, a model in which a standing nondipole component persists through the dipole reversal predicts only symmetric intensity patterns. In contrast, zonal flooding models generate suitably complex field behavior if multiple flooding schemes operate during a single reversal or if the flooding process is itself asymmetric.

Bioethics and the rituals of media.

PubMed

Simonson, Peter

2002-01-01

Popular media may make short shrift of complex ideas and moral deliberations, but it can also serve bioethics well. Bioethics should embrace the ritual function of the media in bringing issues to public attention and in reinforcing bioethics as a field.

Just Click It: Undergraduate Procedures for the Copper(I)-Catalyzed Formation of 1,2,3-Triazoles from Azides and Terminal Acetylenes

ERIC Educational Resources Information Center

Sharpless, William D.; Peng Wu; Hansen, Trond Vidar; Lindberg, James G.

2005-01-01

The click chemistry uses only the most reliable reactions to build complex molecules from olefins, electrophiles and heteroatom linkers. A variation on Huisgen's azide-alkyne 1,2,3-triazole synthesis, the addition of the copper (I), the premium example of the click reaction, catalyst strongly activates terminal acetylenes towards the 1,3-dipole in…

The kinematic dipole in galaxy redshift surveys

NASA Astrophysics Data System (ADS)

Maartens, Roy; Clarkson, Chris; Chen, Song

2018-01-01

In the concordance model of the Universe, the matter distribution—as observed in galaxy number counts or the intensity of line emission (such as the 21cm line of neutral hydrogen) —should have a kinematic dipole due to the Sun's motion relative to the CMB rest-frame. This dipole should be aligned with the kinematic dipole in the CMB temperature. Accurate measurement of the direction of the matter dipole will become possible with future galaxy surveys, and this will be a critical test of the foundations of the concordance model. The amplitude of the matter dipole is also a potential cosmological probe. We derive formulas for the amplitude of the kinematic dipole in galaxy redshift and intensity mapping surveys, taking into account the Doppler, aberration and other relativistic effects. The amplitude of the matter dipole can be significantly larger than that of the CMB dipole. Its redshift dependence encodes information on the evolution of the Universe and on the tracers, and we discuss possible ways to determine the amplitude.

Critical Dipole Length for the Wetting Transition Due to Collective Water-dipoles Interactions

PubMed Central

Wang, Chunlei; Zhou, Bo; Tu, Yusong; Duan, Manyi; Xiu, Peng; Li, Jingye; Fang, Haiping

2012-01-01

The wetting behavior of water on the solid surfaces is fundamental to various physical, chemical and biological processes. Conventionally, the surface with charges or charge dipoles is hydrophilic, whereas the non-polar surface is hydrophobic though some exceptions were recently reported. Using molecular dynamics simulations, we show that there is a critical length of the charge dipoles on the solid surface. The solid surface still exhibited hydrophobic behavior when the dipole length was less than the critical value, indicating that the water molecules on the solid surface seemed not “feel” attractive interactions from the charge dipoles on the solid surface. Those unexpected observations result from the collective interactions between the water molecules and charge dipoles on the solid surface, where the steric exclusion effect between water molecules greatly reduces the water-dipole interactions. Remarkably, the steric exclusion effect is also important for surfaces with charge dipole lengths greater than this critical length. PMID:22496954

Configuration and energy landscape of the benzonitrile anion

NASA Astrophysics Data System (ADS)

Kirnosov, Nikita; Adamowicz, Ludwik

2017-05-01

Quantum chemical calculations are employed to study the configurational isomers of the anion formed by benzene substituted with a cyano group. It is found that an excess electron can form dipole-bound (DB) states with benzonitrile and phenyl-isocyanide isomers. It can also attach to the cyano group, if this group is separated from the benzene ring by some distance, forming a covalent CN- anion. There are four positions at peripherals of the benzene ring where this anion can localize and form stable complexes with the benzene radical. In these complexes CN- is connected to the benzene radical via non-covalent interactions.

Complex Waves on 1D, 2D, and 3D Periodic Arrays of Lossy and Lossless Magnetodielectric Spheres

DTIC Science & Technology

2010-05-16

magnetic) dipole field. The radius of the spheres is denoted by a, and t he relative permittivity and permeability of the spheres are denoted by fr and...1-’" respectively, where fr and I-’r are in general complex. We denote the separation between the centers of adjacent spheres by d, take the z axis...fT and JJ.’i-ff become reciprocals) , both (~fT and J.’’i- fr should approach the value of + 1. However, a little t.hought and numerical examples

Model misspecification detection by means of multiple generator errors, using the observed potential map.

PubMed

Zhang, Z; Jewett, D L

1994-01-01

Due to model misspecification, currently-used Dipole Source Localization (DSL) methods may contain Multiple-Generator Errors (MulGenErrs) when fitting simultaneously-active dipoles. The size of the MulGenErr is a function of both the model used, and the dipole parameters, including the dipoles' waveforms (time-varying magnitudes). For a given fitting model, by examining the variation of the MulGenErrs (or the fit parameters) under different waveforms for the same generating-dipoles, the accuracy of the fitting model for this set of dipoles can be determined. This method of testing model misspecification can be applied to evoked potential maps even when the parameters of the generating-dipoles are unknown. The dipole parameters fitted in a model should only be accepted if the model can be shown to be sufficiently accurate.

Achieving a strongly negative scattering asymmetry factor in random media composed of dual-dipolar particles

NASA Astrophysics Data System (ADS)

Wang, B. X.; Zhao, C. Y.

2018-02-01

Understanding radiative transfer in random media like micro- or nanoporous and particulate materials, allows people to manipulate the scattering and absorption of radiation, as well as opens new possibilities in applications such as imaging through turbid media, photovoltaics, and radiative cooling. A strong-backscattering phase function, i.e., a negative scattering asymmetry parameter g , is of great interest, which can possibly lead to unusual radiative transport phenomena, for instance, Anderson localization of light. Here we demonstrate that by utilizing the structural correlations and second Kerker condition for a disordered medium composed of randomly distributed silicon nanoparticles, a strongly negative scattering asymmetry factor (g ˜-0.5 ) for multiple light scattering can be realized in the near infrared. Based on the multipole expansion of Foldy-Lax equations and quasicrystalline approximation (QCA), we have rigorously derived analytical expressions for the effective propagation constant and scattering phase function for a random system containing spherical particles, by taking the effect of structural correlations into account. We show that as the concentration of scattering particles rises, the backscattering is also enhanced. Moreover, in this circumstance, the transport mean free path is largely reduced and even becomes smaller than that predicted by independent scattering approximation. We further explore the dependent scattering effects, including the modification of electric and magnetic dipole excitations and far-field interference effect, both induced and influenced by the structural correlations, for volume fraction of particles up to fv˜0.25 . Our results have profound implications in harnessing micro- or nanoscale radiative transfer through random media.

Weak bases and formation of a less soluble lauryl sulfate salt/complex in sodium lauryl sulfate (SLS) containing media.

PubMed

Bhattachar, Shobha N; Risley, Donald S; Werawatganone, Pornpen; Aburub, Aktham

2011-06-30

This work reports on the solubility of two weakly basic model compounds in media containing sodium lauryl sulfate (SLS). Results clearly show that the presence of SLS in the media (e.g. simulated gastric fluid or dissolution media) can result in an underestimation of solubility of some weak bases. We systematically study this phenomenon and provide evidence (chromatography and pXRD) for the first time that the decrease in solubility is likely due to formation of a less soluble salt/complex between the protonated form of the weak base and lauryl sulfate anion. Copyright © 2011 Elsevier B.V. All rights reserved.

Media framing of complex issues: The case of endangered languages.

PubMed

Rivenburgh, Nancy K

2013-08-01

This study investigates how media frame a global trend that is complex in nature, emergent in terms of scientific understanding, and has public policy implications: the rapid disappearance of languages. It analyzes how English-language media from 15 western, industrialized countries frame the causes and implications of endangered languages over 35 years (1971-2006) - a time period notable for growing, interdisciplinary concerns over the potential negative impacts of losing the world's linguistic diversity. The results reveal a media discourse characterized by three complementary frames that are sympathetic to the plight of endangered languages, but that present the problem, its cause, and societal implications in a logical structure that would promote public complacency.

An analysis of electrical conductivity model in saturated porous media

NASA Astrophysics Data System (ADS)

Cai, J.; Wei, W.; Qin, X.; Hu, X.

2017-12-01

Electrical conductivity of saturated porous media has numerous applications in many fields. In recent years, the number of theoretical methods to model electrical conductivity of complex porous media has dramatically increased. Nevertheless, the process of modeling the spatial conductivity distributed function continues to present challenges when these models used in reservoirs, particularly in porous media with strongly heterogeneous pore-space distributions. Many experiments show a more complex distribution of electrical conductivity data than the predictions derived from the experiential model. Studies have observed anomalously-high electrical conductivity of some low-porosity (tight) formations compared to more- porous reservoir rocks, which indicates current flow in porous media is complex and difficult to predict. Moreover, the change of electrical conductivity depends not only on the pore volume fraction but also on several geometric properties of the more extensive pore network, including pore interconnection and tortuosity. In our understanding of electrical conductivity models in porous media, we study the applicability of several well-known methods/theories to electrical characteristics of porous rocks as a function of pore volume, tortuosity and interconnection, to estimate electrical conductivity based on the micro-geometrical properties of rocks. We analyze the state of the art of scientific knowledge and practice for modeling porous structural systems, with the purpose of identifying current limitations and defining a blueprint for future modeling advances. We compare conceptual descriptions of electrical current flow processes in pore space considering several distinct modeling approaches. Approaches to obtaining more reasonable electrical conductivity models are discussed. Experiments suggest more complex relationships between electrical conductivity and porosity than experiential models, particularly in low-porosity formations. However, the available theoretical models combined with simulations do provide insight to how microscale physics affects macroscale electrical conductivity in porous media.

Spectral performance of Square Kilometre Array Antennas - II. Calibration performance

NASA Astrophysics Data System (ADS)

Trott, Cathryn M.; de Lera Acedo, Eloy; Wayth, Randall B.; Fagnoni, Nicolas; Sutinjo, Adrian T.; Wakley, Brett; Punzalan, Chris Ivan B.

2017-09-01

We test the bandpass smoothness performance of two prototype Square Kilometre Array (SKA) SKA1-Low log-periodic dipole antennas, SKALA2 and SKALA3 ('SKA Log-periodic Antenna'), and the current dipole from the Murchison Widefield Array (MWA) precursor telescope. Throughout this paper, we refer to the output complex-valued voltage response of an antenna when connected to a low-noise amplifier, as the dipole bandpass. In Paper I, the bandpass spectral response of the log-periodic antenna being developed for the SKA1-Low was estimated using numerical electromagnetic simulations and analysed using low-order polynomial fittings, and it was compared with the HERA antenna against the delay spectrum metric. In this work, realistic simulations of the SKA1-Low instrument, including frequency-dependent primary beam shapes and array configuration, are used with a weighted least-squares polynomial estimator to assess the ability of a given prototype antenna to perform the SKA Epoch of Reionisation (EoR) statistical experiments. This work complements the ideal estimator tolerances computed for the proposed EoR science experiments in Trott & Wayth, with the realized performance of an optimal and standard estimation (calibration) procedure. With a sufficient sky calibration model at higher frequencies, all antennas have bandpasses that are sufficiently smooth to meet the tolerances described in Trott & Wayth to perform the EoR statistical experiments, and these are primarily limited by an adequate sky calibration model and the thermal noise level in the calibration data. At frequencies of the Cosmic Dawn, which is of principal interest to SKA as one of the first next-generation telescopes capable of accessing higher redshifts, the MWA dipole and SKALA3 antenna have adequate performance, while the SKALA2 design will impede the ability to explore this era.

Cyclic Evolution of Coronal Fields from a Coupled Dynamo Potential-Field Source-Surface Model.

PubMed

Dikpati, Mausumi; Suresh, Akshaya; Burkepile, Joan

The structure of the Sun's corona varies with the solar-cycle phase, from a near spherical symmetry at solar maximum to an axial dipole at solar minimum. It is widely accepted that the large-scale coronal structure is governed by magnetic fields that are most likely generated by dynamo action in the solar interior. In order to understand the variation in coronal structure, we couple a potential-field source-surface model with a cyclic dynamo model. In this coupled model, the magnetic field inside the convection zone is governed by the dynamo equation; these dynamo-generated fields are extended from the photosphere to the corona using a potential-field source-surface model. Assuming axisymmetry, we take linear combinations of associated Legendre polynomials that match the more complex coronal structures. Choosing images of the global corona from the Mauna Loa Solar Observatory at each Carrington rotation over half a cycle (1986 - 1991), we compute the coefficients of the associated Legendre polynomials up to degree eight and compare with observations. We show that at minimum the dipole term dominates, but it fades as the cycle progresses; higher-order multipolar terms begin to dominate. The amplitudes of these terms are not exactly the same for the two limbs, indicating that there is a longitude dependence. While both the 1986 and the 1996 minimum coronas were dipolar, the minimum in 2008 was unusual, since there was a substantial departure from a dipole. We investigate the physical cause of this departure by including a North-South asymmetry in the surface source of the magnetic fields in our flux-transport dynamo model, and find that this asymmetry could be one of the reasons for departure from the dipole in the 2008 minimum.

The structure and dipole moment of globular proteins in solution and crystalline states: use of NMR and X-ray databases for the numerical calculation of dipole moment.

PubMed

Takashima, S

2001-04-05

The large dipole moment of globular proteins has been well known because of the detailed studies using dielectric relaxation and electro-optical methods. The search for the origin of these dipolemoments, however, must be based on the detailed knowledge on protein structure with atomic resolutions. At present, we have two sources of information on the structure of protein molecules: (1) x-ray databases obtained in crystalline state; (2) NMR databases obtained in solution state. While x-ray databases consist of only one model, NMR databases, because of the fluctuation of the protein folding in solution, consist of a number of models, thus enabling the computation of dipole moment repeated for all these models. The aim of this work, using these databases, is the detailed investigation on the interdependence between the structure and dipole moment of protein molecules. The dipole moment of protein molecules has roughly two components: one dipole moment is due to surface charges and the other, core dipole moment, is due to polar groups such as N--H and C==O bonds. The computation of surface charge dipole moment consists of two steps: (A) calculation of the pK shifts of charged groups for electrostatic interactions and (B) calculation of the dipole moment using the pK corrected for electrostatic shifts. The dipole moments of several proteins were computed using both NMR and x-ray databases. The dipole moments of these two sets of calculations are, with a few exceptions, in good agreement with one another and also with measured dipole moments.

Mixed cerium-platinum oxides: Electronic structure of [CeO]Pt{sub n} (n = 1, 2) and [CeO{sub 2}]Pt complex anions and neutrals

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

Ray, Manisha; Kafader, Jared O.; Topolski, Josey E.

The electronic structures of several small Ce–Pt oxide complexes were explored using a combination of anion photoelectron (PE) spectroscopy and density functional theory calculations. Pt and Pt{sub 2} both accept electron density from CeO diatomic molecules, in which the cerium atom is in a lower-than-bulk oxidation state (+2 versus bulk +4). Neutral [CeO]Pt and [CeO]Pt{sub 2} complexes are therefore ionic, with electronic structures described qualitatively as [CeO{sup +2}]Pt{sup −2} and [CeO{sup +}]Pt{sub 2}{sup −}, respectively. The associated anions are described qualitatively as [CeO{sup +}]Pt{sup −2} and [CeO{sup +}]Pt{sub 2}{sup −2}, respectively. In both neutrals and anions, the most stable molecularmore » structures determined by calculations feature a distinct CeO moiety, with the positively charged Ce center pointing toward the electron rich Pt or Pt{sub 2} moiety. Spectral simulations based on calculated spectroscopic parameters are in fair agreement with the spectra, validating the computationally determined structures. In contrast, when Pt is coupled with CeO{sub 2}, which has no Ce-localized electrons that can readily be donated to Pt, the anion is described as [CeO{sub 2}]Pt{sup −}. The molecular structure predicted computationally suggests that it is governed by charge-dipole interactions. The neutral [CeO{sub 2}]Pt complex lacks charge-dipole stabilizing interactions, and is predicted to be structurally very different from the anion, featuring a single Pt–O–Ce bridge bond. The PE spectra of several of the complexes exhibit evidence of photodissociation with Pt{sup −} daughter ion formation. The electronic structures of these complexes are related to local interactions in Pt-ceria catalyst-support systems.« less

Imaging Radar Studies of Atmospheric Winds and Waves

DTIC Science & Technology

1993-09-02

3*ZAWindow - ZASpread(dir) do 10004 ant - 1,3 0 C "c Test #1: Reject this Doppler frequency if both quadrature "c components are too small on any...dipole) - pd23(dir,dipole) - 2*pi If (pd23(dir,dipole) .At. -pi) 1 pd23(dir,dipole) - pd23(dir,dipole) + 2*pi c "c Tests #2,3,6,&7: The two zenith...thetal+theta2)/2 10098 continue c "c Tests #4 and #8: Both dipoles have separately determined zenith "c angles for one direction. Do these two values

Nona-coordinated chiral Eu(III) complexes with stereoselective ligand-ligand noncovalent interactions for enhanced circularly polarized luminescence.

PubMed

Harada, Takashi; Tsumatori, Hiroyuki; Nishiyama, Katsura; Yuasa, Junpei; Hasegawa, Yasuchika; Kawai, Tsuyoshi

2012-06-18

Circularly polarized luminescence (CPL) of chiral Eu(III) complexes with nona- and octa-coordinated structures, [Eu(R/S-iPr-Pybox)(D-facam)(3)] (1-R/1-S; R/S-iPr-Pybox, 2,6-bis(4R/4S-isopropyl-2-oxazolin-2-yl)pyridine; D-facam, 3-trifluoroacetyl-d-camphor), [Eu(S,S-Me-Ph-Pybox)(D-facam)(3)] (2-SS; S,S-Me-Ph-Pybox, 2,6-bis(4S-methyl-5S-phenyl-2-oxazolin-2-yl)pyridine), and [Eu(Phen)(D-facam)(3)] (3; Phen, 1,10-phenanthroline) are reported, and their structural features are discussed on the basis of X-ray crystallographic analyses. These chiral Eu(III) complexes showed relatively intense photoluminescence due to their (5)D(0) → (7)F(1) (magnetic-dipole) and (5)D(0) → (7)F(2) (electric-dipole) transition. The dissymmetry factors of CPL (g(CPL)) at the former band of 1-R and 1-S were as large as -1.0 and -0.8, respectively, while the g(CPL) of 3 at the (5)D(0) → (7)F(1) transition was relatively small (g(CPL) = -0.46). X-ray crystallographic data indicated specific ligand-ligand hydrogen bonding in these compounds which was expected to stabilize their chiral structures even in solution phase. CPL properties of 1-R and 1-S were discussed in terms of transition nature of lanthanide luminescence.

Youth Media Literacy Practices: The Possibilities and Complexities of Creating and Distributing Non-Commercial Public Media in a Private and Commercial World

ERIC Educational Resources Information Center

Bach, Amy Jane

2010-01-01

Drawn from more than two years of ethnographic data collection, this dissertation study explores the literacy practices enacted in a youth media organization (the Youth Media Group) that is a branch of a public access television station (Manhattan Media) in New York City. Rooted in New Literacy Studies, a branch of scholarship which explores…

Social Media Pedagogy: Applying an Interdisciplinary Approach to Teach Multimodal Critical Digital Literacy

ERIC Educational Resources Information Center

Talib, Saman

2018-01-01

Social media permeates the daily lives of millennials, as they use it constantly for a variety of reasons. A significant contributing factor is the availability of social media through smartphones and mobile apps. This kind of immersive and complex media environment calls for a literacy pedagogy that prepares students to understand, engage with,…

Metaphor and Congruence in the Media: Barriers for International Students of Economics and Commerce.

ERIC Educational Resources Information Center

McGowan, Ursula

1997-01-01

Uses the systemic-functional concept of "congruence" to analyze media texts related to commentaries and reports surrounding the 1995 Australian Federal Budget. Results present insights into the complexity and inaccessibility of some media texts for students new to English in the context of economics or the Australian media. (17…

The Emotional Impact of Traditional and New Media in Social Events

ERIC Educational Resources Information Center

Salcudean, Minodora; Muresan, Raluca

2017-01-01

In past times, media were the sole vector to reflect in their entire complexity the events surrounding major world tragedies. Nowadays, social media are an essential component of the media process and classical press channels are connected to the social networking flow, where they can find information and, at the same time, tap into the emotional…

Media as Nexus of Practice: Remaking Identities in "What Not to Wear"

ERIC Educational Resources Information Center

Wohlwend, Karen E.; Medina, Carmen L.

2012-01-01

In this conceptual piece, we examine media as a nexus of a traditional schooling pedagogy and performance pedagogy to make visible how their overlapping elements produce media's pervasive educative force but also to gain a deeper understanding of the complexities of using media in educational contexts. Nexus analysis examines a fashion makeover…

Too Much of a Good Thing? How Teachers' Enthusiasm May Lead to Protectionism in Exploring Media & Gender

ERIC Educational Resources Information Center

Friesem, Elizaveta

2018-01-01

Challenges of media and gender literacy classes include the danger of steering students towards "right" interpretations of media texts while simplifying the complex relationship between audiences and media texts. The current paper describes a case study that focused on two high school teachers who were motivated by their protectionist…

A gaussian model for simulated geomagnetic field reversals

NASA Astrophysics Data System (ADS)

Wicht, Johannes; Meduri, Domenico G.

2016-10-01

Field reversals are the most spectacular events in the geomagnetic history but remain little understood. Here we explore the dipole behaviour in particularly long numerical dynamo simulations to reveal statistically significant conditions required for reversals and excursions to happen. We find that changes in the axial dipole moment behaviour are crucial while the equatorial dipole moment plays a negligible role. For small Rayleigh numbers, the axial dipole always remains strong and stable and obeys a clearly Gaussian probability distribution. Only when the Rayleigh number is increased sufficiently the axial dipole can reverse and its distribution becomes decisively non-Gaussian. Increased likelihoods around zero indicate a pronounced lingering in a new low dipole moment state. Reversals and excursions can only happen when axial dipole fluctuations are large enough to drive the system from the high dipole moment state assumed during stable polarity epochs into the low dipole moment state. Since it is just a matter of chance which polarity is amplified during dipole recovery, reversals and grand excursions, i.e. excursions during which the dipole assumes reverse polarity, are equally likely. While the overall reversal behaviour seems Earth-like, a closer comparison to palaeomagnetic findings suggests that the simulated events last too long and that grand excursions are too rare. For a particularly large Ekman number we find a second but less Earth-like type of reversals where the total field decays and recovers after a certain time.

Electromagnetic toroidal excitations in matter and free space.

PubMed

Papasimakis, N; Fedotov, V A; Savinov, V; Raybould, T A; Zheludev, N I

2016-03-01

The toroidal dipole is a localized electromagnetic excitation, distinct from the magnetic and electric dipoles. While the electric dipole can be understood as a pair of opposite charges and the magnetic dipole as a current loop, the toroidal dipole corresponds to currents flowing on the surface of a torus. Toroidal dipoles provide physically significant contributions to the basic characteristics of matter including absorption, dispersion and optical activity. Toroidal excitations also exist in free space as spatially and temporally localized electromagnetic pulses propagating at the speed of light and interacting with matter. We review recent experimental observations of resonant toroidal dipole excitations in metamaterials and the discovery of anapoles, non-radiating charge-current configurations involving toroidal dipoles. While certain fundamental and practical aspects of toroidal electrodynamics remain open for the moment, we envision that exploitation of toroidal excitations can have important implications for the fields of photonics, sensing, energy and information.

Huygens’ Metasurfaces Enabled by Magnetic Dipole Resonance Tuning in Split Dielectric Nanoresonators

DOE PAGES

Liu, Sheng; Vaskin, Aleksandr; Campione, Salvatore; ...

2017-06-07

Dielectric metasurfaces that exploit the different Mie resonances of nanoscale dielectric resonators are a powerful platform for manipulating electromagnetic fields and can provide novel optical behavior. Here in this work, we experimentally demonstrate independent tuning of the magnetic dipole resonances relative to the electric dipole resonances of split dielectric resonators (SDRs). By increasing the split dimension, we observe a blue shift of the magnetic dipole resonance toward the electric dipole resonance. Therefore, SDRs provide the ability to directly control the interaction between the two dipole resonances within the same resonator. For example, we achieve the first Kerker condition by spectrallymore » overlapping the electric and magnetic dipole resonances and observe significantly suppressed backward scattering. Moreover, we show that a single SDR can be used as an optical nanoantenna that provides strong unidirectional emission from an electric dipole source.« less

Dual frequency, dual polarized, multi-layered microstrip slot and dipole array antenna

NASA Technical Reports Server (NTRS)

Tulintseff, Ann N. (Inventor)

1995-01-01

An antenna array system is disclosed which uses subarrays of slots and subarrays of dipoles on separate planes. The slots and dipoles respectively are interleaved, which is to say there is minimal overlap between them. Each subarray includes a microstrip transmission line and a plurality of elements extending perpendicular thereto. The dipoles form the transmission elements and the slots form the receive elements. The plane in which the slots are formed also forms a ground plane for the dipoles--hence the feed to the dipole is on the opposite side of this ground plane as the feed to the slots. HPAs are located adjacent the dipoles on one side of the substrate and LNAs are located adjacent the slots on the other side of the substrate. The dipoles and slots are tuned by setting different offsets between each element and the microstrip transmission line.

Social Media Use Among Physicians and Trainees: Results of a National Medical Oncology Physician Survey.

PubMed

Adilman, Rachel; Rajmohan, Yanchini; Brooks, Edward; Urgoiti, Gloria Roldan; Chung, Caroline; Hammad, Nazik; Trinkaus, Martina; Naseem, Madiha; Simmons, Christine; Adilman, Rachel; Rajmohan, Yanchini; Brooks, Edward; Roldan Urgoiti, Gloria; Chung, Caroline; Hammad, Nazik; Trinkaus, Martina; Naseem, Madiha; Simmons, Christine

2016-01-01

Cancer management requires coordinated care from many health care providers, and its complexity requires physicians be up to date on current research. Web-based social media support physician collaboration and information sharing, but the extent to which physicians use social media for these purposes remains unknown. The complex field of oncology will benefit from increased use of online social media to enhance physician communication, education, and mentorship. To facilitate this, patterns of social media use among oncologists must be better understood. A nine-item survey investigating physician social media use, designed using online survey software, was distributed via e-mail to 680 oncology physicians and physicians in training in Canada. Responses were analyzed using descriptive statistics. A total of 207 responses (30%) were received; 72% of respondents reported using social media. Social media use was highest, at 93%, in respondents age 25 to 34 years and lowest, at 39%, in those age 45 to 54 years. This demonstrates a significant gap in social media use between younger users and mid- to late-career users. The main barrier to use was lack of free time. The identified gap in social media use between age cohorts may have negative implications for communication in oncology. Despite advancements in social media and efforts to integrate social media into medical education, most oncologists and trainees use social media rarely, which, along with the age-related gap in use, may have consequences for collaboration and education in oncology. Investigations to further understand barriers to social media use should be undertaken to enhance physician collaboration and knowledge sharing through social media.

Electric dipole polarizability from first principles calculations

DOE PAGES

Miorelli, M.; Bacca, S.; Barnea, N.; ...

2016-09-19

The electric dipole polarizability quantifies the low-energy behavior of the dipole strength and is related to critical observables such as the radii of the proton and neutron distributions. Its computation is challenging because most of the dipole strength lies in the scattering continuum. In our paper we combine integral transforms with the coupled-cluster method and compute the dipole polarizability using bound-state techniques. Furthermore, employing different interactions from chiral effective field theory, we confirm the strong correlation between the dipole polarizability and the charge radius, and study its dependence on three-nucleon forces. Finally, we find good agreement with data for themore » 4He, 40Ca, and 16O nuclei, and predict the dipole polarizability for the rare nucleus 22O.« less

Increasing Growth Yield and Decreasing Acetylation in Escherichia coli by Optimizing the Carbon-to-Magnesium Ratio in Peptide-Based Media.

PubMed

Christensen, David G; Orr, James S; Rao, Christopher V; Wolfe, Alan J

2017-03-15

Complex media are routinely used to cultivate diverse bacteria. However, this complexity can obscure the factors that govern cell growth. While studying protein acetylation in buffered tryptone broth supplemented with glucose (TB7-glucose), we observed that Escherichia coli did not fully consume glucose prior to stationary phase. However, when we supplemented this medium with magnesium, the glucose was completely consumed during exponential growth, with concomitant increases in cell number and biomass but reduced cell size. Similar results were observed with other sugars and other peptide-based media, including lysogeny broth. Magnesium also limited cell growth for Vibrio fischeri and Bacillus subtilis in TB7-glucose. Finally, magnesium supplementation reduced protein acetylation. Based on these results, we conclude that growth in peptide-based media is magnesium limited. We further conclude that magnesium supplementation can be used to tune protein acetylation without genetic manipulation. These results have the potential to reduce potentially deleterious acetylated isoforms of recombinant proteins without negatively affecting cell growth. IMPORTANCE Bacteria are often grown in complex media. These media are thought to provide the nutrients necessary to grow bacteria to high cell densities. In this work, we found that peptide-based media containing a sugar are magnesium limited for bacterial growth. In particular, magnesium supplementation is necessary for the bacteria to use the sugar for cell growth. Interestingly, in the absence of magnesium supplementation, the bacteria still consume the sugar. However, rather than use it for cell growth, the bacteria instead use the sugar to acetylate lysines on proteins. As lysine acetylation may alter the activity of proteins, this work demonstrates how lysine acetylation can be tuned through magnesium supplementation. These findings may be useful for recombinant protein production, when acetylated isoforms are to be avoided. They also demonstrate how to increase bacterial growth in complex media. Copyright © 2017 American Society for Microbiology.

Increasing Growth Yield and Decreasing Acetylation in Escherichia coli by Optimizing the Carbon-to-Magnesium Ratio in Peptide-Based Media

PubMed Central

Christensen, David G.; Orr, James S.; Rao, Christopher V.

2017-01-01

ABSTRACT Complex media are routinely used to cultivate diverse bacteria. However, this complexity can obscure the factors that govern cell growth. While studying protein acetylation in buffered tryptone broth supplemented with glucose (TB7-glucose), we observed that Escherichia coli did not fully consume glucose prior to stationary phase. However, when we supplemented this medium with magnesium, the glucose was completely consumed during exponential growth, with concomitant increases in cell number and biomass but reduced cell size. Similar results were observed with other sugars and other peptide-based media, including lysogeny broth. Magnesium also limited cell growth for Vibrio fischeri and Bacillus subtilis in TB7-glucose. Finally, magnesium supplementation reduced protein acetylation. Based on these results, we conclude that growth in peptide-based media is magnesium limited. We further conclude that magnesium supplementation can be used to tune protein acetylation without genetic manipulation. These results have the potential to reduce potentially deleterious acetylated isoforms of recombinant proteins without negatively affecting cell growth. IMPORTANCE Bacteria are often grown in complex media. These media are thought to provide the nutrients necessary to grow bacteria to high cell densities. In this work, we found that peptide-based media containing a sugar are magnesium limited for bacterial growth. In particular, magnesium supplementation is necessary for the bacteria to use the sugar for cell growth. Interestingly, in the absence of magnesium supplementation, the bacteria still consume the sugar. However, rather than use it for cell growth, the bacteria instead use the sugar to acetylate lysines on proteins. As lysine acetylation may alter the activity of proteins, this work demonstrates how lysine acetylation can be tuned through magnesium supplementation. These findings may be useful for recombinant protein production, when acetylated isoforms are to be avoided. They also demonstrate how to increase bacterial growth in complex media. PMID:28062462

Gravitational dynamos and the low-frequency geomagnetic secular variation.

PubMed

Olson, P

2007-12-18

Self-sustaining numerical dynamos are used to infer the sources of low-frequency secular variation of the geomagnetic field. Gravitational dynamo models powered by compositional convection in an electrically conducting, rotating fluid shell exhibit several regimes of magnetic field behavior with an increasing Rayleigh number of the convection, including nearly steady dipoles, chaotic nonreversing dipoles, and chaotic reversing dipoles. The time average dipole strength and dipolarity of the magnetic field decrease, whereas the dipole variability, average dipole tilt angle, and frequency of polarity reversals increase with Rayleigh number. Chaotic gravitational dynamos have large-amplitude dipole secular variation with maximum power at frequencies corresponding to a few cycles per million years on Earth. Their external magnetic field structure, dipole statistics, low-frequency power spectra, and polarity reversal frequency are comparable to the geomagnetic field. The magnetic variability is driven by the Lorentz force and is characterized by an inverse correlation between dynamo magnetic and kinetic energy fluctuations. A constant energy dissipation theory accounts for this inverse energy correlation, which is shown to produce conditions favorable for dipole drift, polarity reversals, and excursions.

Gravitational dynamos and the low-frequency geomagnetic secular variation

PubMed Central

Olson, P.

2007-01-01

Self-sustaining numerical dynamos are used to infer the sources of low-frequency secular variation of the geomagnetic field. Gravitational dynamo models powered by compositional convection in an electrically conducting, rotating fluid shell exhibit several regimes of magnetic field behavior with an increasing Rayleigh number of the convection, including nearly steady dipoles, chaotic nonreversing dipoles, and chaotic reversing dipoles. The time average dipole strength and dipolarity of the magnetic field decrease, whereas the dipole variability, average dipole tilt angle, and frequency of polarity reversals increase with Rayleigh number. Chaotic gravitational dynamos have large-amplitude dipole secular variation with maximum power at frequencies corresponding to a few cycles per million years on Earth. Their external magnetic field structure, dipole statistics, low-frequency power spectra, and polarity reversal frequency are comparable to the geomagnetic field. The magnetic variability is driven by the Lorentz force and is characterized by an inverse correlation between dynamo magnetic and kinetic energy fluctuations. A constant energy dissipation theory accounts for this inverse energy correlation, which is shown to produce conditions favorable for dipole drift, polarity reversals, and excursions. PMID:18048345

Identification of small-scale low and high permeability layers using single well forced-gradient tracer tests: fluorescent dye imaging and modelling at the laboratory-scale.

PubMed

Barns, Gareth L; Thornton, Steven F; Wilson, Ryan D

2015-01-01

Heterogeneity in aquifer permeability, which creates paths of varying mass flux and spatially complex contaminant plumes, can complicate the interpretation of contaminant fate and transport in groundwater. Identifying the location of high mass flux paths is critical for the reliable estimation of solute transport parameters and design of groundwater remediation schemes. Dipole flow tracer tests (DFTTs) and push-pull tests (PPTs) are single well forced-gradient tests which have been used at field-scale to estimate aquifer hydraulic and transport properties. In this study, the potential for PPTs and DFTTs to resolve the location of layered high- and low-permeability layers in granular porous media was investigated with a pseudo 2-D bench-scale aquifer model. Finite element fate and transport modelling was also undertaken to identify appropriate set-ups for in situ tests to determine the type, magnitude, location and extent of such layered permeability contrasts at the field-scale. The characteristics of flow patterns created during experiments were evaluated using fluorescent dye imaging and compared with the breakthrough behaviour of an inorganic conservative tracer. The experimental results show that tracer breakthrough during PPTs is not sensitive to minor permeability contrasts for conditions where there is no hydraulic gradient. In contrast, DFTTs are sensitive to the type and location of permeability contrasts in the host media and could potentially be used to establish the presence and location of high or low mass flux paths. Numerical modelling shows that the tracer peak breakthrough time and concentration in a DFTT is sensitive to the magnitude of the permeability contrast (defined as the permeability of the layer over the permeability of the bulk media) between values of 0.01-20. DFTTs are shown to be more sensitive to deducing variations in the contrast, location and size of aquifer layered permeability contrasts when a shorter central packer is used. However, larger packer sizes are more likely to be practical for field-scale applications, with fewer tests required to characterise a given aquifer section. The sensitivity of DFTTs to identify layered permeability contrasts was not affected by test flow rate. Copyright © 2014 Elsevier B.V. All rights reserved.

Initial-state colour dipole emission associated with QCD Pomeron exchange

NASA Astrophysics Data System (ADS)

Bialas, A.; Peschanski, R.

1995-02-01

The initial-state radiation of soft colour dipoles produced together with a single QCD Pomeron exchange (BFKL) in onium-onium scattering is calculated in the framework of Mueller's approach. The resulting dipole production grows with increasing energy and reveals an unexpected feature of a power-law tail at appreciably large transverse distances from the collision axis, this phenomenon being related to the scale-invariant structure of dipole-dipole correlations.

A new dipole index of the salinity anomalies of the tropical Indian Ocean.

PubMed

Li, Junde; Liang, Chujin; Tang, Youmin; Dong, Changming; Chen, Dake; Liu, Xiaohui; Jin, Weifang

2016-04-07

With the increased interest in studying the sea surface salinity anomaly (SSSA) of the tropical Indian Ocean during the Indian Ocean Dipole (IOD), an index describing the dipole variability of the SSSA has been pursued recently. In this study, we first use a regional ocean model with a high spatial resolution to produce a high-quality salinity simulation during the period from 1982 to 2014, from which the SSSA dipole structure is identified for boreal autumn. On this basis, by further analysing the observed data, we define a dipole index of the SSSA between the central equatorial Indian Ocean (CEIO: 70°E-90°E, 5°S-5°N) and the region off the Sumatra-Java coast (SJC: 100°E-110°E, 13°S-3°S). Compared with previous SSSA dipole indices, this index has advantages in detecting the dipole signals and in characterizing their relationship to the sea surface temperature anomaly (SSTA) dipole variability. Finally, the mechanism of the SSSA dipole is investigated by dynamical diagnosis. It is found that anomalous zonal advection dominates the SSSA in the CEIO region, whereas the SSSA in the SJC region are mainly influenced by the anomalous surface freshwater flux. This SSSA dipole provides a positive feedback to the formation of the IOD events.

Microwave Spectrum of Hydrogen Bonded HEXAFLUOROISOPROPANOL•••WATER Complex

NASA Astrophysics Data System (ADS)

Shahi, Abhishek; Arunan, Elangannan

2014-06-01

Stabilizing α-helical structure of protein and dissolving a hard to dissolve polymer, polythene terphthalete, are some of the unique properties of the organic solvent Hexafluoroisopropanol (HFIP). After determining the complete microwave spectrum of HFIP monomer, we have recorded the spectrum of HFIP***H_2O complex. Ab initio calculations were used to optimize three different possible structures. The global minimum, structure 1, had HFIP as proton donor. Another promising structure, Structure 2, has been obtained from a molecular dynamic study. A total of 46 observed lines have been fitted well for obtaining the rotational and distortion constants within experimental uncertainty. The observed rotational constants are A = 1134.53898(77) MHz, B = 989.67594(44) MHz and C = 705.26602(20) MHz. Interestingly, the rotational constants of structure 1, structure 2 and experiments were very close. Experimentally observed distortion constants were close to structure 1. b-type transitions were stronger than c-type which is also consistent with the calculated dipole moment components of structure 1. Calculations predict a non-zero a-dipole moment but experimentally a-type transitions were absent. Microwave spectra of two of the deuterium isotopologues of this complex i.e. HFIP***D_2O (30 transitions) and HFIP***HOD (33 transitions) have been also observed. Search for other isotopologues are in progress. To characterize the nature of hydrogen bonding, Atoms in Molecules and Natural Bond Orbital theoretical analysis have been done. Experimental structure and these theoretical analyses indicate that the hydrogen bonding in HFIP***H_2O complex is stronger than that in water dimer. A. Shahi and E. Arunan, Talk number RK16, 68th International Symposium on Molecular Spectroscopy 2013, Ohio, USA. Yamaguchi, T.; Imura, S.; Kai, T.; Yoshida, K. Zeitschrift für Naturforsch. A 2013, 68a, 145.

Interaction between adrenaline and dibenzo-18-crown-6: Electrochemical, nuclear magnetic resonance, and theoretical study

NASA Astrophysics Data System (ADS)

Yu, Zhang-Yu; Liu, Tao; Wang, Xue-Liang

2014-12-01

The interaction between adrenaline (Ad) and dibenzo-18-crown-6 (DB18C6) was studied by cyclic voltammetry, nuclear magnetic resonance spectroscopy, and the theoretical calculations, respectively. The results show that DB18C6 will affect the electron transfer properties of Ad. DB18C6 can form stable supramolecular complexes with Ad through ion-dipole and hydrogen bond interactions.

Social Media Use, Friendship Quality, and the Moderating Role of Anxiety in Adolescents with Autism Spectrum Disorder

ERIC Educational Resources Information Center

van Schalkwyk, Gerrit I.; Marin, Carla E.; Ortiz, Mayra; Rolison, Max; Qayyum, Zheala; McPartland, James C.; Lebowitz, Eli R.; Volkmar, Fred R.; Silverman, Wendy K.

2017-01-01

Social media holds promise as a technology to facilitate social engagement, but may displace offline social activities. Adolescents with ASD are well suited to capitalize on the unique features of social media, which requires less decoding of complex social information. In this cross-sectional study, we assessed social media use, anxiety and…

A Deeper Look into the Complex Relationship between Social Media Use and Academic Outcomes and Attitudes

ERIC Educational Resources Information Center

Hassell, Martin D.; Sukalich, Mary F.

2016-01-01

Introduction: The use of social media is prevalent among college students, and it is important to understand how social media use may impact students' attitudes and behaviour. Prior studies have shown negative outcomes of social media use, but researchers have not fully discovered or fully understand the processes and implications of these…

Design and Test of Magnetic Wall Decoupling for Dipole Transmit/Receive Array for MR Imaging at the Ultrahigh Field of 7T.

PubMed

Yan, Xinqiang; Zhang, Xiaoliang; Wei, Long; Xue, Rong

2015-01-01

Radio-frequency coil arrays using dipole antenna technique have been recently applied for ultrahigh field magnetic resonance (MR) imaging to obtain the better signal-noise-ratio (SNR) gain at the deep area of human tissues. However, the unique structure of dipole antennas makes it challenging to achieve sufficient electromagnetic decoupling among the dipole antenna elements. Currently, there is no decoupling methods proposed for dipole antenna arrays in MR imaging. The recently developed magnetic wall (MW) or induced current elimination decoupling technique has demonstrated its feasibility and robustness in designing microstrip transmission line arrays, L/C loop arrays and monopole arrays. In this study, we aim to investigate the possibility and performance of MW decoupling technique in dipole arrays for MR imaging at the ultrahigh field of 7T. To achieve this goal, a two-channel MW decoupled dipole array was designed, constructed and analyzed experimentally through bench test and MR imaging. Electromagnetic isolation between the two dipole elements was improved from about -3.6 dB (without any decoupling treatments) to -16.5 dB by using the MW decoupling method. MR images acquired from a water phantom using the MW decoupled dipole array and the geometry factor maps were measured, calculated and compared with those acquired using the dipole array without decoupling treatments. The MW decoupled dipole array demonstrated well-defined image profiles from each element and had better geometry factor over the array without decoupling treatments. The experimental results indicate that the MW decoupling technique might be a promising solution to reducing the electromagnetic coupling of dipole arrays in ultrahigh field MRI, consequently improving their performance in SNR and parallel imaging.

Single- and two-phase flow in microfluidic porous media analogs based on Voronoi tessellation

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

Wu, Mengjie; Xiao, Feng; Johnson-Paben, Rebecca

2012-01-01

The objective of this study was to create a microfluidic model of complex porous media for studying single and multiphase flows. Most experimental porous media models consist of periodic geometries that lend themselves to comparison with well-developed theoretical predictions. However, most real porous media such as geological formations and biological tissues contain a degree of randomness and complexity that is not adequately represented in periodic geometries. To design an experimental tool to study these complex geometries, we created microfluidic models of random homogeneous and heterogeneous networks based on Voronoi tessellations. These networks consisted of approximately 600 grains separated by amore » highly connected network of channels with an overall porosity of 0.11 0.20. We found that introducing heterogeneities in the form of large cavities within the network changed the permeability in a way that cannot be predicted by the classical porosity-permeability relationship known as the Kozeny equation. The values of permeability found in experiments were in excellent agreement with those calculated from three-dimensional lattice Boltzmann simulations. In two-phase flow experiments of oil displacement with water we found that the surface energy of channel walls determined the pattern of water invasion, while the network topology determined the residual oil saturation. These results suggest that complex network topologies lead to fluid flow behavior that is difficult to predict based solely on porosity. The microfluidic models developed in this study using a novel geometry generation algorithm based on Voronoi tessellation are a new experimental tool for studying fluid and solute transport problems within complex porous media.« less

Equivalent source modeling of the core magnetic field using magsat data

NASA Technical Reports Server (NTRS)

Mayhew, M. A.; Estes, R. H.

1983-01-01

Experiments are carried out on fitting the main field using different numbers of equivalent sources arranged in equal area at fixed radii at and inside the core-mantle boundary. In fixing the radius for a given series of runs, the convergence problems that result from the extreme nonlinearity of the problem when dipole positions are allowed to vary are avoided. Results are presented from a comparison between this approach and the standard spherical harmonic approach for modeling the main field in terms of accuracy and computational efficiency. The modeling of the main field with an equivalent dipole representation is found to be comparable to the standard spherical harmonic approach in accuracy. The 32 deg dipole density (42 dipoles) corresponds approximately to an eleventh degree/order spherical harmonic expansion (143 parameters), whereas the 21 dipole density (92 dipoles) corresponds to approximately a seventeenth degree and order expansion (323 parameters). It is pointed out that fixing the dipole positions results in rapid convergence of the dipole solutions for single-epoch models.

Social Media in the Classroom: A Simple yet Complex Hybrid Environment for Students

ERIC Educational Resources Information Center

Casey, Gail

2013-01-01

This article reports on part of the author's PhD action research study. It examines the complexity of features that social media and Web 2.0 offer when combined with face-to-face teaching and learning. Action research was used to help redesign the learning programs of XXX's thirteen Middle Years classes over an eighteen month period. These…

Molecular design for nonpolar chiral-axial quadratic nonlinear optics

NASA Astrophysics Data System (ADS)

Wiggers, Gregory A.

In this thesis the hyperpolarizability of various multi-dimensional molecules is studied theoretically/computationally, with particular focus on the second-rank Kleinman-disallowed (KD) component of the hyperpolarizability. This component, which transforms as a second-rank traceless symmetric tensor, could be utilized in certain chiral-axial molecular alignment schemes to produce a bulk response. Nonpolar chiral-axial systems have been proposed in contrast to polar media, which utilize the vector component of the molecular hyperpolarizability and require parallel alignment of the molecular dipoles. Such parallel alignment of dipoles must be "frozen in" in order to overcome the natural tendency for dipoles to align anti-parallel. This limits the density of chromophores that can be loaded into a polar material. Nonpolar materials do not have such limits in theory. The two geometric classes of molecules that can most easily be incorporated into nonpolar chiral-uniaxial materials are propeller-shaped (C3 or D3 symmetry) and Λ-shaped (C2v symmetry). This work describes efforts to design molecules within these classes that would be suitable for bulk NLO materials. The sum-over-states (SOS) expression is used to model the molecular hyperpolarizability, and quantum chemical calculations, along with linear absorption data (when available) provide the necessary parameters to evaluate truncated forms of the SOS expression. A host of chemical and geometric modifications will be considered in order to elucidate important structure/function relationships. Also, the SOS model will be tested in some cases when experimental measurements (via Kleinman-disallowed hyper-Rayleigh scattering) are available. While a majority of this work focuses on multi-dimensional molecules, a small section deals with the question of optimizing the hyperpolarizability of a one-dimensional system. It is suggested that the recently-proposed idea of "modulated conjugation" as a means for improving intrinsic molecular hyperpolarizability is based on subtle misinterpretations of computational results. Even so, the concept of modulated conjugation may lead to improved hyperpolarizabilities and possible reasons are discussed.

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

NASA Astrophysics Data System (ADS)

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

2009-05-01

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

3D magnetic sources' framework estimation using Genetic Algorithm (GA)

NASA Astrophysics Data System (ADS)

Ponte-Neto, C. F.; Barbosa, V. C.

2008-05-01

We present a method for inverting total-field anomaly for determining simple 3D magnetic sources' framework such as: batholiths, dikes, sills, geological contacts, kimberlite and lamproite pipes. We use GA to obtain magnetic sources' frameworks and their magnetic features simultaneously. Specifically, we estimate the magnetization direction (inclination and declination) and the total dipole moment intensity, and the horizontal and vertical positions, in Cartesian coordinates , of a finite set of elementary magnetic dipoles. The spatial distribution of these magnetic dipoles composes the skeletal outlines of the geologic sources. We assume that the geologic sources have a homogeneous magnetization distribution and, thus all dipoles have the same magnetization direction and dipole moment intensity. To implement the GA, we use real-valued encoding with crossover, mutation, and elitism. To obtain a unique and stable solution, we set upper and lower bounds on declination and inclination of [0,360°] and [-90°, 90°], respectively. We also set the criterion of minimum scattering of the dipole-position coordinates, to guarantee that spatial distribution of the dipoles (defining the source skeleton) be as close as possible to continuous distribution. To this end, we fix the upper and lower bounds of the dipole moment intensity and we evaluate the dipole-position estimates. If the dipole scattering is greater than a value expected by the interpreter, the upper bound of the dipole moment intensity is reduced by 10 % of the latter. We repeat this procedure until the dipole scattering and the data fitting are acceptable. We apply our method to noise-corrupted magnetic data from simulated 3D magnetic sources with simple geometries and located at different depths. In tests simulating sources such as sphere and cube, all estimates of the dipole coordinates are agreeing with center of mass of these sources. To elongated-prismatic sources in an arbitrary direction, we estimate dipole-position coordinates coincident with principal axis of sources. In tests with synthetic data, simulating the magnetic anomaly yielded by intrusive 2D structures such as dikes and sills, the estimates of the dipole coordinates are coincident with the principal plane of these 2D sources. We also inverted the aeromagnetic data from Serra do Cabral, in southeastern, Brazil, and we estimated dipoles distributed on a horizontal plane at depth of 30 km, with inclination and declination of 59.1° and -48.0°, respectively. The results showed close agreement with previous interpretation.

Probing the Cosmological Principle in the counts of radio galaxies at different frequencies

NASA Astrophysics Data System (ADS)

Bengaly, Carlos A. P.; Maartens, Roy; Santos, Mario G.

2018-04-01

According to the Cosmological Principle, the matter distribution on very large scales should have a kinematic dipole that is aligned with that of the CMB. We determine the dipole anisotropy in the number counts of two all-sky surveys of radio galaxies. For the first time, this analysis is presented for the TGSS survey, allowing us to check consistency of the radio dipole at low and high frequencies by comparing the results with the well-known NVSS survey. We match the flux thresholds of the catalogues, with flux limits chosen to minimise systematics, and adopt a strict masking scheme. We find dipole directions that are in good agreement with each other and with the CMB dipole. In order to compare the amplitude of the dipoles with theoretical predictions, we produce sets of lognormal realisations. Our realisations include the theoretical kinematic dipole, galaxy clustering, Poisson noise, simulated redshift distributions which fit the NVSS and TGSS source counts, and errors in flux calibration. The measured dipole for NVSS is ~2 times larger than predicted by the mock data. For TGSS, the dipole is almost ~ 5 times larger than predicted, even after checking for completeness and taking account of errors in source fluxes and in flux calibration. Further work is required to understand the nature of the systematics that are the likely cause of the anomalously large TGSS dipole amplitude.

A new dipole index of the salinity anomalies of the tropical Indian Ocean

PubMed Central

Li, Junde; Liang, Chujin; Tang, Youmin; Dong, Changming; Chen, Dake; Liu, Xiaohui; Jin, Weifang

2016-01-01

With the increased interest in studying the sea surface salinity anomaly (SSSA) of the tropical Indian Ocean during the Indian Ocean Dipole (IOD), an index describing the dipole variability of the SSSA has been pursued recently. In this study, we first use a regional ocean model with a high spatial resolution to produce a high-quality salinity simulation during the period from 1982 to 2014, from which the SSSA dipole structure is identified for boreal autumn. On this basis, by further analysing the observed data, we define a dipole index of the SSSA between the central equatorial Indian Ocean (CEIO: 70°E-90°E, 5°S-5°N) and the region off the Sumatra-Java coast (SJC: 100°E-110°E, 13°S-3°S). Compared with previous SSSA dipole indices, this index has advantages in detecting the dipole signals and in characterizing their relationship to the sea surface temperature anomaly (SSTA) dipole variability. Finally, the mechanism of the SSSA dipole is investigated by dynamical diagnosis. It is found that anomalous zonal advection dominates the SSSA in the CEIO region, whereas the SSSA in the SJC region are mainly influenced by the anomalous surface freshwater flux. This SSSA dipole provides a positive feedback to the formation of the IOD events. PMID:27052319

Lineshapes of Dipole-Dipole Resonances in a Cold Rydberg Gas

NASA Astrophysics Data System (ADS)

Richards, B. G.; Jones, R. R.

2015-05-01

We have examined the lineshapes associated with Stark tuned, dipole-dipole resonances involving Rydberg atoms in a cold gas. Rb atoms in a MOT are laser excited from the 5 p level to 32p3 / 2 in the presence of a weak electric field. A fast rising electric field pulse Stark tunes the total energy of two 32 p atom pairs so it is (nearly) degenerate with that of the 32s1 / 2+33s1 / 2 states. Because of the dipole-dipole coupling, atom pairs separated by a distance R, develop 32s1 / 2+33s1 / 2 character. The maximum probability for finding atoms in s-states depends on the detuning from degeneracy and on the dipole-dipole coupling. We obtain the ``resonance'' lineshape by measuring, via state-selective field ionization, the s-state population as a function of the tuning field. The resonance width decreases with density due to R-3 dependence of the dipole-dipole coupling. In principle, the lineshape provides information about the distribution of Rydberg atom spacings in the sample. For equally spaced atoms, the lineshape should be Lorentzian while for a random nearest neighbor distribution it appears as a cusp. At low densities nearly Gaussian lineshapes are observed with widths that are too large to be the result of inhomogeneous electric or magnetic fields. Supported by the NSF.

Polymer chain collapse induced by many-body dipole correlations.

PubMed

Budkov, Yu A; Kalikin, N N; Kolesnikov, A L

2017-04-01

We present a simple analytical theory of a flexible polymer chain dissolved in a good solvent, carrying permanent freely oriented dipoles on the monomers. We take into account the dipole correlations within the random phase approximation (RPA), as well as a dielectric heterogeneity in the internal polymer volume relative to the bulk solution. We demonstrate that the dipole correlations of monomers can be taken into account as pairwise ones only when the polymer chain is in a coil conformation. In this case the dipole correlations manifest themselves through the Keesom interactions of the permanent dipoles. On the other hand, the dielectric heterogeneity effect (dielectric mismatch effect) leads to the effective interaction between the monomers of the polymeric coil. Both of these effects can be taken into account by renormalizing the second virial coefficient of the monomer-monomer volume interactions. We establish that in the case when the solvent dielectric permittivity exceeds the dielectric permittivity of the polymeric material, the dielectric mismatch effect competes with the dipole attractive interactions, leading to polymer coil expansion. In the opposite case, both the dielectric mismatch effect and the dipole attractive interaction lead to the polymer coil collapse. We analyse the coil-globule transition caused by the dipole correlations of monomers within the many-body theory. We demonstrate that accounting for the dipole correlations higher than the pairwise ones smooths this pure electrostatics driven coil-globule transition of the polymer chain.

Preparation and Characterization of Amylose Inclusion Complexes for Drug Delivery Applications.

PubMed

Carbinatto, Fernanda M; Ribeiro, Tatiana S; Colnago, Luiz Alberto; Evangelista, Raul Cesar; Cury, Beatriz S F

2016-01-01

Amylose complexes with nimesulide (NMS) and praziquantel (PZQ) were prepared by a simple and low cost method, so that high yield (>57%) and drug content (up to 68.16%) were achieved. The influence of drug:polymer ratio, temperature, and presence of palmitic acid on the complexes properties was evaluated. Differential scanning calorimetry, X-ray diffraction, and nuclear magnetic resonance data evidenced the drug-polymer interaction and the formation of inclusion complexes with semi-crystalline structures related to type II complexes. The drug release rates from complexes were lowered in acid media (pH 1.2) and phosphate buffer (pH 6.9). The presence of pancreatin promoted a significant acceleration of the release rates of both drugs, evidencing the enzymatic degradability of these complexes. The highest enzymatic resistance of PZQ1:30PA60°C complex makes the release time longer and the full release of PZQ in phosphate buffer with pancreatin occurred at 240 min, whereas the complexes with NMS and PZQ1:5PA90°C did it in 60 min. According to the Weibull model, the drug release process in media without enzyme occurred by complex mechanisms involving diffusion, swelling, and erosion. In media containing pancreatin, generally, the better correlation was with the first order, evidencing the acceleration of the release rates of drugs in the early stages of the test, due to enzymatic degradation.

Direct Measurement of the Effect of Cholesterol and 6-Ketocholestanol on the Membrane Dipole Electric Field Using Vibrational Stark Effect Spectroscopy Coupled with Molecular Dynamics Simulations.

PubMed

Shrestha, Rebika; Anderson, Cari M; Cardenas, Alfredo E; Elber, Ron; Webb, Lauren J

2017-04-20

Biological membranes are heterogeneous structures with complex electrostatic profiles arising from lipids, sterols, membrane proteins, and water molecules. We investigated the effect of cholesterol and its derivative 6-ketocholestanol (6-kc) on membrane electrostatics by directly measuring the dipole electric field (F⃗ d ) within lipid bilayers containing cholesterol or 6-kc at concentrations of 0-40 mol% through the vibrational Stark effect (VSE). We found that adding low concentrations of cholesterol, up to ∼10 mol %, increases F⃗ d , while adding more cholesterol up to 40 mol% lowers F⃗ d . In contrast, we measured a monotonic increase in F⃗ d as 6-kc concentration increased. We propose that this membrane electric field is affected by multiple factors: the polarity of the sterol molecules, the reorientation of the phospholipid dipole due to sterol, and the impact of the sterol on hydrogen bonding with surface water. We used molecular dynamics simulations to examine the distribution of phospholipids, sterol, and helix in bilayers containing these sterols. At low concentrations, we observed clustering of sterols near the vibrational probe whereas at high concentrations, we observed spatial correlation between the positions of the sterol molecules. This work demonstrates how a one-atom difference in a sterol changes the physicochemical and electric field properties of the bilayer.

Structure and Dynamics of Solvent Landscapes in Charge-Transfer Reactions

NASA Astrophysics Data System (ADS)

Leite, Vitor B. Pereira

The dynamics of solvent polarization plays a major role in the control of charge transfer reactions. The success of Marcus theory describing the solvent influence via a single collective quadratic polarization coordinate has been remarkable. Onuchic and Wolynes have recently proposed (J. Chem Phys 98 (3) 2218, 1993) a simple model demonstrating how a many-dimensional-complex model composed by several dipole moments (representing solvent molecules or polar groups in proteins) can be reduced under the appropriate limits into the Marcus Model. This work presents a dynamical study of the same model, which is characterized by two parameters, an average dipole-dipole interaction as a term associated with the potential energy landscape roughness. It is shown why the effective potential, obtained using a thermodynamic approach, is appropriate for the dynamics of the system. At high temperatures, the system exhibits effective diffusive one-dimensional dynamics, where the Born-Marcus limit is recovered. At low temperatures, a glassy phase appears with a slow non-self-averaging dynamics. At intermediate temperatures, the concept of equivalent diffusion paths and polarization dependence effects are discussed. This approach is extended to treat more realistic solvent models. Real solvents are discussed in terms of simple parameters described above, and an analysis of how different regimes affect the rate of charge transfer is presented. Finally, these ideas are correlated to analogous problems in other areas.

Corrected Four-Sphere Head Model for EEG Signals.

PubMed

Næss, Solveig; Chintaluri, Chaitanya; Ness, Torbjørn V; Dale, Anders M; Einevoll, Gaute T; Wójcik, Daniel K

2017-01-01

The EEG signal is generated by electrical brain cell activity, often described in terms of current dipoles. By applying EEG forward models we can compute the contribution from such dipoles to the electrical potential recorded by EEG electrodes. Forward models are key both for generating understanding and intuition about the neural origin of EEG signals as well as inverse modeling, i.e., the estimation of the underlying dipole sources from recorded EEG signals. Different models of varying complexity and biological detail are used in the field. One such analytical model is the four-sphere model which assumes a four-layered spherical head where the layers represent brain tissue, cerebrospinal fluid (CSF), skull, and scalp, respectively. While conceptually clear, the mathematical expression for the electric potentials in the four-sphere model is cumbersome, and we observed that the formulas presented in the literature contain errors. Here, we derive and present the correct analytical formulas with a detailed derivation. A useful application of the analytical four-sphere model is that it can serve as ground truth to test the accuracy of numerical schemes such as the Finite Element Method (FEM). We performed FEM simulations of the four-sphere head model and showed that they were consistent with the corrected analytical formulas. For future reference we provide scripts for computing EEG potentials with the four-sphere model, both by means of the correct analytical formulas and numerical FEM simulations.

Corrected Four-Sphere Head Model for EEG Signals

PubMed Central

Næss, Solveig; Chintaluri, Chaitanya; Ness, Torbjørn V.; Dale, Anders M.; Einevoll, Gaute T.; Wójcik, Daniel K.

2017-01-01

The EEG signal is generated by electrical brain cell activity, often described in terms of current dipoles. By applying EEG forward models we can compute the contribution from such dipoles to the electrical potential recorded by EEG electrodes. Forward models are key both for generating understanding and intuition about the neural origin of EEG signals as well as inverse modeling, i.e., the estimation of the underlying dipole sources from recorded EEG signals. Different models of varying complexity and biological detail are used in the field. One such analytical model is the four-sphere model which assumes a four-layered spherical head where the layers represent brain tissue, cerebrospinal fluid (CSF), skull, and scalp, respectively. While conceptually clear, the mathematical expression for the electric potentials in the four-sphere model is cumbersome, and we observed that the formulas presented in the literature contain errors. Here, we derive and present the correct analytical formulas with a detailed derivation. A useful application of the analytical four-sphere model is that it can serve as ground truth to test the accuracy of numerical schemes such as the Finite Element Method (FEM). We performed FEM simulations of the four-sphere head model and showed that they were consistent with the corrected analytical formulas. For future reference we provide scripts for computing EEG potentials with the four-sphere model, both by means of the correct analytical formulas and numerical FEM simulations. PMID:29093671

Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation

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

List, Nanna Holmgaard, E-mail: nhl@sdu.dk; Jensen, Hans Jørgen Aagaard; Kauczor, Joanna

2015-06-28

We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever studying electric-dipole-forbidden transitions, and in general, non-dipolar effects become increasingly important when addressing spectroscopies involving higher-energy photons. These two aspects are examined by our study of the near K-edge X-ray absorption fine structure ofmore » the alkaline earth metals (Mg, Ca, Sr, Ba, and Ra) as well as the trans-polyenes. In following the series of alkaline earth metals, the sizes of non-dipolar effects are probed with respect to increasing photon energies and a detailed assessment of results is made in terms of studying the pertinent transition electron densities and in particular their spatial extension in comparison with the photon wavelength. Along the series of trans-polyenes, the sizes of non-dipolar effects are probed for X-ray spectroscopies on organic molecules with respect to the spatial extension of the chromophore.« less

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

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

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

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

Reduced complexity of multi-track joint 2-D Viterbi detectors for bit-patterned media recording channel

NASA Astrophysics Data System (ADS)

Myint, L. M. M.; Warisarn, C.

2017-05-01

Two-dimensional (2-D) interference is one of the prominent challenges in ultra-high density recording system such as bit patterned media recording (BPMR). The multi-track joint 2-D detection technique with the help of the array-head reading can tackle this problem effectively by jointly processing the multiple readback signals from the adjacent tracks. Moreover, it can robustly alleviate the impairments due to track mis-registration (TMR) and media noise. However, the computational complexity of such detectors is normally too high and hard to implement in a reality, even for a few multiple tracks. Therefore, in this paper, we mainly focus on reducing the complexity of multi-track joint 2-D Viterbi detector without paying a large penalty in terms of the performance. We propose a simplified multi-track joint 2-D Viterbi detector with a manageable complexity level for the BPMR's multi-track multi-head (MTMH) system. In the proposed method, the complexity of detector's trellis is reduced with the help of the joint-track equalization method which employs 1-D equalizers and 2-D generalized partial response (GPR) target. Moreover, we also examine the performance of a full-fledged multi-track joint 2-D detector and the conventional 2-D detection. The results show that the simplified detector can perform close to the full-fledge detector, especially when the system faces high media noise, with the significant low complexity.

Investigation of structural, morphological and electromagnetic properties of Mg0.25Mn0.25Zn0.5-xSrxFe2O4 ferrites

NASA Astrophysics Data System (ADS)

Rahaman, Md. D.; Nusrat, Tania; Maleque, Rumana; Hossain, A. K. M. Akther

2018-04-01

Polycrystalline Mg0.25Mn0.25Zn0.5-xSrxFe2O4 (0 ≤ x ≤ 0.20) ferrites were synthesized using the solid state reaction sintering at 1373 K and 1473 K for 4 h. The XRD patterns revealed the formation of single phase cubic spinel with Sr2FeO4 and SrFe12O19 as impurity phases. The decrement in the lattice parameter for Sr2+ substituted samples is attributed to the difference in ionic radii of cations. The crystallite size decreases with increase in Sr2+ content. Low frequency dielectric dispersion is attributed due to the Maxwell-Wagner interfacial polarization. The appearance of the peak in dielectric loss spectrum for x = 0.15 and 0.20 at 1373 K and x = 0.20 at 1473 K suggests the presence of relaxing dipoles. The loss peak shifts towards lower frequency side with Sr2+ content at 1373 K which is due to the strengthening of dipole-dipole interactions. The complex impedance spectra clearly revealed that the both grain and grain boundary effects on the electrical properties. A complex electric modulus spectrum indicates that a non-Debye type of conductivity relaxation exists. The saturation magnetization and remanence gradually decreases with Sr2+ substitution which may be due to the existence of non-magnetic phase in the space between the magnetic particles and the substitution of Zn2+ cation in Mg0.25Mn0.25Zn0.5Fe2O4 ferrite lattice by Sr2+ content. The permeability decreases significantly while the cut-off frequency increases with the Sr2+ content at 1373 K and decreases at 1473 K, obeying the Snoek's law. The decrease in permeability with Sr2+ content is attributed due to the decrease in magnetization because non-magnetic ions weaken the inter-site exchange interaction.

Analyzing the defect structure of CuO-doped PZT and KNN piezoelectrics from electron paramagnetic resonance.

PubMed

Jakes, Peter; Kungl, Hans; Schierholz, Roland; Eichel, Rüdiger-A

2014-09-01

The defect structure for copper-doped sodium potassium niobate (KNN) ferroelectrics has been analyzed with respect to its defect structure. In particular, the interplay between the mutually compensating dimeric (Cu(Nb)'''-V(O)··) and trimeric (V(O)··-Cu(Nb)'''-V(O)··)· defect complexes with 180° and non-180° domain walls has been analyzed and compared to the effects from (Cu'' - V(O)··)(x)× dipoles in CuO-doped lead zirconate titanate (PZT). Attempts are made to relate the rearrangement of defect complexes to macroscopic electromechanical properties.

SOFIRAD: France's International Commercial Media Empire.

ERIC Educational Resources Information Center

Boyd, Douglas A.; Benzies, John Y.

1983-01-01

Describes the activities of the Societe Financiere de Radiodiffusion (SOFIRAD), a government-owned corporation to promote political, cultural, and business interests via a complex network of media holdings. (PD)

Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

NASA Astrophysics Data System (ADS)

Felker, Peter M.; Bačić, Zlatko

2017-09-01

We present methodology for variational calculation of the 6 n -dimensional translation-rotation (TR) eigenstates of assemblies of n H2O@C60 moieties coupled by dipole-dipole interactions. We show that the TR Hamiltonian matrix for any n can be constructed from dipole-dipole matrix elements computed for n = 2 . We present results for linear H2O@C60 assemblies. Two classes of eigenstates are revealed. One class comprises excitations of the 111 rotational level of H2O. The lowest-energy 111 -derived eigenstate for each assembly exhibits significant dipole ordering and shifts down in energy with the assembly size.

Screened dipolar interactions in some molecular crystals

NASA Astrophysics Data System (ADS)

Munn, R. W.; Hurst, M.

1990-10-01

Screened dipole energies and dipole electric fields are calculated for the crystals of HCN, meta- and para-nitroaniline, the nonlinear optical compounds POM, MAP and DAN, meta-dinitrobenzene, and acetanilide. Only para-nitroaniline is centrosymmetric, but all the crystals have significant negative dipole energies (of the order of -20 kJ mol -1) except for POM and metadinitrobenzene, where they are positive but small in magnitude. Local dipole fields are of the order of 10 GV m -1. The results assume that surface charge annuls any macroscopic dipole field. It is speculated that the observed preponderance of centrosymmetric crystals of polar molecules may reflect a favourable dipole energy in the initial crystal nucleus rather than the macroscopic crystal.

Nanoscale shift of the intensity distribution of dipole radiation.

PubMed

Shu, Jie; Li, Xin; Arnoldus, Henk F

2009-02-01

The energy flow lines (field lines of the Poynting vector) for radiation emitted by a dipole are in general curves, rather than straight lines. For a linear dipole the field lines are straight, but when the dipole moment of a source rotates, the field lines wind numerous times around an axis, which is perpendicular to the plane of rotation, before asymptotically approaching a straight line. We consider an elliptical dipole moment, representing the most general state of oscillation, and this includes the linear dipole as a special case. Due to the spiraling near the source, for the case of a rotating dipole moment, the field lines in the far field are displaced with respect to the outward radial direction, and this leads to a shift of the intensity distribution of the radiation in the far field. This shift is shown to be independent of the distance to the source and, although of nanoscale dimension, should be experimentally observable.

Control of the diocotron instability of a hollow electron beam with periodic dipole magnets

DOE PAGES

Jo, Y. H.; Kim, J. S.; Stancari, G.; ...

2017-12-28

A method to control the diocotron instability of a hollow electron beam with peri-odic dipole magnetic fields has been investigated by a two-dimensional particle-in-cell simulation. At first, relations between the diocotron instability and several physical parameters such as the electron number density, current and shape of the electron beam, and the solenoidal field strength are theoretically analyzed without periodic dipole magnetic fields. Then, we study the effects of the periodic dipole magnetic fields on the diocotron instability using the two-dimensional particle-in-cell simulation. In the simulation, we considered the periodic dipole magnetic field applied along the propagation direction of the beam,more » as a temporally varying magnetic field in the beam frame. Lastly, a stabilizing effect is observed when the oscillating frequency of the dipole magnetic field is optimally chosen, which increases with the increasing amplitude of the dipole magnetic field.« less

Properties of the proterozoic geomagnetic field and geological applications of paleomagnetic data from rocks of the North American Midcontinent rift

NASA Astrophysics Data System (ADS)

Kulakov, Evgeniy V.

Rocks of the North American Midcontinent rift (MCR) exposed in the Lake Superior area provide an excellent opportunity to use paleomagnetism as a means of studying the characteristics of the Proterozoic geomagnetic field and the history of the rift itself. Detailed paleomagnetic and paleointensity studies of different rock units associated with the MCR, including the 1108 Ma alkaline Coldwell Complex (Ontario, Canada), the basaltic lava flows of the Geordie Lake (Ontario, Canada) and Silver Mountain (Upper Michigan, USA) that are assumed to be 1107-1108 Ma, the ˜1095 Ma lava flows of the Portage Lake Volcanics (PLV) (Keweenaw Peninsula, Michigan), and the ˜1088 Ma flows of the Lake Shore Traps (LST) (Keweenaw Peninsula, Michigan) are presented. Paleomagnetic data from the Coldwell Complex indicate that the apparent asymmetry of geomagnetic reversal, recorded by many Keweenawan rocks is an artifact due to fast equator-ward motion of the North American plate during the MCR evolution. The Coldwell Complex data support the validity of the geocentric axial dipole assumption for the ˜1.1 Ga. Extrusive rocks exposed on the Keweenaw Peninsula reveal similar to that of the present day geomagnetic field paleosecular variation. Samples from the ˜1088 Ma Lake Shore Traps yielded consistent paleofield values with a mean value of 26.3 +/- 4.7 μT, which corresponds to a virtual dipole moment of 5.9 +/- 1.1 x 10 22 Am2. The mean and range of paleofield values are similar to those of the recent Earth's magnetic field and incompatible with a "Proterozoic dipole low". These results are consistent with a modern type compositionally-driven geodynamo operating by the end of Mesoproterozoic. New high-quality paleomagnetic poles calculated for the ˜1108 Ma Coldwell Complex and coeval extrusive rocks, and ˜ 1094 Ma PLV indicate that North America was moving directly equator-ward with an approximately 20-25 cm/year rate between 1108 and 1094 Ma with a significant slowdown in motion between 1094 and 1088 Ma. This change in the plate tectonics regime coincides with a cessation of the MCR magmatism, which may indicate the beginning of renewed compression from the Grenville Front caused by continent-continent collision during the assemblage of the supercontinent Rodinia. New paleomagnetic data from the LST flows further confirm the idea of a primary nature of the MCR curvature in the Lake Superior area.

Hydrogen bonding interactions in PN...HX complexes: DFT and ab initio studies of structure, properties and topology.

PubMed

Varadwaj, Pradeep Risikrishna

2010-05-01

Spin-restricted DFT (X3LYP and B3LYP) and ab initio (MP2(fc) and CCSD(fc)) calculations in conjunction with the Aug-CC-pVDZ and Aug-CC-pVTZ basis sets were performed on a series of hydrogen bonded complexes PN...HX (X = F, Cl, Br) to examine the variations of their equilibrium gas phase structures, energetic stabilities, electronic properties, and vibrational characteristics in their electronic ground states. In all cases the complexes were predicted to be stable with respect to the constituent monomers. The interaction energy (Delta E) calculated using a super-molecular model is found to be in this order: PN...HF > PN...HCl > PN...HBr in the series examined. Analysis of various physically meaningful contributions arising from the Kitaura-Morokuma (KM) and reduced variational space self-consistent-field (RVS-SCF) energy decomposition procedures shows that the electrostatic energy has significant contribution to the over-all interaction energy. Dipole moment enhancement (Delta mu) was observed in these complexes expected of predominant dipole-dipole electrostatic interaction and was found to follow the trend PN...HF > PN...HCl > PN...HBr at the CCSD level. However, the DFT (X3LYP and B3LYP) and MP2 levels less accurately determined these values (in this order HF < HCl < HBr). Examination of the harmonic vibrational modes reveals that the PN and HX bands exhibit characteristic blue- and red shifts with concomitant bond contraction and elongation, respectively, on hydrogen bond formation. The topological or critical point (CP) analysis using the static quantum theory of atoms in molecules (QTAIM) of Bader was considered to classify and to gain further insight into the nature of interaction existing in the monomers PN and HX, and between them on H-bond formation. It is found from the analysis of the electron density rho ( c ), the Laplacian of electron charge density nabla(2)rho(c), and the total energy density (H ( c )) at the critical points between the interatomic regions that the interaction N...H is indeed electrostatic in origin (rho(c) > 0, nabla(2)rho(c) > 0 and H(c) > 0 at the BCP) whilst the bonds in PN (rho(c) > 0, nabla(2)rho(c) > 0 and H(c) < 0) and HX ((rho(c) > 0, nabla(2)rho(c) < 0 and H(c) < 0)) are predominantly covalent. A natural bond orbital (NBO) analysis of the second order perturbation energy lowering, E((2)), caused by charge transfer mechanism shows that the interaction N...H is n(N) --> BD*(HX) delocalization.

Calix[3]carbazole: A C3-symmetrical receptor for barium ion

NASA Astrophysics Data System (ADS)

Yang, Zhaozheng; Tian, Zhangmin; Yang, Peng; Deng, Tuo; Li, Gang; Zhou, Xue; Chen, Yan; Zhao, Liang; Shen, Hongyan

2017-03-01

The binding ability of calix[3]carbazole (1) to metal ions has been investigated. It is found that 1 could serve as a non crown ether based, C3-symmetrical receptor for Ba2 + via the marriage of cation-π and cation-dipole interactions. FID assay further illustrates that 1 could selectively interact with Ba2 + over Pd2 +. A possible binding mechanism for [1-Ba2 +] complex is proposed.

Tunable far infrared laser spectrometers

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

Blake, G.A.; Laughlin, K.B.; Cohen, R.C.

The state of the art in far infrared (FIR) spectroscopy is reviewed. The development of tunable, coherent FIR radiation sources is discussed. Applications of tunable FIR laser spectrometers for measurement of rotational spectra and dipole moments of molecular ions and free radicals, vibration-rotation-tunneling (VRT) spectra of weakly bound complexes, and vibration-rotation spectra of linear carbon clusters are presented. A detailed description of the Berkeley tunable FIR laser spectrometers is presented in the following article.

Field Distribution and Coupling Investigation of an Eight-Channel RF Coil Consisting of Different Dipole Coil Elements for 7 T MRI.

PubMed

Chen, Zhichao; Solbach, Klaus; Erni, Daniel; Rennings, Andreas

2017-06-01

In this contribution, we investigate the [Formula: see text] distribution and coupling characteristics of a multichannel radio frequency (RF) coil consisting of different dipole coil elements for 7 T MRI, and explore the feasibility to achieve a compromise between field distribution and decoupling by combining different coil elements. Two types of dipole elements are considered here: the meander dipole element with a chip-capacitor-based connection to the RF shield which achieves a sufficient decoupling between the neighboring elements; and the open-ended meander dipole element which exhibits a broader magnetic field distribution. By nesting the open-ended dipole elements in between the ones with end-capacitors, the [Formula: see text] distribution, in terms of field penetration depth and homogeneity, is improved in comparison to the dipole coil consisting only of the elements with end-capacitors, and at the same time, the adjacent elements are less coupled to each other in comparison to the dipole coil consisting only of the open-ended elements. The proposed approach is validated by both full-wave simulation and experimental results.

Dipole oscillator strength distributions with improved high-energy behavior: Dipole sum rules and dispersion coefficients for Ne, Ar, Kr, and Xe revisited

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Thakkar, Ajit J.

2010-02-01

The construction of the dipole oscillator strength distribution (DOSD) from theoretical and experimental photoabsorption cross sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and molar refractivity data is a well-established technique that has been successfully applied to more than 50 species. Such DOSDs are insufficiently accurate at large photon energies. A novel iterative procedure is developed that rectifies this deficiency by using the high-energy asymptotic behavior of the dipole oscillator strength density as an additional constraint. Pilot applications are made for the neon, argon, krypton, and xenon atoms. The resulting DOSDs improve the agreement of the predicted S2 and S1 sum rules with ab initio calculations while preserving the accuracy of the remainder of the moments. Our DOSDs exploit new and more accurate experimental data. Improved estimates of dipole properties for these four atoms and of dipole-dipole C6 and triple-dipole C9 dispersion coefficients for the interactions among them are reported.

Diagnostics of the Fermilab Tevatron using an AC dipole

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

Miyamoto, Ryoichi

2008-08-01

The Fermilab Tevatron is currently the world's highest energy colliding beam facility. Its counter-rotating proton and antiproton beams collide at 2 TeV center-of-mass. Delivery of such intense beam fluxes to experiments has required improved knowledge of the Tevatron's beam optical lattice. An oscillating dipole magnet, referred to as an AC dipole, is one of such a tool to non-destructively assess the optical properties of the synchrotron. We discusses development of an AC dipole system for the Tevatron, a fast-oscillating (f ~ 20 kHz) dipole magnet which can be adiabatically turned on and off to establish sustained coherent oscillations of themore » beam particles without affecting the transverse emittance. By utilizing an existing magnet and a higher power audio amplifier, the cost of the Tevatron AC dipole system became relatively inexpensive. We discuss corrections which must be applied to the driven oscillation measurements to obtain the proper interpretation of beam optical parameters from AC dipole studies. After successful operations of the Tevatron AC dipole system, AC dipole systems, similar to that in the Tevatron, will be build for the CERN LHC. We present several measurements of linear optical parameters (beta function and phase advance) for the Tevatron, as well as studies of non-linear perturbations from sextupole and octupole elements.« less

Variations in the geomagnetic dipole moment during the Holocene and the past 50 kyr

NASA Astrophysics Data System (ADS)

Knudsen, Mads Faurschou; Riisager, Peter; Donadini, Fabio; Snowball, Ian; Muscheler, Raimund; Korhonen, Kimmo; Pesonen, Lauri J.

2008-07-01

All absolute paleointensity data published in peer-reviewed journals were recently compiled in the GEOMAGIA50 database. Based on the information in GEOMAGIA50, we reconstruct variations in the geomagnetic dipole moment over the past 50 kyr, with a focus on the Holocene period. A running-window approach is used to determine the axial dipole moment that provides the optimal least-squares fit to the paleointensity data, whereas associated error estimates are constrained using a bootstrap procedure. We subsequently compare the reconstruction from this study with previous reconstructions of the geomagnetic dipole moment, including those based on cosmogenic radionuclides ( 10Be and 14C). This comparison generally lends support to the axial dipole moments obtained in this study. Our reconstruction shows that the evolution of the dipole moment was highly dynamic, and the recently observed rates of change (5% per century) do not appear unique. We observe no apparent link between the occurrence of archeomagnetic jerks and changes in the geomagnetic dipole moment, suggesting that archeomagnetic jerks most likely represent drastic changes in the orientation of the geomagnetic dipole axis or periods characterized by large secular variation of the non-dipole field. This study also shows that the Holocene geomagnetic dipole moment was high compared to that of the preceding ˜ 40 kyr, and that ˜ 4 · 10 22 Am 2 appears to represent a critical threshold below which geomagnetic excursions and reversals occur.

New approaches to the analysis of complex samples using fluorescence lifetime techniques and organized media

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

Hertz, P.R.

Fluorescence spectroscopy is a highly sensitive and selective tool for the analysis of complex systems. In order to investigate the efficacy of several steady state and dynamic techniques for the analysis of complex systems, this work focuses on two types of complex, multicomponent samples: petrolatums and coal liquids. It is shown in these studies dynamic, fluorescence lifetime-based measurements provide enhanced discrimination between complex petrolatum samples. Additionally, improved quantitative analysis of multicomponent systems is demonstrated via incorporation of organized media in coal liquid samples. This research provides the first systematic studies of (1) multifrequency phase-resolved fluorescence spectroscopy for dynamic fluorescence spectralmore » fingerprinting of complex samples, and (2) the incorporation of bile salt micellar media to improve accuracy and sensitivity for characterization of complex systems. In the petroleum studies, phase-resolved fluorescence spectroscopy is used to combine spectral and lifetime information through the measurement of phase-resolved fluorescence intensity. The intensity is collected as a function of excitation and emission wavelengths, angular modulation frequency, and detector phase angle. This multidimensional information enhances the ability to distinguish between complex samples with similar spectral characteristics. Examination of the eigenvalues and eigenvectors from factor analysis of phase-resolved and steady state excitation-emission matrices, using chemometric methods of data analysis, confirms that phase-resolved fluorescence techniques offer improved discrimination between complex samples as compared with conventional steady state methods.« less

Improvement of solar-cycle prediction: Plateau of solar axial dipole moment

NASA Astrophysics Data System (ADS)

Iijima, H.; Hotta, H.; Imada, S.; Kusano, K.; Shiota, D.

2017-11-01

Aims: We report the small temporal variation of the axial dipole moment near the solar minimum and its application to the solar-cycle prediction by the surface flux transport (SFT) model. Methods: We measure the axial dipole moment using the photospheric synoptic magnetogram observed by the Wilcox Solar Observatory (WSO), the ESA/NASA Solar and Heliospheric Observatory Michelson Doppler Imager (MDI), and the NASA Solar Dynamics Observatory Helioseismic and Magnetic Imager (HMI). We also use the SFT model for the interpretation and prediction of the observed axial dipole moment. Results: We find that the observed axial dipole moment becomes approximately constant during the period of several years before each cycle minimum, which we call the axial dipole moment plateau. The cross-equatorial magnetic flux transport is found to be small during the period, although a significant number of sunspots are still emerging. The results indicate that the newly emerged magnetic flux does not contribute to the build up of the axial dipole moment near the end of each cycle. This is confirmed by showing that the time variation of the observed axial dipole moment agrees well with that predicted by the SFT model without introducing new emergence of magnetic flux. These results allow us to predict the axial dipole moment at the Cycle 24/25 minimum using the SFT model without introducing new flux emergence. The predicted axial dipole moment at the Cycle 24/25 minimum is 60-80 percent of Cycle 23/24 minimum, which suggests the amplitude of Cycle 25 is even weaker than the current Cycle 24. Conclusions: The plateau of the solar axial dipole moment is an important feature for the longer-term prediction of the solar cycle based on the SFT model.

Real-Time Localization of Moving Dipole Sources for Tracking Multiple Free-Swimming Weakly Electric Fish

PubMed Central

Jun, James Jaeyoon; Longtin, André; Maler, Leonard

2013-01-01

In order to survive, animals must quickly and accurately locate prey, predators, and conspecifics using the signals they generate. The signal source location can be estimated using multiple detectors and the inverse relationship between the received signal intensity (RSI) and the distance, but difficulty of the source localization increases if there is an additional dependence on the orientation of a signal source. In such cases, the signal source could be approximated as an ideal dipole for simplification. Based on a theoretical model, the RSI can be directly predicted from a known dipole location; but estimating a dipole location from RSIs has no direct analytical solution. Here, we propose an efficient solution to the dipole localization problem by using a lookup table (LUT) to store RSIs predicted by our theoretically derived dipole model at many possible dipole positions and orientations. For a given set of RSIs measured at multiple detectors, our algorithm found a dipole location having the closest matching normalized RSIs from the LUT, and further refined the location at higher resolution. Studying the natural behavior of weakly electric fish (WEF) requires efficiently computing their location and the temporal pattern of their electric signals over extended periods. Our dipole localization method was successfully applied to track single or multiple freely swimming WEF in shallow water in real-time, as each fish could be closely approximated by an ideal current dipole in two dimensions. Our optimized search algorithm found the animal’s positions, orientations, and tail-bending angles quickly and accurately under various conditions, without the need for calibrating individual-specific parameters. Our dipole localization method is directly applicable to studying the role of active sensing during spatial navigation, or social interactions between multiple WEF. Furthermore, our method could be extended to other application areas involving dipole source localization. PMID:23805244

Crystal structures, DFT calculations, and Hirshfeld surface analyses of two new copper(II) and nickel(II) Schiff base complexes derived from meso-1,2-diphenyl-1,2-ethylenediamine

NASA Astrophysics Data System (ADS)

Seifikar Ghomi, Leila; Behzad, Mahdi; Tarahhomi, Atekeh; Arab, Ali

2017-12-01

Two new Ni(II) and Cu(II) complexes of a tetradentate Schiff base ligand (1 and 2, respectively), derived from the condensation of meso-1,2-diphenyl-1,2-ethylenediamine with 2-hydroxy-6-methoxy benzaldehyde, were synthesized and characterized by IR, UV-Vis, 1H NMR spectroscopy, and X-Ray crystallography. The central metal ions in both complexes are coordinated via the N2O2 coordination sphere of the ligand with square-planar geometry. DFT results revealed that the Msbnd N and Msbnd O interactions (M = Ni, Cu) are weaker than the typical covalent single bond indicating that ionic and electrostatic interactions are dominated in Msbnd N and Msbnd O bonds. Hirshfeld surface (HS) analyses of the studied structures 1 and 2 have been performed. The study using 3D HSs and 2D fingerprint plots (FPs) highlighted the dominant contacts H⋯H, C⋯H/H⋯C and O⋯H/H⋯O in both structures, and H⋯Cl in 2. The molecular assemblies held by C⋯O/O⋯C (in 1) and C⋯C (in 1 and 2) type dipole-dipole interactions are also found in the crystal packing contributing towards stability. The significant contributions arising from the mentioned interactions in crystal packing are also revealed from the Hirshfeld surface FPs showing a major contribution to total HS area for the H⋯H contacts for both structures.

Dynamics of dipole- and valence bound anions in iodide-adenine binary complexes: A time-resolved photoelectron imaging and quantum mechanical investigation

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

Stephansen, Anne B.; King, Sarah B.; Li, Wei-Li

2015-09-14

Dipole bound (DB) and valence bound (VB) anions of binary iodide-adenine complexes have been studied using one-color and time-resolved photoelectron imaging at excitation energies near the vertical detachment energy. The experiments are complemented by quantum chemical calculations. One-color spectra show evidence for two adenine tautomers, the canonical, biologically relevant A9 tautomer and the A3 tautomer. In the UV-pump/IR-probe time-resolved experiments, transient adenine anions can be formed by electron transfer from the iodide. These experiments show signals from both DB and VB states of adenine anions formed on femto- and picosecond time scales, respectively. Analysis of the spectra and comparison withmore » calculations suggest that while both the A9 and A3 tautomers contribute to the DB signal, only the DB state of the A3 tautomer undergoes a transition to the VB anion. The VB anion of A9 is higher in energy than both the DB anion and the neutral, and the VB anion is therefore not accessible through the DB state. Experimental evidence of the metastable A9 VB anion is instead observed as a shape resonance in the one-color photoelectron spectra, as a result of UV absorption by A9 and subsequent electron transfer from iodide into the empty π-orbital. In contrast, the iodide-A3 complex constitutes an excellent example of how DB states can act as doorway state for VB anion formation when the VB state is energetically available.« less

Near-field polarization distribution of Si nanoparticles near substrate

NASA Astrophysics Data System (ADS)

Reshetov, S. A.; Vladimirova, Yu. V.; Gevorkian, L. P.; Zadkov, V. N.

2017-01-01

Structure of the near-field intensity and polarization distributions, the latter is described with the generalized 3D Stokes parameters, of a spherical Si subwavelength nanoparticle in a non-magnetic and non-absorbing media near a dielectric substrate has been studied in detail with the help of the Mie theory and an extension of the Weyl's method for the calculation of the reflection of dipole radiation by a flat surface. It is shown that for the nanoparticle near the substrate the interference effects due to the scattering by the nanoparticle and interaction with the substrate play an essential role. We also demonstrate how these effects depend on the dielectric properties of the nanoparticle, its size, distance to the substrate as well as on the polarization, wavelength and incident angle of the external light field.

Spectrophotometric and spectroscopic studies of charge transfer complex of 1-Naphthylamine as an electron donor with picric acid as an electron acceptor in different polar solvents

NASA Astrophysics Data System (ADS)

Singh, Neeti; Ahmad, Afaq

2010-08-01

The charge transfer complex of 1-Naphthylamine as a donor with π-acceptor picric acid has been studied spectrophotometrically in different solvents at room temperature. The results indicate that the formation of charge transfer complex is high in less polar solvent. The stoichiometry of the complex was found to be 1:1 by straight line method. The data are analysed in terms of formation constant ( KCT), molar extinction coefficient ( ɛCT), standard free energy (Δ G o), oscillator strength ( ƒ), transition dipole moment ( μ EN), resonance energy ( R N) and ionization potential ( I D). It is concluded that the formation constant ( KCT) of the complex is found to be depends upon the nature of both electron acceptor and donor and also on the polarity of solvents. Further the charge transfer molecular complex between picric acid and 1-Naphthylamine is stabilized by hydrogen bonding.

2.5D complex resistivity modeling and inversion using unstructured grids

NASA Astrophysics Data System (ADS)

Xu, Kaijun; Sun, Jie

2016-04-01

The characteristic of complex resistivity on rock and ore has been recognized by people for a long time. Generally we have used the Cole-Cole Model(CCM) to describe complex resistivity. It has been proved that the electrical anomaly of geologic body can be quantitative estimated by CCM parameters such as direct resistivity(ρ0), chargeability(m), time constant(τ) and frequency dependence(c). Thus it is very important to obtain the complex parameters of geologic body. It is difficult to approximate complex structures and terrain using traditional rectangular grid. In order to enhance the numerical accuracy and rationality of modeling and inversion, we use an adaptive finite-element algorithm for forward modeling of the frequency-domain 2.5D complex resistivity and implement the conjugate gradient algorithm in the inversion of 2.5D complex resistivity. An adaptive finite element method is applied for solving the 2.5D complex resistivity forward modeling of horizontal electric dipole source. First of all, the CCM is introduced into the Maxwell's equations to calculate the complex resistivity electromagnetic fields. Next, the pseudo delta function is used to distribute electric dipole source. Then the electromagnetic fields can be expressed in terms of the primary fields caused by layered structure and the secondary fields caused by inhomogeneities anomalous conductivity. At last, we calculated the electromagnetic fields response of complex geoelectric structures such as anticline, syncline, fault. The modeling results show that adaptive finite-element methods can automatically improve mesh generation and simulate complex geoelectric models using unstructured grids. The 2.5D complex resistivity invertion is implemented based the conjugate gradient algorithm.The conjugate gradient algorithm doesn't need to compute the sensitivity matrix but directly computes the sensitivity matrix or its transpose multiplying vector. In addition, the inversion target zones are segmented with fine grids and the background zones are segmented with big grid, the method can reduce the grid amounts of inversion, it is very helpful to improve the computational efficiency. The inversion results verify the validity and stability of conjugate gradient inversion algorithm. The results of theoretical calculation indicate that the modeling and inversion of 2.5D complex resistivity using unstructured grids are feasible. Using unstructured grids can improve the accuracy of modeling, but the large number of grids inversion is extremely time-consuming, so the parallel computation for the inversion is necessary. Acknowledgments: We thank to the support of the National Natural Science Foundation of China(41304094).

The Interplay Between Digital Media Use and Development.

PubMed

Gerwin, Roslyn L; Kaliebe, Kristopher; Daigle, Monica

2018-04-01

Today's youth develop immersed in a digital media world and the effects are specific to their developmental stage. Clinicians and caretakers should be mindful regarding digital media use patterns; however, this complex and reciprocal relationship defies simple linear descriptions. The impacts of digital media can be powerful. It is important to be cautious but not over-pathologize media use because digital media enables social connections, allows self-soothing in some children, and fills needs for stimulation and self-expression. Young children or those with psychiatric disorders or developmental delays should be considered vulnerable to harmful effects of media content and overuse. Copyright © 2017. Published by Elsevier Inc.

"Choose, Explore, Analyze": A Multi-Tiered Approach to Social Media in the Classroom

ERIC Educational Resources Information Center

Rosatelli, Meghan

2015-01-01

In this essay, social media are presented as complex tools that require student involvement from potential classroom implementation to the post-mortem. The "choose, explore, analyze" approach narrows social media options for the classroom based on student feedback and allows students and teachers to work together to understand why and…

Delineation of taxonomic species within complex of species: Aeromonas media and related species as a test case

USDA-ARS?s Scientific Manuscript database

Aeromonas media is an opportunistic pathogen for human and animals mainly found in aquatic habitats and which has been noted for significant genomic and phenotypic heterogeneities. We aimed to better understand the population structure and diversity of strains currently affiliated to A. media and th...

ARS-Media: A spreadsheet tool for calculating media recipes based on ion-specific constraints

USDA-ARS?s Scientific Manuscript database

ARS-Media is an ion solution calculator that uses Microsoft Excel to generate recipes of salts for complex ion mixtures specified by the user. Generating salt combinations (recipes) that result in pre-specified target ion values is a linear programming problem. Thus, the recipes are generated using ...

Evaluating the Effectiveness of a Mass Media Ethics Course.

ERIC Educational Resources Information Center

Lee, Byung; Padgett, George

2000-01-01

Examines the effectiveness of an ethics education component in a media law and ethics course. Suggests that a short-term mass media ethics study could not develop values considered essential for ethical behavior. Argues that students developed more complexity in their reasoning not measurable by the scale. Suggests a course or module on ethics…

Studying Young People's New Media Use: Methodological Shifts and Educational Innovations

ERIC Educational Resources Information Center

Pascoe, C. J.

2012-01-01

A lack of good information about what youth are doing with new media stimulates fears and hopes about the relationship between young people and digital technologies. This article focuses on new modes of inquiry into youth new media use, highlighting the challenges, complexities, and opportunities inherent in studying young people's digital…

Algorithm for Automatic Detection, Localization and Characterization of Magnetic Dipole Targets Using the Laser Scalar Gradiometer

DTIC Science & Technology

2016-06-01

TECHNICAL REPORT Algorithm for Automatic Detection, Localization and Characterization of Magnetic Dipole Targets Using the Laser Scalar...Automatic Detection, Localization and Characterization of Magnetic Dipole Targets Using the Laser Scalar Gradiometer Leon Vaizer, Jesse Angle, Neil...of Magnetic Dipole Targets Using LSG i June 2016 TABLE OF CONTENTS INTRODUCTION

Temperature coefficient of the dipole moment of poly(4-chlorostyrene, 4-methylstyrene) copolymers in benzene solutions

NASA Astrophysics Data System (ADS)

Mashimo, S.; Nozaki, R.; Work, R. N.

1982-09-01

Mean square values of the dipole moments of poly(4-chlorostyrene) and copolymers of poly(4-chlorostyrene, 4-methylstyrene) have been determined at up to five different temperatures. There is a significant positive temperature coefficient of the mean square dipole moment. Curves of the dipole moments and of the slopes, normalized to unity at P4CS, have essentially the same shapes. The copolymers in benzene solutions lead to values of the mean square dipole moments that are about 20% larger than measurements in p-xylene.

Methods for Room Acoustic Analysis and Synthesis using a Monopole-Dipole Microphone Array

NASA Technical Reports Server (NTRS)

Abel, J. S.; Begault, Durand R.; Null, Cynthia H. (Technical Monitor)

1998-01-01

In recent work, a microphone array consisting of an omnidirectional microphone and colocated dipole microphones having orthogonally aligned dipole axes was used to examine the directional nature of a room impulse response. The arrival of significant reflections was indicated by peaks in the power of the omnidirectional microphone response; reflection direction of arrival was revealed by comparing zero-lag crosscorrelations between the omnidirectional response and the dipole responses to the omnidirectional response power to estimate arrival direction cosines with respect to the dipole axes.

BKT phase transition in a 2D system with long-range dipole-dipole interaction

NASA Astrophysics Data System (ADS)

Fedichev, P. O.; Men'shikov, L. I.

2012-01-01

We consider phase transitions in 2D XY-like systems with long-range dipole-dipole interactions and demonstrate that BKT-type phase transition always occurs separating the ordered (ferroelectric) and the disordered (paraelectric) phases. The low-temperature phase corresponds to a thermal state with bound vortex-antivortex pairs characterized by linear attraction at large distances. Using the Maier-Schwabl topological charge model, we show that bound vortex pairs polarize and screen the vortex-antivortex interaction, leaving only the logarithmic attraction at sufficiently large separations between the vortices. At higher temperatures the pairs dissociate and the phase transition similar to BKT occurs, though at a larger temperature than in a system without the dipole-dipole interaction.

Current induced incoherent magnetization dynamics in ferromagnetic/non-magnetic metallic multilayer nanowires

NASA Astrophysics Data System (ADS)

Al-Rashid, Md Mamun; Maqableh, Mazin; Stadler, Bethanie; Atulasimha, Jayasimha

High density arrays of electrodeposited nanowires consisting of ferromagnetic/non-magnetic (Co/Cu) multilayers are promising as magnetic memory devices. For individual nanowires containing multiple (Co/Cu) bilayers, the stable magnetization orientations of the Co layers (with respect to each other and the nanowire axis) are dependent on the Cu layer thickness, even when the Co layer dimensions are fixed. This dependence is a result of the competition between shape anisotropy, magneto-crystalline anisotropy and intra-wire dipole coupling. However, when the nanowires are closely packed in arrays, inter-wire dipole coupling can result in complex and tunable domain structures comprising segments of multiple nanowires. This work explores the dependence of these domain structures and their switching on the non-magnetic layer thickness and intra-wire spacing both experimentally and via rigorous micromagnetic simulation. These domain structures play a crucial role in determining the current and time required for STT switching. NSF CAREER Grant CCF-1253370.

Broadband electromagnetic dipole scattering by coupled multiple nanospheres

NASA Astrophysics Data System (ADS)

Jing, Xufeng; Ye, Qiufeng; Hong, Zhi; Zhu, Dongshuo; Shi, Guohua

2017-11-01

With the development of nanotechnology, the ability to manipulate light at the nanoscale is critical to future optical functional devices. The use of high refractive index dielectric single silicon nanoparticle can achieve electromagnetic dipole resonant properties. Compared with single nanosphere, the use of dimer and trimer introduces an additional dimension (gap size) for improving the performance of dielectric optical devices through the coupling between closely connected silicon nanospheres. When changing the gap size between the nanospheres, the interaction between the particles can be from weak to strong. Compared with single nanospheres, dimerized or trimeric nanospheres exhibit more pronounced broadband scattering properties. In addition, by introducing more complex interaction, the trimericed silicon nanospheres exhibit a more significant increase in bandwidth than expected. In addition, the presence of the substrate will also contribute to the increase in the bandwidth of the nanospheres. The broadband response in dielectric nanostructures can be effectively applied to broadband applications such as dielectric nanoantennas or solar cells.

Shape of the terrestrial plasma sheet in the near-Earth magnetospheric tail as imaged by the Interstellar Boundary Explorer

DOE PAGES

Dayeh, M. A.; Fuselier, S. A.; Funsten, H. O.; ...

2015-04-11

We present remote, continuous observations from the Interstellar Boundary Explorer of the terrestrial plasma sheet location back to -16 Earth radii (R E) in the magnetospheric tail using energetic neutral atom emissions. The time period studied includes two orbits near the winter and summer solstices, thus associated with large negative and positive dipole tilt, respectively. Continuous side-view images reveal a complex shape that is dominated mainly by large-scale warping due to the diurnal motion of the dipole axis. Superposed on the global warped geometry are short-time fluctuations in plasma sheet location that appear to be consistent with plasma sheet flappingmore » and possibly twisting due to changes in the interplanetary conditions. We conclude that the plasma sheet warping due to the diurnal motion dominates the average shape of the plasma sheet. Over short times, the position of the plasma sheet can be dominated by twisting and flapping.« less

Intrinsic Enhancement of Dielectric Permittivity in (Nb + In) co-doped TiO2 single crystals.

PubMed

Kawarasaki, Masaru; Tanabe, Kenji; Terasaki, Ichiro; Fujii, Yasuhiro; Taniguchi, Hiroki

2017-07-13

The development of dielectric materials with colossal permittivity is important for the miniaturization of electronic devices and fabrication of high-density energy-storage devices. The electron-pinned defect-dipoles has been recently proposed to boost the permittivity of (Nb + In) co-doped TiO 2 to 10 5 . However, the follow-up studies suggest an extrinsic contribution to the colossal permittivity from thermally excited carriers. Herein, we demonstrate a marked enhancement in the permittivity of (Nb + In) co-doped TiO 2 single crystals at sufficiently low temperatures such that the thermally excited carriers are frozen out and exert no influence on the dielectric response. The results indicate that the permittivity attains quadruple of that for pure TiO 2 . This finding suggests that the electron-pinned defect-dipoles add an extra dielectric response to that of the TiO 2 host matrix. The results offer a novel approach for the development of functional dielectric materials with large permittivity by engineering complex defects into bulk materials.

Tackling the challenge of selective analytical clean-up of complex natural extracts: the curious case of chlorophyll removal.

PubMed

Bijttebier, Sebastiaan; D'Hondt, Els; Noten, Bart; Hermans, Nina; Apers, Sandra; Voorspoels, Stefan

2014-11-15

Alkaline saponification is often used to remove interfering chlorophylls and lipids during carotenoids analysis. However, saponification also hydrolyses esterified carotenoids and is known to induce artifacts. To avoid carotenoid artifact formation during saponification, Larsen and Christensen (2005) developed a gentler and simpler analytical clean-up procedure involving the use of a strong basic resin (Ambersep 900 OH). They hypothesised a saponification mechanism based on their Liquid Chromatography-Photodiode Array (LC-PDA) data. In the present study, we show with LC-PDA-accurate mass-Mass Spectrometry that the main chlorophyll removal mechanism is not based on saponification, apolar adsorption or anion exchange, but most probably an adsorption mechanism caused by H-bonds and dipole-dipole interactions. We showed experimentally that esterified carotenoids and glycerolipids were not removed, indicating a much more selective mechanism than initially hypothesised. This opens new research opportunities towards a much wider scope of applications (e.g. the refinement of oils rich in phytochemical content). Copyright © 2014 Elsevier Ltd. All rights reserved.

Split-orientation-modulated plasmon coupling in disk/sector dimers

NASA Astrophysics Data System (ADS)

Zhu, Xupeng; Chen, Yiqin; Shi, Huimin; Zhang, Shi; Liu, Quanhui; Duan, Huigao

2017-06-01

The coupled asymmetric plasmonic nanostructures allow more compact nanophotonics integration and easier optical control in practical applications, such as directional scattering and near-field control. Here, we carried out a systematic and in-depth study on the plasmonic coupling of an asymmetric gold disk/sector dimer, and investigated the light-matter interaction in such an asymmetric coupled complex nanostructures. The results demonstrated that the positions and the intensity of plasmon resonance peak as well as the spatial distribution of electric fields around the surface in the coupled disk/sector dimer can be tuned by changing the azimuth angle of the gold sector. Based on Simpson-Peterson approximation, we proposed a model to understand the obtained plasmon properties of asymmetric coupled disk/sector dimers by introducing an offset parameter between the geometry center and dipole center of the sector. The experimental results agree well with the simulations. Our study provides an insight to tune the plasmon coupling behavior via adjusting the plasmon dipole center position in coupling systems.

Precision determination of electron scattering angle by differential nuclear recoil energy method

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

Liyanage, N.; Saenboonruang, K.

2015-12-01

The accurate determination of the scattered electron angle is crucial to electron scattering experiments, both with open-geometry large-acceptance spectrometers and ones with dipole-type magnetic spectrometers for electron detection. In particular, for small central-angle experiments using dipole-type magnetic spectrometers, in which surveys are used to measure the spectrometer angle with respect to the primary electron beam, the importance of the scattering angle determination is emphasized. However, given the complexities of large experiments and spectrometers, the accuracy of such surveys is limited and insufficient to meet demands of some experiments. In this article, we present a new technique for determination of themore » electron scattering angle based on an accurate measurement of the primary beam energy and the principle of differential nuclear recoil. This technique was used to determine the scattering angle for several experiments carried out at the Experimental Hall A, Jefferson Lab. Results have shown that the new technique greatly improved the accuracy of the angle determination compared to surveys.« less

Precision Determination of Electron Scattering Angle by Differential Nuclear Recoil Energy Method

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

Liyanage, Nilanga; Saenboonruang, Kiadtisak

2015-09-01

The accurate determination of the scattered electron angle is crucial to electron scattering experiments, both with open-geometry large-acceptance spectrometers and ones with dipole-type magnetic spectrometers for electron detection. In particular, for small central-angle experiments using dipole-type magnetic spectrometers, in which surveys are used to measure the spectrometer angle with respect to the primary electron beam, the importance of the scattering angle determination is emphasized. However, given the complexities of large experiments and spectrometers, the accuracy of such surveys is limited and insufficient to meet demands of some experiments. In this article, we present a new technique for determination of themore » electron scattering angle based on an accurate measurement of the primary beam energy and the principle of differential nuclear recoil. This technique was used to determine the scattering angle for several experiments carried out at the Experimental Hall A, Jefferson Lab. Results have shown that the new technique greatly improved the accuracy of the angle determination compared to surveys.« less

The effects of Bi4Ti3O12 interfacial ferroelectric layer on the dielectric properties of Au/n-Si structures

NASA Astrophysics Data System (ADS)

Gökçen, Muharrem; Yıldırım, Mert

2015-06-01

Au/n-Si metal-semiconductor (MS) and Au/Bi4Ti3O12/n-Si metal-ferroelectric-semiconductor (MFS) structures were fabricated and admittance measurements were held between 5 kHz and 1 MHz at room temperature so that dielectric properties of these structures could be investigated. The ferroelectric interfacial layer Bi4Ti3O12 decreased the polarization voltage by providing permanent dipoles at metal/semiconductor interface. Depending on different mechanisms, dispersion behavior was observed in dielectric constant, dielectric loss and loss tangent versus bias voltage plots of both MS and MFS structures. The real and imaginary parts of complex modulus of MFS structure take smaller values than those of MS structure, because permanent dipoles in ferroelectric layer cause a large spontaneous polarization mechanism. While the dispersion in AC conductivity versus frequency plots of MS structure was observed at high frequencies, for MFS structure it was observed at lower frequencies.

Dithiocarbamate Self-Assembled Monolayers as Efficient Surface Modifiers for Low Work Function Noble Metals

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

Meyer, Dominik; Schäfer, Tobias; Schulz, Philip

2016-09-06

Tuning the work function of the electrode is one of the crucial steps to improve charge extraction in organic electronic devices. Here, we show that N,N-dialkyl dithiocarbamates (DTC) can be effectively employed to produce low work function noble metal electrodes. Work functions between 3.1 and 3.5 eV are observed for all metals investigated (Cu, Ag, and Au). Ultraviolet photoemission spectroscopy (UPS) reveals a maximum decrease in work function by 2.1 eV as compared to the bare metal surface. Electronic structure calculations elucidate how the complex interplay between intrinsic dipoles and dipoles induced by bond formation generates such large work functionmore » shifts. Subsequently, we quantify the improvement in contact resistance of organic thin film transistor devices with DTC coated source and drain electrodes. These findings demonstrate that DTC molecules can be employed as universal surface modifiers to produce stable electrodes for electron injection in high performance hybrid organic optoelectronics.« less

A fluorescence anisotropy method for measuring protein concentration in complex cell culture media.

PubMed

Groza, Radu Constantin; Calvet, Amandine; Ryder, Alan G

2014-04-22

The rapid, quantitative analysis of the complex cell culture media used in biopharmaceutical manufacturing is of critical importance. Requirements for cell culture media composition profiling, or changes in specific analyte concentrations (e.g. amino acids in the media or product protein in the bioprocess broth) often necessitate the use of complicated analytical methods and extensive sample handling. Rapid spectroscopic methods like multi-dimensional fluorescence (MDF) spectroscopy have been successfully applied for the routine determination of compositional changes in cell culture media and bioprocess broths. Quantifying macromolecules in cell culture media is a specific challenge as there is a need to implement measurements rapidly on the prepared media. However, the use of standard fluorescence spectroscopy is complicated by the emission overlap from many media components. Here, we demonstrate how combining anisotropy measurements with standard total synchronous fluorescence spectroscopy (TSFS) provides a rapid, accurate quantitation method for cell culture media. Anisotropy provides emission resolution between large and small fluorophores while TSFS provides a robust measurement space. Model cell culture media was prepared using yeastolate (2.5 mg mL(-1)) spiked with bovine serum albumin (0 to 5 mg mL(-1)). Using this method, protein emission is clearly discriminated from background yeastolate emission, allowing for accurate bovine serum albumin (BSA) quantification over a 0.1 to 4.0 mg mL(-1) range with a limit of detection (LOD) of 13.8 μg mL(-1). Copyright © 2014. Published by Elsevier B.V.

Utilizing media arts principles for developing effective interactive neurorehabilitation systems.

PubMed

Rikakis, Thanassis

2011-01-01

This paper discusses how interactive neurorehabilitation systems can increase their effectiveness through systematic integration of media arts principles and practice. Media arts expertise can foster the development of complex yet intuitive extrinsic feedback displays that match the inherent complexity and intuitive nature of motor learning. Abstract, arts-based feedback displays can be powerful metaphors that provide re-contextualization, engagement and appropriate reward mechanisms for mature adults. Such virtual feedback displays must be seamlessly integrated with physical components to produce mixed reality training environments that promote active, generalizable learning. The proposed approaches are illustrated through examples from mixed reality rehabilitation systems developed by our team.

Reflection and Refraction of Light in Absorbing Media

NASA Astrophysics Data System (ADS)

Katsumata, Koichi; Sasaki, Shosuke

2018-05-01

The results of a rigorous calculation of optical phenomena in absorbing media based on Maxwell's equations are reported. In the case of an absorbing dielectric, we assume a complex dielectric constant. We find an expression for the angle of refraction as a function of the incident angle and the real and imaginary parts of the complex dielectric constant, all of which are real. The amplitudes of the reflected and transmitted waves are calculated on the same footing. These amplitudes are shown to be complex, from which we deduce the magnitude and phase change of the reflection and transmission coefficients. The same argument applies to an absorbing magnetic material if we replace the complex dielectric constant by a complex magnetic permeability.

Spontaneous and Directional Bubble Transport on Porous Copper Wires with Complex Shapes in Aqueous Media.

PubMed

Li, Wenjing; Zhang, Jingjing; Xue, Zhongxin; Wang, Jingming; Jiang, Lei

2018-01-24

Manipulation of gas bubble behaviors is crucial for gas bubble-related applications. Generally, the manipulation of gas bubble behaviors generally takes advantage of their buoyancy force. It is very difficult to control the transportation of gas bubbles in a specific direction. Several approaches have been developed to collect and transport bubbles in aqueous media; however, most reliable and effective manipulation of gas bubbles in aqueous media occurs on the interfaces with simple shapes (i.e., cylinder and cone shapes). Reliable strategies for spontaneous and directional transport of gas bubbles on interfaces with complex shapes remain enormously challenging. Herein, a type of 3D gradient porous network was constructed on copper wire interfaces, with rectangle, wave, and helix shapes. The superhydrophobic copper wires were immersed in water, and continuous and stable gas films then formed on the interfaces. With the assistance of the Laplace pressure gradient between two bubbles, gas bubbles (including microscopic gas bubbles) in the aqueous media were subsequently transported, continuously and directionally, on the copper wires with complex shapes. The small gas bubbles always moved to the larger ones.

Theory of elastic interaction between arbitrary colloidal particles in confined nematic liquid crystals.

PubMed

Tovkach, O M; Chernyshuk, S B; Lev, B I

2012-12-01

We develop the method proposed by Chernyshuk and Lev [Phys. Rev. E 81, 041701 (2010)] for theoretical investigation of elastic interactions between colloidal particles of arbitrary shape and chirality (polar as well as azimuthal anchoring) in the confined nematic liquid crystal (NLC). General expressions for six different types of multipole elastic interactions are obtained in the confined NLC: monopole-monopole (Coulomb type), monopole-dipole, monopole-quadrupole, dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole interactions. The obtained formulas remain valid in the presence of the external electric or magnetic fields. The exact equations are found for all multipole coefficients for the weak anchoring case. For the strong anchoring coupling, the connection between the symmetry of the shape or director and multipole coefficients is obtained, which enables us to predict which multipole coefficients vanish and which remain nonzero. The particles with azimuthal helicoid anchoring are considered as an example. Dipole-dipole interactions between helicoid cylinders and cones are found in the confined NLC. In addition, the banana-shaped particles in homeotropic and planar nematic cells are considered. It is found that the dipole-dipole interaction between banana-shaped particles differs greatly from the dipole-dipole interaction between the axially symmetrical particles in the nematic cell. There is a crossover from attraction to repulsion between banana particles along some directions in nematic cells. It is shown that monopoles do not "feel" the type of nematic cell: monopole-monopole interaction turns out to be the same in homeotropic and planar nematic cells and converges to the Coulomb law as thickness increases, L→∞.

Multiple transparency windows and Fano interferences induced by dipole-dipole couplings

NASA Astrophysics Data System (ADS)

Diniz, E. C.; Borges, H. S.; Villas-Boas, C. J.

2018-04-01

We investigate the optical properties of a two-level system (TLS) coupled to a one-dimensional array of N other TLSs with dipole-dipole coupling between the first neighbors. The first TLS is probed by a weak field, and we assume that it has a decay rate much greater than the decay rates of the other TLSs. For N =1 and in the limit of a Rabi frequency of a probe field much smaller than the dipole-dipole coupling, the optical response of the first TLS, i.e., its absorption and dispersion, is equivalent to that of a three-level atomic system in the configuration which allows one to observe the electromagnetically induced transparency (EIT) phenomenon. Thus, here we investigate an induced transparency phenomenon where the dipole-dipole coupling plays the same role as the control field in EIT in three-level atoms. We describe this physical phenomenon, named a dipole-induced transparency (DIT), and investigate how it scales with the number of coupled TLSs. In particular, we have shown that the number of TLSs coupled to the main TLS is exactly equal to the number of transparency windows. The ideas presented here are very general and can be implemented in different physical systems, such as an array of superconducting qubits, or an array of quantum dots, spin chains, optical lattices, etc.

Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole

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

Wilke, Josefin; Wilke, Martin; Schmitt, Michael, E-mail: mschmitt@uni-duesseldorf.de

2016-01-28

The dipole moments of the ground and lowest electronically excited singlet state of 5-methoxyindole have been determined by means of optical Stark spectroscopy in a molecular beam. The resulting spectra arise from a superposition of different field configurations, one with the static electric field almost parallel to the polarization of the exciting laser radiation, the other nearly perpendicular. Each field configuration leads to different intensities in the rovibronic spectrum. With an automated evolutionary algorithm approach, the spectra can be fit and the ratio of both field configurations can be determined. A simultaneous fit of two spectra with both field configurationsmore » improved the precision of the dipole moment determination by a factor of two. We find a reduction of the absolute dipole moment from 1.59(3) D to 1.14(6) D upon electronic excitation to the lowest electronically excited singlet state. At the same time, the dipole moment orientation rotates by 54{sup ∘} showing the importance of the determination of the dipole moment components. The dipole moment in the electronic ground state can approximately be obtained from a vector addition of the indole and the methoxy group dipole moments. However, in the electronically excited state, vector addition completely fails to describe the observed dipole moment. Several reasons for this behavior are discussed.« less

Spectrophotometric and spectroscopic studies of charge transfer complexes of p-toluidine as an electron donor with picric acid as an electron acceptor in different solvents

NASA Astrophysics Data System (ADS)

Singh, Neeti; Khan, Ishaat M.; Ahmad, Afaq

2010-04-01

The charge transfer complexes of the donor p-toluidine with π-acceptor picric acid have been studied spectrophotometrically in various solvents such as carbon tetrachloride, chloroform, dichloromethane acetone, ethanol, and methanol at room temperature using absorption spectrophotometer. The results indicate that formation of CTC in non-polar solvent is high. The stoichiometry of the complex was found to be 1:1 ratio by straight-line method between donor and acceptor with maximum absorption bands. The data are discussed in terms of formation constant ( KCT), molar extinction coefficient ( ɛCT), standard free energy (Δ Go), oscillator strength ( f), transition dipole moment ( μEN), resonance energy ( RN) and ionization potential ( ID). The results indicate that the formation constant ( KCT) for the complex was shown to be dependent upon the nature of electron acceptor, donor and polarity of solvents that were used.

Spectroscopic studies of multiple charge transfer complexes of p-toluidine with π-acceptor picric acid in different polar solvents

NASA Astrophysics Data System (ADS)

Singh, Neeti; Ahmad, Afaq

2010-04-01

The charge transfer complexes of the donor p-toluidine with π-acceptor picric acid have been studied spectrophotometrically in various solvents such as acetone, ethanol, and methanol at room temperature using absorption spectrophotometer. The results indicate that formation of CTC in less polar solvent is high. The stoichiometry of the complex was found to be 1: 1 ratio by straight line method between donor and acceptor with maximum absorption bands. The data are discussed in terms of formation constant ( K CT), molar extinction coefficient (ɛCT), standard free energy (Δ G°), oscillator strength ( f), transition dipole moment (μEN), resonance energy ( R N) and ionization potential ( I D). The results indicate that the formation constant ( K CT) for the complex were shown to be dependent upon the nature of electron acceptor, donor and polarity of solvents which were used.

Visualizing Special Relativity: The Field of An Electric Dipole Moving at Relativistic Speed

ERIC Educational Resources Information Center

Smith, Glenn S.

2011-01-01

The electromagnetic field is determined for a time-varying electric dipole moving with a constant velocity that is parallel to its moment. Graphics are used to visualize this field in the rest frame of the dipole and in the laboratory frame when the dipole is moving at relativistic speed. Various phenomena from special relativity are clearly…

Effects of Changes to Arc Dipole Length

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

Tepikian, Steven

1994-06-01

The arc dipole magnetic length in the design is 9.45m. The first arc magnets were made with BNL parts and have the proper length, however, the dipoles made with Grumman parts has a shorter magnetic length. The current projected magnet length of the Grumman dipoles is 9.422m. In this note we discuss the consequences of this change.

Broad-band UHF dipole array

NASA Technical Reports Server (NTRS)

Bailey, M. C.

1985-01-01

A 6X6 array of fan-dipoles was designed to operate in the 510 to 660 MHz frequency range for aircraft flight test and evaluation of a UHF radiometer system. A broad-band dipole design operating near the first resonance is detailed. Measured VSWR and radiation patterns for the dipole array demonstrate achievable bandwidths in the 35 percent to 40 percent range.

Optimal control of orientation and entanglement for two dipole-dipole coupled quantum planar rotors.

PubMed

Yu, Hongling; Ho, Tak-San; Rabitz, Herschel

2018-05-09

Optimal control simulations are performed for orientation and entanglement of two dipole-dipole coupled identical quantum rotors. The rotors at various fixed separations lie on a model non-interacting plane with an applied control field. It is shown that optimal control of orientation or entanglement represents two contrasting control scenarios. In particular, the maximally oriented state (MOS) of the two rotors has a zero entanglement entropy and is readily attainable at all rotor separations. Whereas, the contrasting maximally entangled state (MES) has a zero orientation expectation value and is most conveniently attainable at small separations where the dipole-dipole coupling is strong. It is demonstrated that the peak orientation expectation value attained by the MOS at large separations exhibits a long time revival pattern due to the small energy splittings arising form the extremely weak dipole-dipole coupling between the degenerate product states of the two free rotors. Moreover, it is found that the peak entanglement entropy value attained by the MES remains largely unchanged as the two rotors are transported to large separations after turning off the control field. Finally, optimal control simulations of transition dynamics between the MOS and the MES reveal the intricate interplay between orientation and entanglement.

Hidden momentum and the Abraham-Minkowski debate

NASA Astrophysics Data System (ADS)

Saldanha, Pablo L.; Filho, J. S. Oliveira

2017-04-01

We use an extended version of electrodynamics, which admits the existence of magnetic charges and currents, to discuss how different models for electric and magnetic dipoles do or do not carry hidden momentum under the influence of external electromagnetic fields. Based on that, we discuss how the models adopted for the electric and magnetic dipoles from the particles that compose a material medium influence the expression for the electromagnetic part of the light momentum in the medium. We show that Abraham expression is compatible with electric dipoles formed by electric charges and magnetic dipoles formed by magnetic charges, while Minkowski expression is compatible with electric dipoles formed by magnetic currents and magnetic dipoles formed by electric currents. The expression ɛ0E ×B , on the other hand, is shown to be compatible with electric dipoles formed by electric charges and magnetic dipoles formed by electric currents, which are much more natural models. So this expression has an interesting interpretation in the Abraham-Minkowski debate about the momentum of light in a medium: It is the expression compatible with the nonexistence of magnetic charges. We also provide a simple justification of why Abraham and Minkowski momenta can be associated with the kinetic and canonical momentum of light, respectively.

Effects of hydrophobic and dipole-dipole interactions on the conformational transitions of a model polypeptide

NASA Astrophysics Data System (ADS)

Mu, Yan; Gao, Yi Qin

2007-09-01

We studied the effects of hydrophobicity and dipole-dipole interactions between the nearest-neighbor amide planes on the secondary structures of a model polypeptide by calculating the free energy differences between different peptide structures. The free energy calculations were performed with low computational costs using the accelerated Monte Carlo simulation (umbrella sampling) method, with a bias-potential method used earlier in our accelerated molecular dynamics simulations. It was found that the hydrophobic interaction enhances the stability of α helices at both low and high temperatures but stabilizes β structures only at high temperatures at which α helices are not stable. The nearest-neighbor dipole-dipole interaction stabilizes β structures under all conditions, especially in the low temperature region where α helices are the stable structures. Our results indicate clearly that the dipole-dipole interaction between the nearest neighboring amide planes plays an important role in determining the peptide structures. Current research provides a more unified and quantitative picture for understanding the effects of different forms of interactions on polypeptide structures. In addition, the present model can be extended to describe DNA/RNA, polymer, copolymer, and other chain systems.

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

Dipole response of 76Se above 4 MeV

NASA Astrophysics Data System (ADS)

Goddard, P. M.; Cooper, N.; Werner, V.; Rusev, G.; Stevenson, P. D.; Rios, A.; Bernards, C.; Chakraborty, A.; Crider, B. P.; Glorius, J.; Ilieva, R. S.; Kelley, J. H.; Kwan, E.; Peters, E. E.; Pietralla, N.; Raut, R.; Romig, C.; Savran, D.; Schnorrenberger, L.; Smith, M. K.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Yates, S. W.

2013-12-01

The dipole response of 3476Se in the energy range from 4 to 9 MeV has been analyzed using a (γ⃗,γ') polarized photon scattering technique, performed at the High Intensity γ-Ray Source facility at Triangle Universities Nuclear Laboratory, to complement previous work performed using unpolarized photons. The results of this work offer both an enhanced sensitivity scan of the dipole response and an unambiguous determination of the parities of the observed J=1 states. The dipole response is found to be dominated by E1 excitations, and can reasonably be attributed to a pygmy dipole resonance. Evidence is presented to suggest that a significant amount of directly unobserved excitation strength is present in the region, due to unobserved branching transitions in the decays of resonantly excited states. The dipole response of the region is underestimated when considering only ground state decay branches. We investigate the electric dipole response theoretically, performing calculations in a three-dimensional (3D) Cartesian-basis time-dependent Skyrme-Hartree-Fock framework.

Anisotropy-Induced Quantum Interference and Population Trapping between Orthogonal Quantum Dot Exciton States in Semiconductor Cavity Systems

NASA Astrophysics Data System (ADS)

Hughes, Stephen; Agarwal, Girish S.

2017-02-01

We describe how quantum dot semiconductor cavity systems can be engineered to realize anisotropy-induced dipole-dipole coupling between orthogonal dipole states in a single quantum dot. Quantum dots in single-mode cavity structures as well as photonic crystal waveguides coupled to spin states or linearly polarized excitons are considered. We demonstrate how the dipole-dipole coupling can control the radiative decay rate of excitons and form pure entangled states in the long time limit. We investigate both field-free entanglement evolution and coherently pumped exciton regimes, and show how a double-field pumping scenario can completely eliminate the decay of coherent Rabi oscillations and lead to population trapping. In the Mollow triplet regime, we explore the emitted spectra from the driven dipoles and show how a nonpumped dipole can take on the form of a spectral triplet, quintuplet, or a singlet, which has applications for producing subnatural linewidth single photons and more easily accessing regimes of high-field quantum optics and cavity-QED.

Understanding the Interface Dipole of Copper Phthalocyanine (CuPc)/C60: Theory and Experiment.

PubMed

Sai, Na; Gearba, Raluca; Dolocan, Andrei; Tritsch, John R; Chan, Wai-Lun; Chelikowsky, James R; Leung, Kevin; Zhu, Xiaoyang

2012-08-16

Interface dipole determines the electronic energy alignment in donor/acceptor interfaces and plays an important role in organic photovoltaics. Here we present a study combining first principles density functional theory (DFT) with ultraviolet photoemission spectroscopy (UPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) to investigate the interface dipole, energy level alignment, and structural properties at the interface between CuPc and C60. DFT finds a sizable interface dipole for the face-on orientation, in quantitative agreement with the UPS measurement, and rules out charge transfer as the origin of the interface dipole. Using TOF-SIMS, we show that the interfacial morphology for the bilayer CuPc/C60 film is characterized by molecular intermixing, containing both the face-on and the edge-on orientation. The complementary experimental and theoretical results provide both insight into the origin of the interface dipole and direct evidence for the effect of interfacial morphology on the interface dipole.

Anisotropy-Induced Quantum Interference and Population Trapping between Orthogonal Quantum Dot Exciton States in Semiconductor Cavity Systems.

PubMed

Hughes, Stephen; Agarwal, Girish S

2017-02-10

We describe how quantum dot semiconductor cavity systems can be engineered to realize anisotropy-induced dipole-dipole coupling between orthogonal dipole states in a single quantum dot. Quantum dots in single-mode cavity structures as well as photonic crystal waveguides coupled to spin states or linearly polarized excitons are considered. We demonstrate how the dipole-dipole coupling can control the radiative decay rate of excitons and form pure entangled states in the long time limit. We investigate both field-free entanglement evolution and coherently pumped exciton regimes, and show how a double-field pumping scenario can completely eliminate the decay of coherent Rabi oscillations and lead to population trapping. In the Mollow triplet regime, we explore the emitted spectra from the driven dipoles and show how a nonpumped dipole can take on the form of a spectral triplet, quintuplet, or a singlet, which has applications for producing subnatural linewidth single photons and more easily accessing regimes of high-field quantum optics and cavity-QED.

Radiation patterns of interfacial dipole antennas

NASA Technical Reports Server (NTRS)

Engheta, N.; Papas, C. H.; Elachi, C.

1982-01-01

The radiation pattern of an infinitesimal electric dipole is calculated for the case where the dipole is vertically located on the plane interface of two dielectric half spaces and for the case where the dipole is lying horizontally along the interface. For the vertical case, it is found that the radiation pattern has nulls at the interface and along the dipole axis. For the horizontal case, it is found that the pattern has a null at the interface; that the pattern in the upper half space, whose index of refraction is taken to be less than that of the lower half space, has a single lobe whose maximum is normal to the interface; and that in the lower half space, in the plane normal to the interface and containing the dipole, the pattern has three lobes, whereas in the plane normal to the interface and normally bisecting the dipole, the pattern has two maxima located symmetrically about a minimum. Interpretation of these results in terms of the Cerenkov effect is given.

Comparison between electric dipole and magnetic loop antennas for emitting whistler modes

NASA Astrophysics Data System (ADS)

Stenzel, R.; Urrutia, J. M.

2016-12-01

In a large uniform and unbounded laboratory plasma low frequency whistler modes are excited from an electric dipole and a magnetic loop. The excited waves are measured with a magnetic probe which resolves the three field components in 3D space and time. This yields the group velocity and energy density, from which one obtains the emitted power. The same rf generator is used for both antennas and the radiated power is measured under identical plasma conditions. The magnetic loop radiates 8000 times more power than the electric dipole. The reason is that the loop antenna carries a large conduction current while the electric dipole current is a much smaller displacement current through the sheath. The current, hence magnetic field excites whistlers, not the dipole electric field. Incidentally, a dipole antenna does not launch plane waves but m = 1 helicon modes. The findings suggest that active wave injections into the magnetosphere should be done with magnetic antennas. Two parallel dipoles connected at the free end could serve as an elongated loop.

Nanoscale probing of image-dipole interactions in a metallic nanostructure

PubMed Central

Ropp, Chad; Cummins, Zachary; Nah, Sanghee; Fourkas, John T.; Shapiro, Benjamin; Waks, Edo

2015-01-01

An emitter near a surface induces an image dipole that can modify the observed emission intensity and radiation pattern. These image-dipole effects are generally not taken into account in single-emitter tracking and super-resolved imaging applications. Here we show that the interference between an emitter and its image dipole induces a strong polarization anisotropy and a large spatial displacement of the observed emission pattern. We demonstrate these effects by tracking the emission of a single quantum dot along two orthogonal polarizations as it is deterministically positioned near a silver nanowire. The two orthogonally polarized diffraction spots can be displaced by up to 50 nm, which arises from a Young’s interference effect between the quantum dot and its induced image dipole. We show that the observed spatially varying interference fringe provides a useful measure for correcting image-dipole-induced distortions. These results provide a pathway towards probing and correcting image-dipole effects in near-field imaging applications. PMID:25790228

Cancer Research in the Media

Cancer.gov

Cancer Research in the Media (CRiM) is a two-day seminar designed for international journalists to increase their understanding of complex scientific findings, improving their ability to communicate accurate cancer-related information to the public.

Decoupling capabilities of split-loop resonator structure for 7 Tesla MRI surface array coils

NASA Astrophysics Data System (ADS)

Hurshkainen, A.; Kurdjumov, S.; Simovski, C.; Glybovski, S.; Melchakova, I.; van den Berg, C. A. T.; Raaijmakers, A.; Belov, P.

2017-09-01

In this work we studied electromagnetic properties of one-dimentional periodic structures composed of split-loop res-onators (SLRs) and investigated their capabilities in decoupling of two dipole antennas for full-body magnetic resonance imaging (MRI). Two different finite structures comprising a single-SLR and a double-SLR constitutive elements were studied. Numerical simulations of the structures were performed to evaluate their decoupling capabilities. As it was demonstrated two dipole antennas equipped with either a single or a double-SLR structure exhibit high isolation even for an electrically short distance between the dipoles. Double-SLR structure while dramatically improving isolation of the dipoles keeps the field created by each of the decoupled dipoles comparable with one of a single dipole inside the target area.

Determination of anisotropic dipole moments in self-assembled quantum dots using Rabi oscillations

NASA Astrophysics Data System (ADS)

Muller, Andreas; Wang, Qu-Quan; Bianucci, Pablo; Xue, Qi-Kun; Shih, Chih-Kang

2004-03-01

By investigating the polarization-dependent Rabi oscillations using photoluminescence spectroscopy, we determined the respective transition dipole moments of the two excited excitonic states |Ex> and |Ey> of a single self-assembled quantum dot that are nondegenerate due to shape anisotropy. We find that the ratio of the two dipole moments is close to the physical elongation ratio of the quantum dot. We also measured the ground state radiative lifetimes of several quantum dots. The dipole moments calculated from the latter are in reasonable agreement with the dipole moments determined from the periodicity of the Rabi oscillations.

Polarizable polymer chain under external electric field: Effects of many-body electrostatic dipole correlations.

PubMed

Budkov, Yu A; Kolesnikov, A L

2016-11-01

We present a new simple self-consistent field theory of a polarizable flexible polymer chain under an external constant electric field with account for the many-body electrostatic dipole correlations. We show the effects of electrostatic dipole correlations on the electric-field-induced globule-coil transition. We demonstrate that only when the polymer chain is in the coil conformation, the electrostatic dipole correlations of monomers can be considered as pairwise. However, when the polymer chain is in a collapsed state, the dipole correlations have to be considered at the many-body level.

Influence of dielectric substrate on the responsivity of microstrip dipole-antenna-coupled infrared microbolometers.

PubMed

Codreanu, Iulian; Boreman, Glenn D

2002-04-01

We report on the influence of the dielectric substrate on the performance of microstrip dipole-antenna-coupled microbolometers. The location, the width, and the magnitude of the resonance of a printed dipole are altered when the dielectric substrate is backed by a ground plane. A thicker dielectric substrate shifts the antenna resonance toward shorter dipole lengths and leads to a stronger and slower detector response. The incorporation of an air layer into the antenna substrate further increases thermal impedance, leading to an even stronger response and shifting the antenna resonance toward longer dipole lengths.

Neutron electric dipole moment from electric and chromoelectric dipole moments of quarks

NASA Astrophysics Data System (ADS)

Pospelov, Maxim; Ritz, Adam

2001-04-01

Using QCD sum rules, we calculate the electric dipole moment of the neutron dn induced by all CP violating operators up to dimension five. We find that the chromoelectric dipole moments of quarks d~i, including that of the strange quark, provide significant contributions comparable in magnitude to those induced by the quark electric dipole moments di. When the theta term is removed via the Peccei-Quinn symmetry, the strange quark contribution is also suppressed and dn=(1+/-0.5)\\{0.55e(d~d+0.5d~u)+0.7(dd-0.25du)\\}.

Constrained dipole oscillator strength distributions, sum rules, and dispersion coefficients for Br2 and BrCN

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Thakkar, Ajit J.

2017-03-01

Dipole oscillator strength distributions for Br2 and BrCN are constructed from photoabsorption cross-sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule, the high-energy behavior of the dipole-oscillator-strength density and molar refractivity data when available. The distributions are used to predict dipole sum rules S (k) , mean excitation energies I (k) , and van der Waals C6 coefficients. Coupled-cluster calculations of the static dipole polarizabilities of Br2 and BrCN are reported for comparison with the values of S (- 2) extracted from the distributions.

Social Media, Health Policy, and Knowledge Translation.

PubMed

Roland, Damian

2018-01-01

Social media has been cited as a methodology for reducing the knowledge translation gap, creating communities of practice, and reducing traditional hierarchical divisions. Social movements have also embraced social media as a means of spreading their aims and reaching wide audiences. However, its impact on health policy is seldom considered. The author examines the complexity of clinicians' use of social media to influence policy and how policy and government groups may use social media to help their own objectives. Crown Copyright © 2017. Published by Elsevier Inc. All rights reserved.

Teacher Motivations for Digital and Media Literacy: An Examination of Turkish Educators

ERIC Educational Resources Information Center

Hobbs, Renee; Tuzel, Sait

2017-01-01

Educators have a variety of beliefs and attitudes about the best ways to support students' critical thinking, creativity, communication and collaboration skills by connecting the classroom to contemporary society, mass media and popular culture. Teachers who advance digital and media literacy may have a complex set of attitudes and habits of mind…

How Many "Friends" Do You Need? Teaching Students How to Network Using Social Media

ERIC Educational Resources Information Center

Sacks, Michael Alan; Graves, Nikki

2012-01-01

Student reliance on social media is undeniable. However, while we largely regard social media as a new phenomena, the concepts underlying it come directly from social network theory in sociology and organizational behavior. In this article, the authors examine how the social network concepts of size, quality, complexity, diffusion, and distance…

Between Curriculum Complexity and Stereotypes: Exploring Stereotypes of Teachers and Education in Media as a Question of Structural Violence

ERIC Educational Resources Information Center

Edling, Silvia

2015-01-01

The paper highlights four tendencies in the media reporting of teachers and education: (a) recurring patterns of defining education in crisis, (b) mantling responsibility as exterior spokespersons for education and teachers, (c) excluding teachers' and educational researchers' knowledge and experiences in the media and (d) simplifying the notion…

Responding Intelligently when Would-Be Censors Charge: "That Book Can Make Them...!"

ERIC Educational Resources Information Center

Martinson, David L.

2007-01-01

School administrators and teachers need to recognize that most persons--including would-be censors of school-related media communications--simply do not understand the complexities germane to measuring the impact of the mass media and the specific messages transmitted to broader audiences via a variety of media channels. In particular, what most…

Toward extending photosynthetic biosignatures: quantum dynamics calculation of light harvesting complexes

NASA Astrophysics Data System (ADS)

Komatsu, Yu; Umemura, Masayuki; Shoji, Mitsuo; Kayanuma, Megumi; Yabana, Kazuhiro; Shiraishi, Kenji

For detecting life from reflectance spectra on extrasolar planets, several indicators called surface biosignatures have been proposed. One of them is the vegetation red edge (VRE) which derives from surface vegetation. VRE is observed in 700-750 nm on the Earth, but there is no guarantee that exovegetation show the red edge in this wavelength. Therefore it is necessary to check the validity of current standards of VRE as the signatures. In facts, M stars (cooler than Sun) will be the main targets in future missions, it is significantly important to know on the fundamental mechanisms in photosynthetic organism such as purple bacteria which absorb longer wavelength radiation. We investigated light absorptions and excitation energy transfers (EETs) in light harvesting complexes in purple bacteria (LH2s) by using quantum dynamics simulations. In LH2, effective EET is accomplished by corporative electronic excitation of the pigments. In our theoretical model, a dipole-dipole approximation was used for the electronic interactions between pigment excitations. Quantum dynamics simulations were performed according to Liouville equation to examine the EET process. The calculated oscillator strength and the transfer time between LH2 were good agreement with the experimental values. As the system size increases, the absorption bands shifted longer and the transfer velocities became larger. When two pigments in a LHC were exchanged to another pigments with lower excitation energy, faster and intensive light collection were observed.

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

NASA Technical Reports Server (NTRS)

Grard, R.

1988-01-01

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

Devices, systems, and methods for conducting sandwich assays using sedimentation

DOEpatents

Schaff, Ulrich Y; Sommer, Gregory J; Singh, Anup K; Hatch, Anson V

2015-02-03

Embodiments of the present invention are directed toward devices, systems, and method for conducting sandwich assays using sedimentation. In one example, a method includes generating complexes on a plurality of beads in a fluid sample, individual ones of the complexes comprising a capture agent, a target analyte, and a labeling agent. The plurality of beads including the complexes may be transported through a density media, wherein the density media has a density lower than a density of the beads and higher than a density of the fluid sample, and wherein the transporting occurs, at least in part, by sedimentation. Signal may be detected from the labeling agents of the complexes.

Multilevel effects on the balance of dipole-allowed to dipole-forbidden transitions in Rydberg atoms induced by a dipole interaction with slow charged projectiles

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

Syrkin, M.I.

1996-02-01

In collisions of Rydberg atoms with charged projectiles at velocities approximately matching the speed of the Rydberg electron {ital v}{sub {ital n}} (matching velocity), {ital n} being the principal quantum number of the Rydberg level, the dipole-forbidden transitions with large angular-momentum transfer {Delta}{ital l}{gt}1 substantially dominate over dipole-allowed transitions {Delta}{ital l}=1, although both are induced by the dipole interaction. Here it is shown that as the projectile velocity decreases the adiabatic character of the depopulation depends on the energy distribution of states in the vicinity of the initial level. If the spectrum is close to degeneracy (as for high-{ital l}more » levels) the dipole-forbidden depopulation prevails practically over the entire low-velocity region, down to velocities {approximately}{ital n}{sup 3}[{Delta}{ital E}/Ry]{ital v}{sub {ital n}}, where {Delta}{ital E} is the energy spacing adjoining to the level due to either a quantum defect or the relevant level width or splitting, whichever is greater. If the energy gaps are substantial (as for strongly nonhydrogenic {ital s} and {ital p} levels in alkali-metal atoms), then the fraction of dipole transitions in the total depopulation reaches a flat minimum just below the matching velocity and then grows again, making the progressively increasing contribution to the low-velocity depopulation. The analytic models based on the first-order Born amplitudes (rather than the two-level adiabatic approximation) furnish reasonable estimates of the fractional dipole-allowed and dipole-forbidden depopulations. {copyright} {ital 1996 The American Physical Society.}« less

Dipole-dipole interaction in cavity QED: The weak-coupling, nondegenerate regime

NASA Astrophysics Data System (ADS)

Donaire, M.; Muñoz-Castañeda, J. M.; Nieto, L. M.

2017-10-01

We compute the energies of the interaction between two atoms placed in the middle of a perfectly reflecting planar cavity, in the weak-coupling nondegenerate regime. Both inhibition and enhancement of the interactions can be obtained by varying the size of the cavity. We derive exact expressions for the dyadic Green's function of the cavity field which mediates the interactions and apply time-dependent quantum perturbation theory in the adiabatic approximation. We provide explicit expressions for the van der Waals potentials of two polarizable atomic dipoles and the electrostatic potential of two induced dipoles. We compute the van der Waals potentials in three different scenarios: two atoms in their ground states, two atoms excited, and two dissimilar atoms with one of them excited. In addition, we calculate the phase-shift rate of the two-atom wave function in each case. The effect of the two-dimensional confinement of the electromagnetic field on the dipole-dipole interactions is analyzed. This effect depends on the atomic polarization. For dipole moments oriented parallel to the cavity plates, both the electrostatic and the van der Waals interactions are exponentially suppressed for values of the cavity width much less than the interatomic distance, whereas for values of the width close to the interatomic distance, the strength of both interactions is higher than their values in the absence of cavity. For dipole moments perpendicular to the plates, the strength of the van der Waals interaction decreases for values of the cavity width close to the interatomic distance, while it increases for values of the width much less than the interatomic distance with respect to its strength in the absence of cavity. We illustrate these effects by computing the dipole-dipole interactions between two alkali atoms in circular Rydberg states.

Monitoring cell culture media degradation using surface enhanced Raman scattering (SERS) spectroscopy.

PubMed

Calvet, Amandine; Ryder, Alan G

2014-08-20

The quality of the cell culture media used in biopharmaceutical manufacturing is a crucial factor affecting bioprocess performance and the quality of the final product. Due to their complex composition these media are inherently unstable, and significant compositional variations can occur particularly when in the prepared liquid state. For example photo-degradation of cell culture media can have adverse effects on cell viability and thus process performance. There is therefore, from quality control, quality assurance and process management view points, an urgent demand for the development of rapid and inexpensive tools for the stability monitoring of these complex mixtures. Spectroscopic methods, based on fluorescence or Raman measurements, have now become viable alternatives to more time-consuming and expensive (on a unit analysis cost) chromatographic and/or mass spectrometry based methods for routine analysis of media. Here we demonstrate the application of surface enhanced Raman scattering (SERS) spectroscopy for the simple, fast, analysis of cell culture media degradation. Once stringent reproducibility controls are implemented, chemometric data analysis methods can then be used to rapidly monitor the compositional changes in chemically defined media. SERS shows clearly that even when media are stored at low temperature (2-8°C) and in the dark, significant chemical changes occur, particularly with regard to cysteine/cystine concentration. Copyright © 2014 Elsevier B.V. All rights reserved.

Beyond the media: A new strategy for distributing scientific and technical information

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

Preecs, B.L.

Communications media -- newspapers, television, magazines, etc. -- may be the most powerful single influence on modern life. Certainly they are the most important source of information citizens use to form opinions about such complex scientific questions as global warming or nuclear waste cleanup. But commercial news media have built-in limitations on their effectiveness as information sources. Reliance on advertising for revenue means the media are limited in the volume of material they can cover. In addition, the need to attract the largest possible, or the most select, audience for advertisers limits the complexity of information that the media canmore » present. Finally, existing media organizations offer few, if any, ways for users to retrieve past information. These limitations deprive citizens of needed information, increase pressure on political leaders, and create the gridlock over scientific and public policy questions caused by the Not in My Backyard'' snydrome. Fortunately, modern communications technology is changing in ways that allow public policy makers to address these shortenings. Companies now barred from the information business are seeking to enter, existing media companies are looking for new sources of revenue, and new information products are seeking markets. Several changes to existing media and communications policy will be suggested and general principles for building a better overall communications system will be discussed. 18 refs.« less

Correlation of the bond-length change and vibrational frequency shift in model hydrogen-bonded complexes of pyrrole

NASA Astrophysics Data System (ADS)

McDowell, Sean A. C.

2017-04-01

An MP2 computational study of model hydrogen-bonded pyrrole⋯YZ (YZ = NH3, NCH, BF, CO, N2, OC, FB) complexes was undertaken in order to examine the variation of the Nsbnd H bond length change and its associated vibrational frequency shift. The chemical hardness of Y, as well as the YZ dipole moment, were found to be important parameters in modifying the bond length change/frequency shift. The basis set effect on the computed properties was also assessed. A perturbative model, which accurately reproduced the ab initio Nsbnd H bond length changes and frequency shifts, was useful in rationalizing the observed trends.

Measurements of Dynamic Effects in FNAL 11 T Nb 3Sn Dipole Models

DOE PAGES

Velev, Gueorgui; Strauss, Thomas; Barzi, Emanuela; ...

2018-01-17

Fermilab, in collaboration with CERN, has developed a twin-aperture 11 T Nb 3Sn dipole suitable for the high-luminosity LHC upgrade. During 2012-2014, a 2-m long single-aperture dipole demonstrator and three 1-m long single-aperture dipole models were fabricated by FNAL and tested at its Vertical Magnet Test Facility. Collared coils from two of the 1-m long models were then used to assemble the first twin-aperture dipole demonstrator. This magnet had extensive testing in 2015-2016, including quench performance, quench protection, and field quality studies. Here, this paper reports the results of measurements of persistent current effects in the single-aperture and twin-aperture 11more » T Nb 3Sn dipoles and compares them with similar measurements in previous NbTi magnets« less

Measurements of Dynamic Effects in FNAL 11 T Nb 3Sn Dipole Models

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

Velev, Gueorgui; Strauss, Thomas; Barzi, Emanuela

Fermilab, in collaboration with CERN, has developed a twin-aperture 11 T Nb 3Sn dipole suitable for the high-luminosity LHC upgrade. During 2012-2014, a 2-m long single-aperture dipole demonstrator and three 1-m long single-aperture dipole models were fabricated by FNAL and tested at its Vertical Magnet Test Facility. Collared coils from two of the 1-m long models were then used to assemble the first twin-aperture dipole demonstrator. This magnet had extensive testing in 2015-2016, including quench performance, quench protection, and field quality studies. Here, this paper reports the results of measurements of persistent current effects in the single-aperture and twin-aperture 11more » T Nb 3Sn dipoles and compares them with similar measurements in previous NbTi magnets« less

Observation of isoscalar and isovector dipole excitations in neutron-rich 20O

NASA Astrophysics Data System (ADS)

Nakatsuka, N.; Baba, H.; Aumann, T.; Avigo, R.; Banerjee, S. R.; Bracco, A.; Caesar, C.; Camera, F.; Ceruti, S.; Chen, S.; Derya, V.; Doornenbal, P.; Giaz, A.; Horvat, A.; Ieki, K.; Inakura, T.; Imai, N.; Kawabata, T.; Kobayashi, N.; Kondo, Y.; Koyama, S.; Kurata-Nishimura, M.; Masuoka, S.; Matsushita, M.; Michimasa, S.; Million, B.; Motobayashi, T.; Murakami, T.; Nakamura, T.; Ohnishi, T.; Ong, H. J.; Ota, S.; Otsu, H.; Ozaki, T.; Saito, A.; Sakurai, H.; Scheit, H.; Schindler, F.; Schrock, P.; Shiga, Y.; Shikata, M.; Shimoura, S.; Steppenbeck, D.; Sumikama, T.; Syndikus, I.; Takeda, H.; Takeuchi, S.; Tamii, A.; Taniuchi, R.; Togano, Y.; Tscheuschner, J.; Tsubota, J.; Wang, H.; Wieland, O.; Wimmer, K.; Yamaguchi, Y.; Yoneda, K.; Zenihiro, J.

2017-05-01

The isospin characters of low-energy dipole excitations in neutron-rich unstable nucleus 20O were investigated, for the first time in unstable nuclei. Two spectra obtained from a dominant isovector probe (20O + Au) and a dominant isoscalar probe (20O + α) were compared and analyzed by the distorted-wave Born approximation to extract independently the isovector and isoscalar dipole strengths. Two known 1- states with large isovector dipole strengths at energies of 5.36(5) MeV (11-) and 6.84(7) MeV (12-) were also excited by the isoscalar probe. These two states were found to have different isoscalar dipole strengths, 2.70(32)% (11-) and 0.67(12)% (12-), respectively, in exhaustion of the isoscalar dipole-energy-weighted sum rule. The difference in isoscalar strength indicated that they have different underlying structures.

MUSIC electromagnetic imaging with enhanced resolution for small inclusions

NASA Astrophysics Data System (ADS)

Chen, Xudong; Zhong, Yu

2009-01-01

This paper investigates the influence of the test dipole on the resolution of the multiple signal classification (MUSIC) imaging method applied to the electromagnetic inverse scattering problem of determining the locations of a collection of small objects embedded in a known background medium. Based on the analysis of the induced electric dipoles in eigenstates, an algorithm is proposed to determine the test dipole that generates a pseudo-spectrum with enhanced resolution. The amplitudes in three directions of the optimal test dipole are not necessarily in phase, i.e., the optimal test dipole may not correspond to a physical direction in the real three-dimensional space. In addition, the proposed test-dipole-searching algorithm is able to deal with some special scenarios, due to the shapes and materials of objects, to which the standard MUSIC does not apply.

A new MUSIC electromagnetic imaging method with enhanced resolution for small inclusions

NASA Astrophysics Data System (ADS)

Zhong, Yu; Chen, Xudong

2008-11-01

This paper investigates the influence of test dipole on the resolution of the multiple signal classification (MUSIC) imaging method applied to the electromagnetic inverse scattering problem of determining the locations of a collection of small objects embedded in a known background medium. Based on the analysis of the induced electric dipoles in eigenstates, an algorithm is proposed to determine the test dipole that generates a pseudo-spectrum with enhanced resolution. The amplitudes in three directions of the optimal test dipole are not necessarily in phase, i.e., the optimal test dipole may not correspond to a physical direction in the real three-dimensional space. In addition, the proposed test-dipole-searching algorithm is able to deal with some special scenarios, due to the shapes and materials of objects, to which the standard MUSIC doesn't apply.

Regularized quasinormal modes for plasmonic resonators and open cavities

NASA Astrophysics Data System (ADS)

Kamandar Dezfouli, Mohsen; Hughes, Stephen

2018-03-01

Optical mode theory and analysis of open cavities and plasmonic particles is an essential component of optical resonator physics, offering considerable insight and efficiency for connecting to classical and quantum optical properties such as the Purcell effect. However, obtaining the dissipative modes in normalized form for arbitrarily shaped open-cavity systems is notoriously difficult, often involving complex spatial integrations, even after performing the necessary full space solutions to Maxwell's equations. The formal solutions are termed quasinormal modes, which are known to diverge in space, and additional techniques are frequently required to obtain more accurate field representations in the far field. In this work, we introduce a finite-difference time-domain technique that can be used to obtain normalized quasinormal modes using a simple dipole-excitation source, and an inverse Green function technique, in real frequency space, without having to perform any spatial integrations. Moreover, we show how these modes are naturally regularized to ensure the correct field decay behavior in the far field, and thus can be used at any position within and outside the resonator. We term these modes "regularized quasinormal modes" and show the reliability and generality of the theory by studying the generalized Purcell factor of dipole emitters near metallic nanoresonators, hybrid devices with metal nanoparticles coupled to dielectric waveguides, as well as coupled cavity-waveguides in photonic crystals slabs. We also directly compare our results with full-dipole simulations of Maxwell's equations without any approximations, and show excellent agreement.

Infrared Spectroscopic and Electronic Structure Investigations of Beryllium Halide Molecules, Cations, and Anions in Noble Gas Matrices.

PubMed

Yu, Wenjie; Andrews, Lester; Wang, Xuefeng

2017-11-22

Laser-ablated Be atoms, cations, and electrons were reacted with F 2 , ClF, Cl 2 , NF 3 , CCl 4 , CF 2 Cl 2 , HCl, DCl, and SiCl 4 diluted in noble gases. The major products were the dihalides BeF 2 , BeClF, BeCl 2 , and the hydride chloride HBeCl, whose identities were confirmed by comparison with previous evaporative work, deuterium substitution, and vibrational frequency calculations. The matrix-isolated fundamental frequency of the BeF molecule is higher, and the frequency of BeCl is lower, than that determined for the gas-phase molecules. The BeF + and BeCl + cations formed strong dipole-induced dipole complexes in solid Ne, Ar, Kr, and Xe with stepwise increase in computed noble gas dissociation energies. Going down the family NgBeF + and NgBeCl + series (Ng = Ne, Ar, Kr, Xe) the Mulliken charges q(Be) decrease, while q(Ng) increases, and the dipole moments decrease, which suggests covalent bonding in the xenon species. We find that the largest intramatrix shift is Ne to Ar which follows the largest factor increase for the Ng atomic polarizabilities. Extra electrons produce Cl - , which reacts with HCl to form the stable HCl 2 - anion and possibly with BeCl 2 to give BeCl 3 - . A weak band observed in neon experiments with F 2 is probably due to BeF 3 - .

Quantum computing with acceptor spins in silicon.

PubMed

Salfi, Joe; Tong, Mengyang; Rogge, Sven; Culcer, Dimitrie

2016-06-17

The states of a boron acceptor near a Si/SiO2 interface, which bind two low-energy Kramers pairs, have exceptional properties for encoding quantum information and, with the aid of strain, both heavy hole and light hole-based spin qubits can be designed. Whereas a light-hole spin qubit was introduced recently (arXiv:1508.04259), here we present analytical and numerical results proving that a heavy-hole spin qubit can be reliably initialised, rotated and entangled by electrical means alone. This is due to strong Rashba-like spin-orbit interaction terms enabled by the interface inversion asymmetry. Single qubit rotations rely on electric-dipole spin resonance (EDSR), which is strongly enhanced by interface-induced spin-orbit terms. Entanglement can be accomplished by Coulomb exchange, coupling to a resonator, or spin-orbit induced dipole-dipole interactions. By analysing the qubit sensitivity to charge noise, we demonstrate that interface-induced spin-orbit terms are responsible for sweet spots in the dephasing time [Formula: see text] as a function of the top gate electric field, which are close to maxima in the EDSR strength, where the EDSR gate has high fidelity. We show that both qubits can be described using the same starting Hamiltonian, and by comparing their properties we show that the complex interplay of bulk and interface-induced spin-orbit terms allows a high degree of electrical control and makes acceptors potential candidates for scalable quantum computation in Si.

Intrinsic resonances and AC-dipole simulations of 3He in the AGS Booster

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

Hock, Kiel; Meot, Francois; Huang, Haixin

Polarized 3He collisions are part of future RHIC physics programs and of the eRHIC project. The anomalous magnetic moment of 3He (G=-4.184) is roughly three times greater than that of protons (G=1.793), a polarized species that is already used at the Collider-Accelerator complex at BNL. Because of the higher anomolous magnetic moment and possibly injecting into the AGS at rigidities beyond 7 T • m, 3He may have to cross depolarizing intrinsic resonances while accelerating in the Booster. To overcome these strong intrinsic resonances we look to an AC-dipole, which will need to be installed in the Booster. An AC-dipolemore » is a magnet that induces large betatron oscillations which forces the entire bunch to experience a stronger resonance and induce a spin flip of all particles. An artificial intrinsic resonance is created, with close proximity to the original intrinsic resonance, which requires simulations to gauge what magnet strength is required. Simulations have been performed using zgoubi regarding the resonances 0 + v y, 12 - v y, and 6 + v y and show that the AC-dipole is effective at overcoming these resonances. Benefits of avoiding the 0 + v y and crossing the 12 - v y and 6 + v y in the Booster presents the advantage of allowing injection above the 0 + v y in the AGS and minimizes the orbit distortions from the snakes.« less

Temporal evolution of near-surface chlorophyll over cyclonic eddy lifecycles in the southeastern Pacific

NASA Astrophysics Data System (ADS)

Huang, Jie; Xu, Fanghua; Zhou, Kuanbo; Xiu, Peng; Lin, Yanluan

2017-08-01

Temporal evolution of near-surface chlorophyll (CHL) associated with mesoscale eddies over entire eddy lifespan is complicated. Based on satellite measurements and a reanalysis data set, we identify and quantify major temporal and spatial CHL responses in cyclonic eddies in the southeastern Pacific, and explore the associated mechanisms. Only few temporal CHL variations can be directly linked to the four primary mechanisms: "eddy pumping," "eddy trapping," "eddy stirring," and "eddy-induced Ekman pumping." About 80% of the temporal CHL variations are too complex to be explained by a single mechanism. Five characteristic CHL responses, including classic dipoles (CD), positive-dominant dipoles (PD), negative-dominant dipoles (ND), positive monopoles (PM), and negative monopoles (NM) are identified using the self-organizing map (SOM). CD, a dominant response induced primarily by "eddy stirring," has a continued increasing of frequency of occurrence with time, although its contribution to the total CHL variability remains low. As the secondary prominent response, NM has two peaks of frequency of occurrence at eddy formation and maturation stages, mainly accounted by "eddy trapping" after eddy breakup and "eddy-induced Ekman pumping," respectively. The sum of frequency of occurrence of PD and PM are comparable to that of NM. The initial positive CHL at eddy formation stage is associated with "eddy trapping." The significant positive CHL increase from the eddy intensification to early decay stage is mainly attributed to "eddy pumping." Although the frequency of occurrence of ND is the smallest, its contribution to negative CHL anomalies is unnegligible.

In-vitro simulation of luminal conditions for evaluation of performance of oral drug products: Choosing the appropriate test media.

PubMed

Markopoulos, Constantinos; Andreas, Cord J; Vertzoni, Maria; Dressman, Jennifer; Reppas, Christos

2015-06-01

Biorelevant media for evaluation of dosage form performance in the gastrointestinal lumen were first introduced in the late 1990s. Since then, a variety of additional media have been proposed, making it now possible to simulate most regions in the gastrointestinal tract in both prandial states. However, recent work suggests that the complexity and degree of biorelevance required to predict in-vivo release varies with the drug, dosage form and dosing conditions. The aim of this commentary was to establish which levels of biorelevant media are appropriate to various combinations of active pharmaceutical ingredient(s), dosage form and dosing conditions. With regard to their application, a decision tree for the selection of the appropriate biorelevant medium/media is proposed and illustrative case scenarios are provided. Additionally, media to represent the distal small intestine in both prandial states are presented. The newly proposed levels of biorelevance and accompanying decision tree may serve as a useful tool during formulation development in order to ensure high quality, predictive performance results without unnecessary complexity of media. In future work, further specific case examples will be evolved, which will additionally address the need to take gastrointestinal passage times and type and intensity of agitation into consideration. Copyright © 2015 Elsevier B.V. All rights reserved.

The QSAR study of flavonoid-metal complexes scavenging rad OH free radical

NASA Astrophysics Data System (ADS)

Wang, Bo-chu; Qian, Jun-zhen; Fan, Ying; Tan, Jun

2014-10-01

Flavonoid-metal complexes have antioxidant activities. However, quantitative structure-activity relationships (QSAR) of flavonoid-metal complexes and their antioxidant activities has still not been tackled. On the basis of 21 structures of flavonoid-metal complexes and their antioxidant activities for scavenging rad OH free radical, we optimised their structures using Gaussian 03 software package and we subsequently calculated and chose 18 quantum chemistry descriptors such as dipole, charge and energy. Then we chose several quantum chemistry descriptors that are very important to the IC50 of flavonoid-metal complexes for scavenging rad OH free radical through method of stepwise linear regression, Meanwhile we obtained 4 new variables through the principal component analysis. Finally, we built the QSAR models based on those important quantum chemistry descriptors and the 4 new variables as the independent variables and the IC50 as the dependent variable using an Artificial Neural Network (ANN), and we validated the two models using experimental data. These results show that the two models in this paper are reliable and predictable.

Spectroscopic and physical measurements on charge-transfer complexes: Interactions between norfloxacin and ciprofloxacin drugs with picric acid and 3,5-dinitrobenzoic acid acceptors

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; Elfalaky, A.; Elesh, Eman

2011-03-01

Charge-transfer complexes formed between norfloxacin (nor) or ciprofloxacin (cip) drugs as donors with picric acid (PA) and/or 3,5-dinitrobenzoic acid (DNB) as π-acceptors have been studied spectrophotometrically in methanol solvent at room temperature. The results indicated the formation of CT-complexes with molar ratio1:1 between donor and acceptor at maximum CT-bands. In the terms of formation constant ( KCT), molar extinction coefficient ( ɛCT), standard free energy (Δ Go), oscillator strength ( f), transition dipole moment (μ), resonance energy ( RN) and ionization potential ( ID) were estimated. IR, H NMR, UV-Vis techniques, elemental analyses (CHN) and TG-DTG investigations were used to characterize the structural of charge-transfer complexes. It indicates that the CT interaction was associated with a proton migration from each acceptor to nor or cip donors which followed by appearing intermolecular hydrogen bond. In addition, X-ray investigation was carried out to scrutinize the crystal structure of the resulted CT-complexes.

Electric-dipole-induced universality for Dirac fermions in graphene.

PubMed

De Martino, Alessandro; Klöpfer, Denis; Matrasulov, Davron; Egger, Reinhold

2014-05-09

We study electric dipole effects for massive Dirac fermions in graphene and related materials. The dipole potential accommodates towers of infinitely many bound states exhibiting a universal Efimov-like scaling hierarchy. The dipole moment determines the number of towers, but there is always at least one tower. The corresponding eigenstates show a characteristic angular asymmetry, observable in tunnel spectroscopy. However, charge transport properties inferred from scattering states are highly isotropic.

The adsorption of phloretin to lipid monolayers and bilayers cannot be explained by langmuir adsorption isotherms alone.

PubMed Central

Cseh, R; Benz, R

1998-01-01

Phloretin and its analogs adsorb to the surfaces of lipid monolayers and bilayers and decrease the dipole potential. This reduces the conductance for anions and increases that for cations on artificial and biological membranes. The relationship between the change in the dipole potential and the aqueous concentration of phloretin has been explained previously by a Langmuir adsorption isotherm and a weak and therefore negligible contribution of the dipole-dipole interactions in the lipid surface. We demonstrate here that the Langmuir adsorption isotherm alone is not able to properly describe the effects of dipole molecule binding to lipid surfaces--we found significant deviations between experimental data and the fit with the Langmuir adsorption isotherm. We present here an alternative theoretical treatment that takes into account the strong interaction between membrane (monolayer) dipole field and the dipole moment of the adsorbed molecule. This treatment provides a much better fit of the experimental results derived from the measurements of surface potentials of lipid monolayers in the presence of phloretin. Similarly, the theory provides a much better fit of the phloretin-induced changes in the dipole potential of lipid bilayers, as assessed by the transport kinetics of the lipophilic ion dipicrylamine. PMID:9512036

Changes in earth's dipole.

PubMed

Olson, Peter; Amit, Hagay

2006-11-01

The dipole moment of Earth's magnetic field has decreased by nearly 9% over the past 150 years and by about 30% over the past 2,000 years according to archeomagnetic measurements. Here, we explore the causes and the implications of this rapid change. Maps of the geomagnetic field on the core-mantle boundary derived from ground-based and satellite measurements reveal that most of the present episode of dipole moment decrease originates in the southern hemisphere. Weakening and equatorward advection of normal polarity magnetic field by the core flow, combined with proliferation and growth of regions where the magnetic polarity is reversed, are reducing the dipole moment on the core-mantle boundary. Growth of these reversed flux regions has occurred over the past century or longer and is associated with the expansion of the South Atlantic Anomaly, a low-intensity region in the geomagnetic field that presents a radiation hazard at satellite altitudes. We address the speculation that the present episode of dipole moment decrease is a precursor to the next geomagnetic polarity reversal. The paleomagnetic record contains a broad spectrum of dipole moment fluctuations with polarity reversals typically occurring during dipole moment lows. However, the dipole moment is stronger today than its long time average, indicating that polarity reversal is not likely unless the current episode of moment decrease continues for a thousand years or more.

Symmetric Simple Map with Dipole Map for a Single-Null Divertor Tokamak

NASA Astrophysics Data System (ADS)

Ali, Halima; Watson, Michael; Punjabi, Alkesh; Boozer, Allen

1996-11-01

This investigation focuses on the effects of an externally placed dipole coil on the magnetic topology of a single-null divertor tokamak with a stochastic scrape-off layer using the Method of Maps (Punjabi A, Verma A and Boozer A, Phys Rev Lett), 69, 3322 (1992) and J Plasma Phys, 52, 91 (1994). The unperturbed magnetic topology is represented by the Symmetric Simple Map (Ali H, Watson M, Mayer C, Punjabi A and Boozer A, Bull Am Phys Soc), 40, 1855 (1995). The effect of dipole perturbation is repesented by the Dipole Map (Ali H, Watson M, Punjabi A and Boozer A, Sherwood Mtg), paper 1C20 (1996). A single dipole coil is placed across from the X-point below the last good surface. The strength of the dipole perturbation and the distance of the coil from the last good surface are varied. We observe that the dipole perturbation causes spatially intermittent chaos. This has significant implications for radiative divertor concepts as well for impurity control. We also present the detailed results on the effects of the dipole coil on the properties of the stochastic layer and the footprint of the field lines on the divertor plate. This work is supported by the US DOE OFES.

Indian Ocean Dipolelike Variability in the CSIRO Mark 3 Coupled Climate Model.

NASA Astrophysics Data System (ADS)

Cai, Wenju; Hendon, Harry H.; Meyers, Gary

2005-05-01

Coupled ocean-atmosphere variability in the tropical Indian Ocean is explored with a multicentury integration of the Commonwealth Scientific and Industrial Research Organisation (CSIRO) Mark 3 climate model, which runs without flux adjustment. Despite the presence of some common deficiencies in this type of coupled model, zonal dipolelike variability is produced. During July through November, the dominant mode of variability of sea surface temperature resembles the observed zonal dipole and has out-of-phase rainfall variations across the Indian Ocean basin, which are as large as those associated with the model El Niño-Southern Oscillation (ENSO). In the positive dipole phase, cold SST anomaly and suppressed rainfall south of the equator on the Sumatra-Java coast drives an anticyclonic circulation anomaly that is consistent with the steady response (Gill model) to a heat sink displaced south of the equator. The northwest-southeast tilting Sumatra-Java coast results in cold sea surface temperature (SST) centered south of the equator, which forces anticylonic winds that are southeasterly along the coast, which thus produces local upwelling, cool SSTs, and promotes more anticylonic winds; on the equator, the easterlies raise the thermocline to the east via upwelling Kelvin waves and deepen the off-equatorial thermocline to the west via off-equatorial downwelling Rossby waves. The model dipole mode exhibits little contemporaneous relationship with the model ENSO; however, this does not imply that it is independent of ENSO. The model dipole often (but not always) develops in the year following El Niño. It is triggered by an unrealistic transmission of the model's ENSO discharge phase through the Indonesian passages. In the model, the ENSO discharge Rossby waves arrive at the Sumatra-Java coast some 6 to 9 months after an El Niño peaks, causing the majority of model dipole events to peak in the year after an ENSO warm event. In the observed ENSO discharge, Rossby waves arrive at the Australian northwest coast. Thus the model Indian Ocean dipolelike variability is triggered by an unrealistic mechanism. The result highlights the importance of properly representing the transmission of Pacific Rossby waves and Indonesian throughflow in the complex topography of the Indonesian region in coupled climate models.

QPM Analysis of 205Tl Nuclear Excitations below the Giant Dipole Resonance

NASA Astrophysics Data System (ADS)

Benouaret, N.; Beller, J.; Isaak, J.; Kelley, J. H.; Pai, H.; Pietralla, N.; Ponomarev, V. Yu.; Raut, R.; Romig, C.; Rusev, G.; Savran, D.; Scheck, M.; Schnorrenberger, L.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Zweidinger, M.

2015-05-01

We analysed our experimental recent findings of the dipole response of the odd-mass stable nucleus 205Tl within the quasi-particle phonon model. Using the phonon basis constructed for the neighbouring 204Hg and wave function configurations for 205Tl consisting of a mixture of quasiparticle ⊗ N-phonon configurations (N=0,1,2), only one group of fragmented dipole excited states has been reproduced at 5.5 MeV in comparison to the experimental distribution which shows a second group at about 5 MeV. The computed dipole transition strengths are mainly of E1 character which could be associated to the pygmy dipole resonance.

Spin dephasing in a magnetic dipole field.

PubMed

Ziener, C H; Kampf, T; Reents, G; Schlemmer, H-P; Bauer, W R

2012-05-01

Transverse relaxation by dephasing in an inhomogeneous field is a general mechanism in physics, for example, in semiconductor physics, muon spectroscopy, or nuclear magnetic resonance. In magnetic resonance imaging the transverse relaxation provides information on the properties of several biological tissues. Since the dipole field is the most important part of the multipole expansion of the local inhomogeneous field, dephasing in a dipole field is highly important in relaxation theory. However, there have been no analytical solutions which describe the dephasing in a magnetic dipole field. In this work we give a complete analytical solution for the dephasing in a magnetic dipole field which is valid over the whole dynamic range.

Emission quenching of magnetic dipole transitions near an absorbing nanoparticle (Conference Presentation)

NASA Astrophysics Data System (ADS)

Chigrin, Dmitry N.; Kumar, Deepu; von Plessen, Gero

2016-09-01

Emission quenching is analysed at nanometer distances from the surface of an absorbing nanoparticle. It is demonstrated that emission quenching at small distances to the surface is much weaker for magnetic-dipole (MD) than for electric-dipole (ED) transitions. This difference is explained by the fact that the electric field induced by a magnetic dipole has a weaker distance dependence than the electric field of an electric dipole. It is also demonstrated that in the extreme near-field regime the non-locality of the optical response of the metal results in additional emission quenching for both ED and MD transitions.

Beyond Clausius-Mossotti - Wave propagation on a polarizable point lattice and the discrete dipole approximation. [electromagnetic scattering and absorption by interstellar grains

NASA Technical Reports Server (NTRS)

Draine, B. T.; Goodman, Jeremy

1993-01-01

We derive the dispersion relation for electromagnetic waves propagating on a lattice of polarizable points. From this dispersion relation we obtain a prescription for choosing dipole polarizabilities so that an infinite lattice with finite lattice spacing will mimic a continuum with dielectric constant. The discrete dipole approximation is used to calculate scattering and absorption by a finite target by replacing the target with an array of point dipoles. We compare different prescriptions for determining the dipole polarizabilities. We show that the most accurate results are obtained when the lattice dispersion relation is used to set the polarizabilities.

Continuous millennial decrease of the Earth's magnetic axial dipole

NASA Astrophysics Data System (ADS)

Poletti, Wilbor; Biggin, Andrew J.; Trindade, Ricardo I. F.; Hartmann, Gelvam A.; Terra-Nova, Filipe

2018-01-01

Since the establishment of direct estimations of the Earth's magnetic field intensity in the first half of the nineteenth century, a continuous decay of the axial dipole component has been observed and variously speculated to be linked to an imminent reversal of the geomagnetic field. Furthermore, indirect estimations from anthropologically made materials and volcanic derivatives suggest that this decrease began significantly earlier than direct measurements have been available. Here, we carefully reassess the available archaeointensity dataset for the last two millennia, and show a good correspondence between direct (observatory/satellite) and indirect (archaeomagnetic) estimates of the axial dipole moment creating, in effect, a proxy to expand our analysis back in time. Our results suggest a continuous linear decay as the most parsimonious long-term description of the axial dipole variation for the last millennium. We thus suggest that a break in the symmetry of axial dipole moment advective sources occurred approximately 1100 years earlier than previously described. In addition, based on the observed dipole secular variation timescale, we speculate that the weakening of the axial dipole may end soon.

Pygmy dipole mode in deformed neutron-rich Mg isotopes close to the drip line

NASA Astrophysics Data System (ADS)

Yoshida, Kenichi

2009-10-01

We investigate the microscopic structure of the low-lying isovector-dipole excitation mode in neutron-rich Mg36,38,40 close to the drip line by means of the deformed quasiparticle random-phase approximation employing the Skyrme and the local pairing energy-density functionals. It is found that the low-lying bump structure above the neutron emission-threshold energy develops when the drip line is approached, and that the isovector dipole strength at Ex<10 MeV exhausts about 6.0% of the classical Thomas-Reiche-Kuhn dipole sum rule in Mg40. We obtained the collective dipole modes at around 8-10 MeV in Mg isotopes, that consist of many two-quasiparticle excitations of the neutron. The transition density clearly shows an oscillation of the neutron skin against the isoscalar core. We found significant coupling effects between the dipole and octupole excitation modes due to the nuclear deformation. It is also found that the responses for the compressional dipole and isoscalar octupole excitations are much enhanced in the lower energy region.

News Coverage and Access to Contextual Policy Information in the Case of Recreational Water Rights in Colorado

ERIC Educational Resources Information Center

Crow, Deserai Anderson

2011-01-01

Local news media help shape the agendas from which new policies emerge. Furthermore, local media help determine public understanding of complex issues. Media should inform citizens and policymakers on important policy issues. This study uses a content analysis of 11 newspapers to understand the manner in which reporters covered a specific…

Microfluidic Model Porous Media: Fabrication and Applications.

PubMed

Anbari, Alimohammad; Chien, Hung-Ta; Datta, Sujit S; Deng, Wen; Weitz, David A; Fan, Jing

2018-05-01

Complex fluid flow in porous media is ubiquitous in many natural and industrial processes. Direct visualization of the fluid structure and flow dynamics is critical for understanding and eventually manipulating these processes. However, the opacity of realistic porous media makes such visualization very challenging. Micromodels, microfluidic model porous media systems, have been developed to address this challenge. They provide a transparent interconnected porous network that enables the optical visualization of the complex fluid flow occurring inside at the pore scale. In this Review, the materials and fabrication methods to make micromodels, the main research activities that are conducted with micromodels and their applications in petroleum, geologic, and environmental engineering, as well as in the food and wood industries, are discussed. The potential applications of micromodels in other areas are also discussed and the key issues that should be addressed in the near future are proposed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low level chemiluminescence from liquid culture media.

PubMed

Vogel, R; Süssmuth, R

1999-06-01

Low level chemiluminescence (CL) can be observed from autoclaved liquid culture media, as used in microbiology. The light emission is oxygen-dependent and arises from reactions following auto-oxidation of reducing Maillard products which are formed during autoclaving. The inhibition of this CL by radical scavengers and antioxidants has been studied. As superoxide radicals and hydrogen peroxide are predominantly involved in the initiation of the CL, the investigation of CL from culture media offers a convenient tool for the detection of exogenous (medium-mediated) oxidative stress being imposed onto micro-organisms in culture. Transition metal ions showed, dependent on concentration, both inhibitory and stimulating effects on the CL, which was also affected by the presence of complexing agents. Iron porphyrins and related complexes displayed a very efficient quenching of the CL, which may be of particular importance, as aerobic micro-organisms have been previously shown to be very efficient in quenching the CL from culture media.

Substitution of egg yolk by a cyclodextrin-cholesterol complex allows a reduction of the glycerol concentration into the freezing medium of equine sperm.

PubMed

Blommaert, Didier; Franck, Thierry; Donnay, Isabelle; Lejeune, Jean-Philippe; Detilleux, Johann; Serteyn, Didier

2016-02-01

The aim of this work was to completely replace the egg yolk a classical diluent for freezing equine semen by a cyclodextrin-cholesterol complex. At the same time, the reduction in the glycerol content used for cryopreservation and the incubation time between sperm and the freezing media were evaluated. Horse ejaculates were frozen with four different freezing extenders: a frozen reference medium (IF) containing egg yolk and 2.5% glycerol and media without egg yolk but supplemented with 1.5 mg 2-hydroxypropyl-beta-cyclodextrin cholesterol (HPβCD-C) complex and containing either 1% (G1), 2% (G2) or 3% glycerol (G3). Three incubation times (90, 120 and 180 min) at 4 °C between the fresh semen and the different media were tested before freezing. Viability and motility analyses were performed with computer assisted semen analysis (CASA). Results showed that the freezing media containing the HPβCD-C complex with 1%, 2% and 3% glycerol significantly improve the 3 in vitro parameters of post thawing semen quality (viability, progressive and total mobilities) compared to IF. The best improvement of the parameters was obtained with G1 medium and the longest contact time. The substitution of egg yolk by HPβCD-C complex allows the decrease of protein charge of the medium while favouring the cholesterol supply to membrane spermatozoa offering it a better resistance to osmotic imbalance and a better tolerance to the glycerol toxicity. Our results highlight that the egg yolk of an extender for the freezing of horse semen can be completely substituted by HPβCD-C complex. Copyright © 2015. Published by Elsevier Inc.

Teaching Ion-Ion, Ion-Dipole, and Dipole-Dipole Interactions

ERIC Educational Resources Information Center

Yoder, Claude H.

1977-01-01

Discusses how electrostatic interactions can be taught quantitatively through Coulomb's Law at a variety of points in a chemistry curriculum. Each type of interaction is shown at both the intramolecular and the inter-"molecular" levels. (MR)

Position and Momentum Entanglement of Dipole-Dipole Interacting Atoms in Optical Lattices

NASA Astrophysics Data System (ADS)

Opatrný, T.; Kolář, M.; Kurizki, G.

We consider a possible realization of the position- and momentum-correlated atomic pairs that are confined to adjacent sites of two mutually shifted optical lattices and are entangled via laser-induced dipole-dipole interactions. The Einstein-Podolsky-Rosen (EPR) "paradox" [Einstein 1935] with translational variables is then modified by lattice-diffraction effects. We study a possible mechanism of creating such diatom entangled states by varying the effective mass of the atoms.

Electric dipole moment of the diatomic tif in its higher vibrational states

NASA Astrophysics Data System (ADS)

Nair, K. P. R.; Hoeft, J.

1983-04-01

The electric dipole moment of 205Tl 19F has been measured in its higher vibrational states up to ν = 7 by studying the Statk effect in the J = O → 1 rotational transitions. The variation of the electric dipole moment with vibrational states is discussed. The electric dipole moment can be written as lμ νl = 4.1941 (15) + 0.0681(12) (ν + 1/2) D.

Magnetic dipole strength in 128Xe and 134Xe in the spin-flip resonance region

NASA Astrophysics Data System (ADS)

Massarczyk, R.; Rusev, G.; Schwengner, R.; Dönau, F.; Bhatia, C.; Gooden, M. Â. E.; Kelley, J. Â. H.; Tonchev, A. Â. P.; Tornow, W.

2014-11-01

The magnetic dipole strength in the energy region of the spin-flip resonance is investigated in 128Xe and 134Xe using quasimonoenergetic and linearly polarized γ -ray beams at the High-Intensity γ -Ray Source facility in Durham, North Carolina, USA. Absorption cross sections were deduced for the magnetic and electric and dipole strength distributions separately for various intervals of excitation energy, including the strength of states in the unresolved quasicontinuum. The magnetic dipole strength distributions show structures resembling a resonance in the spin-flip region around an excitation energy of 8 MeV. The electric dipole strength distributions obtained from the present experiments are in agreement with the ones deduced from an earlier experiment using broad-band bremsstrahlung instead of a quasimonoenergetic beam. The experimental magnetic and electric dipole strength distributions are compared with phenomenological approximations and with predictions of a quasiparticle random phase approximation in a deformed basis.

Nonlinear theory of transverse beam echoes

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

Sen, Tanaji; Li, Yuan Shen

Transverse beam echoes can be excited with a single dipole kick followed by a single quadrupole kick. They have been used to measure diffusion in hadron beams and have other diagnostic capabilities. Here we develop theories of the transverse echo nonlinear in both the dipole and quadrupole kick strengths. The theories predict the maximum echo amplitudes and the optimum strength parameters. We find that the echo amplitude increases with smaller beam emittance and the asymptotic echo amplitude can exceed half the initial dipole kick amplitude. We show that multiple echoes can be observed provided the dipole kick is large enough.more » The spectrum of the echo pulse can be used to determine the nonlinear detuning parameter with small amplitude dipole kicks. Simulations are performed to check the theoretical predictions. In the useful ranges of dipole and quadrupole strengths, they are shown to be in reasonable agreement.« less

Local electric dipole moments for periodic systems via density functional theory embedding.

PubMed

Luber, Sandra

2014-12-21

We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within a subsystem-density functional theory based embedding scheme, subset electric dipole moments are derived without any additional localization procedure, both for hybrid and non-hybrid exchange-correlation functionals. This opens the way to a computationally efficient evaluation of local electric dipole moments in (molecular) periodic systems as well as their rigorous splitting into atomic electric dipole moments. As examples, Infrared spectra of liquid ethylene carbonate and dimethyl carbonate are presented, which are commonly employed as solvents in Lithium ion batteries.

Systematics of the electric dipole response in stable tin isotopes

NASA Astrophysics Data System (ADS)

Bassauer, Sergej; von Neumann-Cosel, Peter; Tamii, Atsushi

2018-05-01

The electric dipole is an important property of heavy nuclei. Precise information on the electric dipole response provides information on the electric dipole polarisability which in turn allows to extract important constraints on neutron-skin thickness in heavy nuclei and parameters of the symmetry energy. The tin isotope chain is particularly suited for a systematic study of the dependence of the electric dipole response on neutron excess as it provides a wide mass range of accessible isotopes with little change of the underlying structure. Recently an inelastic proton scattering experiment under forward angles including 0º on 112,116,124Sn was performed at the Research Centre for Nuclear Physics (RCNP), Japan with a focus on the low-energy dipole strength and the polarisability. First results are presented here. Using data from an earlier proton scattering experiment on 120Sn the gamma strength function and level density are determined for this nucleus.

Nonlinear theory of transverse beam echoes

DOE PAGES

Sen, Tanaji; Li, Yuan Shen

2018-02-23

Transverse beam echoes can be excited with a single dipole kick followed by a single quadrupole kick. They have been used to measure diffusion in hadron beams and have other diagnostic capabilities. Here we develop theories of the transverse echo nonlinear in both the dipole and quadrupole kick strengths. The theories predict the maximum echo amplitudes and the optimum strength parameters. We find that the echo amplitude increases with smaller beam emittance and the asymptotic echo amplitude can exceed half the initial dipole kick amplitude. We show that multiple echoes can be observed provided the dipole kick is large enough.more » The spectrum of the echo pulse can be used to determine the nonlinear detuning parameter with small amplitude dipole kicks. Simulations are performed to check the theoretical predictions. In the useful ranges of dipole and quadrupole strengths, they are shown to be in reasonable agreement.« less

Theoretical and observational analysis of spacecraft fields

NASA Technical Reports Server (NTRS)

Neubauer, F. M.; Schatten, K. H.

1972-01-01

In order to investigate the nondipolar contributions of spacecraft magnetic fields a simple magnetic field model is proposed. This model consists of randomly oriented dipoles in a given volume. Two sets of formulas are presented which give the rms-multipole field components, for isotropic orientations of the dipoles at given positions and for isotropic orientations of the dipoles distributed uniformly throughout a cube or sphere. The statistical results for an 8 cu m cube together with individual examples computed numerically show the following features: Beyond about 2 to 3 m distance from the center of the cube, the field is dominated by an equivalent dipole. The magnitude of the magnetic moment of the dipolar part is approximated by an expression for equal magnetic moments or generally by the Pythagorean sum of the dipole moments. The radial component is generally greater than either of the transverse components for the dipole portion as well as for the nondipolar field contributions.

Incipient ferroelectricity of water molecules confined to nano-channels of beryl

NASA Astrophysics Data System (ADS)

Gorshunov, B. P.; Torgashev, V. I.; Zhukova, E. S.; Thomas, V. G.; Belyanchikov, M. A.; Kadlec, C.; Kadlec, F.; Savinov, M.; Ostapchuk, T.; Petzelt, J.; Prokleška, J.; Tomas, P. V.; Pestrjakov, E. V.; Fursenko, D. A.; Shakurov, G. S.; Prokhorov, A. S.; Gorelik, V. S.; Kadyrov, L. S.; Uskov, V. V.; Kremer, R. K.; Dressel, M.

2016-09-01

Water is characterized by large molecular electric dipole moments and strong interactions between molecules; however, hydrogen bonds screen the dipole-dipole coupling and suppress the ferroelectric order. The situation changes drastically when water is confined: in this case ordering of the molecular dipoles has been predicted, but never unambiguously detected experimentally. In the present study we place separate H2O molecules in the structural channels of a beryl single crystal so that they are located far enough to prevent hydrogen bonding, but close enough to keep the dipole-dipole interaction, resulting in incipient ferroelectricity in the water molecular subsystem. We observe a ferroelectric soft mode that causes Curie-Weiss behaviour of the static permittivity, which saturates below 10 K due to quantum fluctuations. The ferroelectricity of water molecules may play a key role in the functioning of biological systems and find applications in fuel and memory cells, light emitters and other nanoscale electronic devices.

Spectral and physicochemical properties of difluoroboranyls containing N,N-dimethylamino group studied by solvatochromic methods

NASA Astrophysics Data System (ADS)

Jędrzejewska, Beata; Grabarz, Anna; Bartkowiak, Wojciech; Ośmiałowski, Borys

2018-06-01

The solvatochromism of the dyes was analyzed based on the four-parameter scale including: polarizability (SP), dipolarity (SdP), acidity (SA) and basicity (SB) parameters by method proposed by Catalán. The change of solvent to more polar caused the red shift of absorption and fluorescence band position. The frequency shifts manifest the change in the dipole moment upon excitation. The ground-state dipole moment of the difluoroboranyls was estimated based on changes in molecular polarization with temperature. Moreover, the Stokes shifts were used to calculate the excited state dipole moments of the dyes. For the calculation, the ground-state dipole moments and Onsager cavity radius were also determined theoretically using density functional theory (DFT). The experimentally determined excited-state dipole moments for the compounds are higher than the corresponding ground-state values. The increase in the dipole moment is described in terms of the nature of the excited state.

Master equation with quantized atomic motion including dipole-dipole interactions

NASA Astrophysics Data System (ADS)

Damanet, François; Braun, Daniel; Martin, John

2016-05-01

We derive a markovian master equation for the internal dynamics of an ensemble of two-level atoms including all effects related to the quantization of their motion. Our equation provides a unifying picture of the consequences of recoil and indistinguishability of atoms beyond the Lamb-Dicke regime on both their dissipative and conservative dynamics, and is relevant for experiments with ultracold trapped atoms. We give general expressions for the decay rates and the dipole-dipole shifts for any motional states, and we find analytical formulas for a number of relevant states (Gaussian states, Fock states and thermal states). In particular, we show that the dipole-dipole interactions and cooperative photon emission can be modulated through the external state of motion. The effects predicted should be experimentally observable with Rydberg atoms. FD would like to thank the F.R.S.-FNRS for financial support. FD is a FRIA Grant holder of the Fonds de la Recherche Scientifique-FNRS.

Dipole Excitation of Soft and Giant Resonances in 132Sn and neighboring unstable nuclei

NASA Astrophysics Data System (ADS)

Boretzky, Konstanze

2006-04-01

The evolution of dipole-strength distributions above the one-neutron threshold was investigated for exotic neutron-rich nuclei in a series of experiments using the electromagnetic projectile excitation at beam energies around 500 MeV/u. For halo nuclei, the large observed dipole strength (shown here for 11Be) is explained within the direct-breakup model to be of non-collective character. For neutron-rich oxygen isotopes, the origin of the observed low-lying strength is concluded to be due to single-particle transitions on theoretical grounds. The dipole strength spectra for 130,132Sn exhibit resonance-like structures observed at energies around 10 MeV exhausting a few percent of the Thomas-Reiche-Kuhn (TRK) sum rule, separated clearly from the dominant Giant Dipole Resonance (GDR). The data agree with predictions for a new dipole mode related to the oscillation of excess neutrons versus the core nucleons ("pygmy resonance").

Low-lying dipole modes in 26,28Ne in the quasiparticle relativistic random phase approximation

NASA Astrophysics Data System (ADS)

Cao, Li-Gang; Ma, Zhong-Yu

2005-03-01

The low-lying isovector dipole strengths in the neutron-rich nuclei 26Ne and 28Ne are investigated in the quasiparticle relativistic random phase approximation. Nuclear ground-state properties are calculated in an extended relativistic mean field theory plus Bardeen-Cooper-Schrieffer (BCS) method where the contribution of the resonant continuum to pairing correlations is properly treated. Numerical calculations are tested in the case of isovector dipole and isoscalar quadrupole modes in the neutron-rich nucleus 22O. It is found that in the present calculation, low-lying isovector dipole strengths at Ex<10MeV in nuclei 26Ne and 26Ne exhaust about 4.9% and 5.8% of the Thomas-Reiche-Kuhn dipole sum rule, respectively. The centroid energy of the low-lying dipole excitation is located at 8.3 MeV in 26Ne and 7.9 MeV in 28Ne.

On the Physical Realizability of Broad-Band Equivalent Circuits for Wire Loop and Dipole Antennas.

DTIC Science & Technology

1979-05-01

found numerically, the task of grouping the poles by eigenmodes is much more difficult. For a complex object where the poles are experimentally . ived...structure is PR or can be made PR, then when all the poles for the structure are grouped the low frequency non -PR character of the higher poles are...the quarter point of the wire, some non -PR results are discovered. These groupings are indicated in Figures 45 through 49. The postulated eigenmode

Crossbar H-mode drift-tube linac design with alternative phase focusing for muon linac

NASA Astrophysics Data System (ADS)

Otani, M.; Futatsukawa, K.; Hasegawa, K.; Kitamura, R.; Kondo, Y.; Kurennoy, S.

2017-07-01

We have developed a Crossbar H-mode (CH) drift-tube linac (DTL) design with an alternative phase focusing (APF) scheme for a muon linac, in order to measure the anomalous magnetic moment and electric dipole moment (EDM) of muons at the Japan Proton Accelerator Research Complex (J-PARC). The CH-DTL accelerates muons from β = v/c = 0.08 to 0.28 at an operational frequency of 324 MHz. The design and results are described in this paper.

Photochemistry in Organized Media.

ERIC Educational Resources Information Center

Fendler, Janos H.

1983-01-01

Describes common artificially produced organized media such as colloids, surfactants, and polymers and their usefulness in studying complex biochemical processes. Discusses selected recent photophysical and photochemical exploitations of these systems, including artificial photosynthesis, in situ generation of colloidal gold and platinum,…

An Insightful Problem Involving the Electromagnetic Radiation from a Pair of Dipoles

ERIC Educational Resources Information Center

Smith, Glenn S.

2010-01-01

The time-average power radiated by a pair of infinitesimal dipoles is examined as their spacing is varied. The results elucidate the effect of the interaction of the dipoles on their radiation. (Contains 4 figures.)

Dipole Relaxation in an Electric Field.

ERIC Educational Resources Information Center

Neumann, Richard M.

1980-01-01

Derives an expression for the orientational entropy of a rigid rod (electric dipole) from Boltzmann's equation. Subsequent application of Newton's second law of motion produces Debye's classical expression for the relaxation of an electric dipole in a viscous medium. (Author/GS)

Devices, systems, and methods for detecting nucleic acids using sedimentation

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

Koh, Chung-Yan; Schaff, Ulrich Y.; Sommer, Gregory J.

Embodiments of the present invention are directed toward devices, systems, and method for conducting nucleic acid purification and quantification using sedimentation. In one example, a method includes generating complexes which bind to a plurality of beads in a fluid sample, individual ones of the complexes comprising a nucleic acid molecule such as DNA or RNA and a labeling agent. The plurality of beads including the complexes may be transported through a density media, wherein the density media has a density lower than a density of the beads and higher than a density of the fluid sample, and wherein the transportingmore » occurs, at least in part, by sedimentation. Signal may be detected from the labeling agents of the complexes.« less

Theory for electric dipole superconductivity with an application for bilayer excitons.

PubMed

Jiang, Qing-Dong; Bao, Zhi-qiang; Sun, Qing-Feng; Xie, X C

2015-07-08

Exciton superfluid is a macroscopic quantum phenomenon in which large quantities of excitons undergo the Bose-Einstein condensation. Recently, exciton superfluid has been widely studied in various bilayer systems. However, experimental measurements only provide indirect evidence for the existence of exciton superfluid. In this article, by viewing the exciton in a bilayer system as an electric dipole, we derive the London-type and Ginzburg-Landau-type equations for the electric dipole superconductors. By using these equations, we discover the Meissner-type effect and the electric dipole current Josephson effect. These effects can provide direct evidence for the formation of the exciton superfluid state in bilayer systems and pave new ways to drive an electric dipole current.

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Destructive interference between electric and toroidal dipole moments in TiO2 cylinders and frustums with coaxial voids

NASA Astrophysics Data System (ADS)

Terekhov, P. D.; Baryshnikova, K. V.; Evlyukhin, A. B.; Shalin, A. S.

2017-11-01

We demonstrate numerically the possibility of multipole interference in the TiO2 (titanium dioxide) microcylinders and microfrustums in the wavelength range 210-300 μm. Resonantly strong destructive interference between toroidal and electric dipole contributions to the scattered field is achieved by a geometry tuning. The toroidal and electric dipole mode overlapping at the resonant wavelength with almost total suppression of the total electric dipole moment is achieved.

On Dipole Moment of Impurity Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Konobeeva, N. N.; Ten, A. V.; Belonenko, M. B.

2017-04-01

Propagation of a two-dimensional electromagnetic pulse in an array of semiconductor carbon nanotubes with impurities is investigated. The parameters of dipole moments of impurities are determined. The Maxwell equation and the equation of motion for dipole polarization are jointly solved. The dynamics of the electromagnetic pulse is examined as a function of the dipole moment. It is shown that taking polarization into account does not have a substantial effect on the propagation process, but alters the optical pulse shape.

Fermion dipole moment and holography

NASA Astrophysics Data System (ADS)

Kulaxizi, Manuela; Rahman, Rakibur

2015-12-01

In the background of a charged AdS black hole, we consider a Dirac particle endowed with an arbitrary magnetic dipole moment. For non-zero charge and dipole coupling of the bulk fermion, we find that the dual boundary theory can be plagued with superluminal modes. Requiring consistency of the dual CFT amounts to constraining the strength of the dipole coupling by an upper bound. We briefly discuss the implications of our results for the physics of holographic non-Fermi liquids.

On equatorially symmetric and antisymmetric geomagnetic secular variation timescales

NASA Astrophysics Data System (ADS)

Amit, Hagay; Coutelier, Maélie; Christensen, Ulrich R.

2018-03-01

It has been suggested that the secular variation (SV) timescales of the geomagnetic field vary as 1 / ℓ (where ℓ is the spherical harmonic degree), except for the dipole. Here we propose that the same scaling law applies for SV timescales defined for different symmetry classes of the geomagnetic field and SV. We decompose the field and its SV into symmetric and antisymmetric parts and show in geomagnetic field models and numerical dynamo simulations that the corresponding SV timescales also vary as 1 / ℓ , again except for the dipole. The time-average antisymmetric/symmetric SV timescales are larger/smaller than the total, respectively. The difference in SV timescales between these two symmetry classes is probably due to different degrees of alignment of the core flow with different magnetic field structures at the core-mantle boundary. The symmetric dipole SV timescale in the recent geomagnetic field and in long-term time-averages from numerical dynamos is below the extrapolated 1 / ℓ curve, whereas before ∼ 1965 the geomagnetic dipole tilt was rather steady and the symmetric dipole SV timescale exceeded the extrapolated 1 / ℓ curve. We hypothesize that the period of nearly steady geomagnetic dipole tilt between 1810-1965 was anomalous for the geodynamo. Overall, the deviation of the dipole SV timescales from the 1 / ℓ curves may indicate that magnetic diffusion contributes to the dipole SV more than it does for higher degrees.

On Geomagnetism and Paleomagnetism

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

1998-01-01

A statistical description of Earth's broad scale, core-source magnetic field has been developed and tested. The description features an expected, or mean, spatial magnetic power spectrum that is neither "flat" nor "while" at any depth, but is akin to spectra advanced by Stevenson and McLeod. This multipole spectrum describes the magnetic energy range; it is not steep enough for Gubbins' magnetic dissipation range. Natural variations of core multipole powers about their mean values are to be expected over geologic time and are described via trial probability distribution functions that neither require nor prohibit magnetic isotropy. The description is thus applicable to core-source dipole and low degree non-dipole fields despite axial dipole anisotropy. The description is combined with main field models of modem satellite and surface geomagnetic measurements to make testable predictions of: (1) the radius of Earth's core, (2) mean paleomagnetic field intensity, and (3) the mean rates and durations of both dipole power excursions and durable axial dipole reversals. The predicted core radius is 0.7% above the 3480 km seismologic value. The predicted root mean square paleointensity (35.6 mu T) and mean Virtual Axial Dipole Moment (about 6.2 lx 1022 Am(exp 2)) are within the range of various mean paleointensity estimates. The predicted mean rate of dipole power excursions, as defined by an absolute dipole moment <20% of the 1980 value, is 9.04/Myr and 14% less than obtained by analysis of a 4 Myr paleointensity record. The predicted mean rate of durable axial dipole reversals (2.26/Myr) is 2.3% more than established by the polarity time-scale for the past 84 Myr. The predicted mean duration of axial dipole reversals (5533 yr) is indistinguishable from an observational value. The accuracy of these predictions demonstrates the power and utility of the description, which is thought to merit further development and testing. It is suggested that strong stable stratification of Earth's uppermost outer core leads to a geologically long interval of no dipole reversals and a very nearly axisymmetric field outside the core. Statistical descriptions of other planetary magnetic fields are outlined.

QTAIM charge-charge flux-dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives.

PubMed

Silva, Arnaldo F; da Silva, João V; Haiduke, R L A; Bruns, Roy E

2011-11-17

Infrared fundamental vibrational intensities and quantum theory atoms in molecules (QTAIM) charge-charge flux-dipole flux (CCFDF) contributions to the polar tensors of the fluorochloromethanes have been calculated at the QCISD/cc-pVTZ level. A root-mean-square error of 20.0 km mol(-1) has been found compared to an experimental error estimate of 14.4 and 21.1 km mol(-1) for MP2/6-311++G(3d,3p) results. The errors in the QCISD polar tensor elements and mean dipole moment derivatives are 0.059 e when compared with the experimental values. Both theoretical levels provide results showing that the dynamical charge and dipole fluxes provide significant contributions to the mean dipole moment derivatives and tend to be of opposite signs canceling one another. Although the experimental mean dipole moment derivative values suggest that all the fluorochloromethane molecules have electronic structures consistent with a simple electronegativity model with transferable atomic charges for their terminal atoms, the QTAIM/CCFDF models confirm this only for the fluoromethanes. Whereas the fluorine atom does not suffer a saturation effect in its capacity to drain electronic charge from carbon atoms that are attached to other fluorine and chlorine atoms, the zero flux electronic charge of the chlorine atom depends on the number and kind of the other substituent atoms. Both the QTAIM carbon charges (r = 0.990) and mean dipole moment derivatives (r = 0.996) are found to obey Siegbahn's potential model for carbon 1s electron ionization energies at the QCISD/cc-pVTZ level. The latter is a consequence of the carbon mean derivatives obeying the electronegativity model and not necessarily to their similarities with atomic charges. Atomic dipole contributions to the neighboring atom electrostatic potentials of the fluorochloromethanes are found to be of comparable size to the atomic charge contributions and increase the accuracy of Siegbahn's model for the QTAIM charge model results. Substitution effects of the hydrogen, fluorine, and chlorine atoms on the charge and dipole flux QTAIM contributions are found to be additive for the mean dipole derivatives of the fluorochloromethanes.

Media-Smart Youth: Eat, Think, and Be Active! A Workshop Curriculum for Youth Ages 11 to 13. Guide for Training Program Facilitators

ERIC Educational Resources Information Center

Shriver, Eunice Kennedy

2008-01-01

The Media-Smart Youth: Eat, Think, and Be Active! program is an engaging curriculum that helps young people understand the complex media world around them so they can make thoughtful decisions about issues important to their health, specifically nutrition and physical activity. This training guide was developed in response to the requests of…

ULTRASONIC STUDIES OF THE FUNDAMENTAL MECHANISMS OF RECRYSTALLIZATION AND SINTERING OF METALS

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

TURNER, JOSEPH A.

2005-11-30

The purpose of this project was to develop a fundamental understanding of the interaction of an ultrasonic wave with complex media, with specific emphases on recrystallization and sintering of metals. A combined analytical, numerical, and experimental research program was implemented. Theoretical models of elastic wave propagation through these complex materials were developed using stochastic wave field techniques. The numerical simulations focused on finite element wave propagation solutions through complex media. The experimental efforts were focused on corroboration of the models developed and on the development of new experimental techniques. The analytical and numerical research allows the experimental results to bemore » interpreted quantitatively.« less

Toxin activity assays, devices, methods and systems therefor

DOEpatents

Koh, Chung-Yan; Schaff, Ulrich Y.; Sommer, Gregory Jon

2016-04-05

Embodiments of the present invention are directed toward devices, system and method for conducting toxin activity assay using sedimentation. The toxin activity assay may include generating complexes which bind to a plurality of beads in a fluid sample. The complexes may include a target toxin and a labeling agent, or may be generated due to presence of active target toxin and/or labeling agent designed to be incorporated into complexes responsive to the presence of target active toxin. The plurality of beads including the complexes may be transported through a density media, wherein the density media has a lower density than a density of the beads and higher than a density of the fluid sample, and wherein the transporting occurs, at least in part, by sedimentation. Signal may be detected from the labeling agents of the complexes.

Spectrophotometric study of the charge-transfer and ion-pair complexation of methamphetamine with some acceptors

NASA Astrophysics Data System (ADS)

Shahdousti, Parvin; Aghamohammadi, Mohammad; Alizadeh, Naader

2008-04-01

The charge-transfer (CT) complexes of methamphetamine (MPA) as a n-donor with several acceptors including bromocresolgreen (BCG), bromocresolpurple (BCP), chlorophenolred (CPR), picric acid (PIC), and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) have been studied spectrophotometrically in chloroform solutions in order to obtain some information about their stoichiometry and stability of complexation. The oscillator strengths, transition dipole moments and resonance energy of the complex in the ground state for all complexes have been calculated. Vertical ionization potential of MPA and electron affinity of acceptors were determined by ab initio calculation. The acceptors were also used to utilize a simple and sensitive extraction-spectrophotometric method for the determination of MPA. The method is based on the formation of 1:1 ion-pair association complexes of MPA with BCG, BCP and PIC in chloroform medium. Beer's plots were obeyed in a general concentration range of 0.24-22 μg ml -1 for the investigated drug with different acceptors. The proposed methods were applied successfully for the determination of MAP in pure and abuse drug with good accuracy and precision.

Charge-transfer complexes of sulfamethoxazole drug with different classes of acceptors

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; El-Korashy, Sabry A.; El-Deen, Ibrahim M.; El-Sayed, Shaima M.

2010-09-01

The charge-transfer complexes of the donor sulfamethoxazole (SZ) with iodine (I 2), 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), p-chloranil (CHL) and picric acid (PA) have been studied spectrophotometrically in chloroform or methanol at room temperature using absorption spectrophotometer. The results indicate that formation of CT-complexes in case of four acceptors. The stoichiometry of the complexes was found to be 1:1 ratio by molar ratio method between donor and acceptor with maximum absorption bands (CT band). The data are discussed in terms of formation constant ( KCT), molar extinction coefficient ( ɛCT), standard free energy (Δ G°), oscillator strength (ƒ), transition dipole moment ( μ), resonance energy ( RN) and ionization potential ( ID). The results indicate that the formation constant ( KCT) for the complexes were shown to be dependent upon the nature of electron acceptor, donor and polarity of solvents which were used. IR, 1H NMR, mass spectra, UV-Vis techniques, elemental analyses (CHN) and TG-DTG investigation were used to characterize the four sulfamethoxazole charge-transfer complexes.

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

PubMed

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.

Comparison of different sets of array configurations for multichannel 2D ERT acquisition

NASA Astrophysics Data System (ADS)

Martorana, R.; Capizzi, P.; D'Alessandro, A.; Luzio, D.

2017-02-01

Traditional electrode arrays such Wenner-Schlumberger or dipole-dipole are still widely used thanks to their well-known properties but the array configurations are generally not optimized for multi-channel resistivity measures. Synthetic datasets relating to four different arrays, dipole-dipole (DD), pole-dipole (PD), Wenner-Schlumberger (WS) and a modified version of multiple gradient (MG), have been made for a systematic comparison between 2D resistivity models and their inverted images. Different sets of array configurations generated from simple combinations of geometric parameters (potential dipole lengths and dipole separation factors) were tested with synthetic and field data sets, even considering the influence of errors and the acquisition velocity. The purpose is to establish array configurations capable to provide reliable results but, at the same time, not involving excessive survey costs, even linked to the acquiring time and therefore to the number of current dipoles used. For DD, PD and WS arrays a progression of different datasets were considered increasing the number of current dipoles trying to get about the same amount of measures. A multi-coverage MG array configuration is proposed by increasing the lateral coverage and so the number of current dipoles. Noise simulating errors both on the electrode positions and on the electric potential was added. The array configurations have been tested on field data acquired in the landfill site of Bellolampo (Palermo, Italy), to detect and locate the leachate plumes and to identify the HDPE bottom of the landfill. The inversion results were compared using a quantitative analysis of data misfit, relative model resolution and model misfit. The results show that the trends of the first two parameters are linked on the array configuration and that a cumulative analysis of these parameters can help to choose the best array configuration in order to obtain a good resolution and reliability of a survey, according to generally short acquisition times.

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment.

PubMed

Liu, Hanchao; Wang, Yimin; Bowman, Joel M

2015-05-21

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H2O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0-4000 cm(-1) is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

NASA Astrophysics Data System (ADS)

Liu, Hanchao; Wang, Yimin; Bowman, Joel M.

2015-05-01

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H2O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0-4000 cm-1 is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

Self-force on an electric dipole in the spacetime of a cosmic string

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

Muniz, C.R., E-mail: celiomuniz@yahoo.com; Bezerra, V.B., E-mail: valdir@ufpb.br

2014-01-15

We calculate the electrostatic self-force on an electric dipole in the spacetime generated by a static, thin, infinite and straight cosmic string. The electric dipole is held fixed in different configurations, namely, parallel, perpendicular to the cosmic string and oriented along the azimuthal direction around this topological defect, which is stretched along the z axis. We show that the self-force is equivalent to an interaction of the electric dipole with an effective dipole moment which depends on the linear mass density of the cosmic string and on the configuration. The plots of the self-forces as functions of the parameter whichmore » determines the angular deficit of the cosmic string are shown for those different configurations. -- Highlights: •Review of regularized Green’s function applied to the problem. •Self-force on an electric dipole in the string spacetime for some orientations. •Representation via graphs of the self-forces versus angular parameter of the cosmic string. •Self-force induced by the string seen as an interaction between two dipoles. •Discussion about the superposition principle in this non-trivial background.« less

Localization of heart vectors produced by epicardial burns and ectopic stimuli; validation of a dipole ranging method.

PubMed

Ideker, R E; Bandura, J P; Larsen, R A; Cox, J W; Keller, F W; Brody, D A

1975-01-01

Location of the equivalent cardiac dipole has been estimated but not fully verified in several laboratories. To test the accuracy of such a procedure, injury vectors were produced in 14 isolated, perfused rabbit hearts by epicardial searing. Strongly dipolar excitation fronts were produced in 6 additional hearts by left ventricular pacing. Twenty computer-processed signals, derived from surface electrodes on a spherical electrolyte-filled tank containing the test preparation, were optimally fitted with a locatable cardiac dipole that accounted for over 99% of the root-mean-square surface potential. For the 14 burns (mean radius 5.0 mm), the S-T injury dipole was located 3.4 plus or minus 0.7 (SD) mm from the burn center. For the 6 paced hearts, the dipole early in the ectopic beat was located 3.7 mm (range 2.6 to 4.6 mm) from the stimulating electrode. Phase inhomogeneities within the chamber appeared to have a small but predictable effect on dipole site determination. The study demonstrates that equivalent dipole location can be determined with acceptable accuracy from potential measurements of the external cardiac field.

The realization of the dipole (γ, γ) method and its application to determine the absolute optical oscillator strengths of helium.

PubMed

Xu, Long-Quan; Liu, Ya-Wei; Kang, Xu; Ni, Dong-Dong; Yang, Ke; Hiraoka, Nozomu; Tsuei, Ku-Ding; Zhu, Lin-Fan

2015-12-17

The dipole (γ, γ) method, which is the inelastic x-ray scattering operated at a negligibly small momentum transfer, is proposed and realized to determine the absolute optical oscillator strengths of the vanlence-shell excitations of atoms and molecules. Compared with the conventionally used photoabsorption method, this new method is free from the line saturation effect, which can seriously limit the accuracies of the measured photoabsorption cross sections for discrete transitions with narrow natural linewidths. Furthermore, the Bethe-Born conversion factor of the dipole (γ, γ) method varies much more slowly with the excitation energy than does that of the dipole (e, e) method. Absolute optical oscillator strengths for the excitations of 1s(2) → 1 snp(n = 3-7) of atomic helium have been determined using the high-resolution dipole (γ, γ) method, and the excellent agreement of the present measurements with both those measured by the dipole (e, e) method and the previous theoretical calculations indicates that the dipole (γ, γ) method is a powerful tool to measure the absolute optical oscillator strengths of the valence-shell excitations of atoms and molecules.

A 100J-level nanosecond pulsed DPSSL for pumping high-efficiency, high-repetition rate PW-class lasers

NASA Astrophysics Data System (ADS)

De Vido, M.; Ertel, K.; Mason, P. D.; Banerjee, S.; Phillips, P. J.; Smith, J. M.; Butcher, T. J.; Chekhlov, O.; Divoky, M.; Pilar, J.; Hooker, C.; Shaikh, W.; Lucianetti, A.; Hernandez-Gomez, C.; Mocek, T.; Edwards, C.; Collier, J. L.

2017-02-01

In this paper, we review the development, at the STFC's Central Laser Facility (CLF), of high energy, high repetition rate diode-pumped solid-state laser (DPSSL) systems based on cryogenically-cooled multi-slab ceramic Yb:YAG. Up to date, two systems have been completed, namely the DiPOLE prototype and the DiPOLE100 system. The DiPOLE prototype has demonstrated amplification of nanosecond pulses in excess of 10 J at 10 Hz repetition rate with an opticalto- optical efficiency of 22%. The larger scale DiPOLE100 system, designed to deliver 100J temporally-shaped nanosecond pulses at 10 Hz repetition rate, has been developed at the CLF for the HiLASE project in the Czech Republic. Recent experiments conducted on the DiPOLE100 system demonstrated the energy scalability of the DiPOLE concept to the 100 J pulse energy level. Furthermore, second harmonic generation experiments carried out on the DiPOLE prototype confirmed the suitability of DiPOLE-based systems for pumping high repetition rate PW-class laser systems based on Ti:sapphire or optical parametric chirped pulse amplification (OPCPA) technology.

Driven assembly with multiaxial fields: Creating a soft mode in assemblies of anisometric induced dipoles

DOE PAGES

Martin, James E.; Swol, Frank Van

2015-07-10

We show that multiaxial fields can induce time-averaged, noncentrosymmetric interactions between particles having polarization anisotropy, yet the multiaxial field itself does not exert either a force or a torque on an isolated particle. These induced interactions lead to particle assemblies whose energy is strongly dependent on both the translational and orientational degrees of freedom of the system. The situation is similar to a collection of permanent dipoles, but the symmetry of the time-averaged interaction is quite distinct, and the scale of the system energy can be dynamically controlled by the magnitude of the applied multiaxial field. In our paper, themore » case of polarizable rods is considered in detail, and it is suggested that collections of rods embedded in spheres can be used to create a material with a dynamically tunable magnetic permeability or dielectric permittivity. We report on Monte Carlo simulations performed to investigate the behavior of assemblies of both multiaxial-field induced dipoles and permanent dipoles arranged onto two-dimensional lattices. Lastly, the ground state of the induced dipoles is an orientational soft mode of aligned dipoles, whereas that of the permanent dipoles is a vortex state.« less

Beyond the Boost: Measuring the Intrinsic Dipole of the Cosmic Microwave Background Using the Spectral Distortions of the Monopole and Quadrupole.

PubMed

Yasini, Siavash; Pierpaoli, Elena

2017-12-01

We present a general framework for the accurate spectral modeling of the low multipoles of the cosmic microwave background (CMB) as observed in a boosted frame. In particular, we demonstrate how spectral measurements of the low multipoles can be used to separate the motion-induced dipole of the CMB from a possible intrinsic dipole component. In a moving frame, the leakage of an intrinsic dipole moment into the CMB monopole and quadrupole induces spectral distortions with distinct frequency functions that, respectively, peak at 337 and 276 GHz. The leakage into the quadrupole moment also induces a geometrical distortion to the spatial morphology of this mode. The combination of these effects can be used to lift the degeneracy between the motion-induced dipole and any intrinsic dipole that the CMB might possess. Assuming the current peculiar velocity measurements, the leakage of an intrinsic dipole with an amplitude of ΔT=30  μK into the monopole and quadrupole moments will be detectable by a PIXIE-like experiment at ∼40  nK (2.5σ) and ∼130  nK (11σ) level at their respective peak frequencies.

MULTIPHASE FLOW AND TRANSPORT IN POROUS MEDIA

EPA Science Inventory

Multiphase flow and transport of compositionally complex fluids in geologic media is of importance in a number of applied problems which have major social and economic effects. n petroleum reservoir engineering efficient recovery of energy reserves is the principal goal. nfortuna...

Electric dipole moment of the electron and of the neutron

NASA Technical Reports Server (NTRS)

Barr, S. M.; Zee, A.

1990-01-01

It is shown that if Higgs-boson exchange mediates CP violation a significant electric dipole moment for the electron can result. Analogous effects can contribute to the neutron's electric dipole moment at a level competitive with Weinberg's three-gluon operator.

Proposal for Translational Entanglement of Dipole-Dipole Interacting Atoms in Optical Lattices

NASA Astrophysics Data System (ADS)

Opatrný, Tomáš; Deb, Bimalendu; Kurizki, Gershon

2003-06-01

We propose and investigate a realization of the position- and momentum-correlated Einstein-Podolsky-Rosen (EPR) states [

Frequency shifts of an electric-dipole resonance near a conducting surface

NASA Technical Reports Server (NTRS)

Holland, W. R.; Hall, D. G.

1984-01-01

The resonance frequency of an electric dipole placed near a conducting surface is shifted by the dipole-surface interaction. The observation and measurement of these shifts at optical frequencies is reported for an experimental system that consists of a metal-island film spaced a distance d from a continuous Ag film. The dependence of the shift in the frequency of the island resonance on d shows good agreement with that predicted by a classical theory of the dipole-surface interaction.

Dipole and quadrupole synthesis of electric potential fields. M.S. Thesis

NASA Technical Reports Server (NTRS)

Tilley, D. G.

1979-01-01

A general technique for expanding an unknown potential field in terms of a linear summation of weighted dipole or quadrupole fields is described. Computational methods were developed for the iterative addition of dipole fields. Various solution potentials were compared inside the boundary with a more precise calculation of the potential to derive optimal schemes for locating the singularities of the dipole fields. Then, the problem of determining solutions to Laplace's equation on an unbounded domain as constrained by pertinent electron trajectory data was considered.